data_15423_sparta save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15423 _Entry.PDB_ID 2JTY _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 20 _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 3 3 THR H H 3 8.300 7.988 0.312 1 1 2 . 1 1 1 A 3 3 THR HA H 3 4.410 3.892 0.518 1 1 7 . 1 1 1 A 3 3 THR C C 3 174.700 172.922 1.778 1 1 8 . 1 1 1 A 3 3 THR CA C 3 61.600 62.476 -0.876 1 1 9 . 1 1 1 A 3 3 THR CB C 3 69.900 66.960 2.940 1 1 11 . 1 1 1 A 3 3 THR N N 3 114.000 108.736 5.264 1 1 12 . 1 1 1 A 4 4 THR H H 4 8.230 7.798 0.432 1 1 13 . 1 1 1 A 4 4 THR HA H 4 4.420 4.660 -0.240 1 1 18 . 1 1 1 A 4 4 THR C C 4 174.600 172.948 1.652 1 1 19 . 1 1 1 A 4 4 THR CA C 4 61.600 60.041 1.559 1 1 20 . 1 1 1 A 4 4 THR CB C 4 70.000 71.419 -1.419 1 1 22 . 1 1 1 A 4 4 THR N N 4 116.800 114.503 2.297 1 1 23 . 1 1 1 A 5 5 VAL H H 5 8.280 8.630 -0.350 1 1 24 . 1 1 1 A 5 5 VAL HA H 5 4.130 4.201 -0.071 1 1 26 . 1 1 1 A 5 5 VAL C C 5 176.100 175.837 0.263 1 1 27 . 1 1 1 A 5 5 VAL CA C 5 62.400 63.532 -1.132 1 1 28 . 1 1 1 A 5 5 VAL CB C 5 32.800 30.700 2.100 1 1 30 . 1 1 1 A 5 5 VAL N N 5 122.500 123.709 -1.209 1 1 31 . 1 1 1 A 6 6 ASN H H 6 8.610 8.899 -0.289 1 1 32 . 1 1 1 A 6 6 ASN HA H 6 4.710 4.555 0.155 1 1 37 . 1 1 1 A 6 6 ASN C C 6 175.800 175.794 0.006 1 1 38 . 1 1 1 A 6 6 ASN CA C 6 53.400 55.092 -1.692 1 1 39 . 1 1 1 A 6 6 ASN CB C 6 38.900 39.605 -0.705 1 1 40 . 1 1 1 A 6 6 ASN N N 6 122.600 123.281 -0.681 1 1 42 . 1 1 1 A 7 7 GLY H H 7 8.450 7.603 0.847 1 1 43 . 1 1 1 A 7 7 GLY C C 7 174.800 173.733 1.067 1 1 44 . 1 1 1 A 7 7 GLY CA C 7 45.600 45.735 -0.135 1 1 45 . 1 1 1 A 7 7 GLY N N 7 109.700 105.906 3.794 1 1 46 . 1 1 1 A 8 8 GLY H H 8 8.280 8.501 -0.221 1 1 47 . 1 1 1 A 8 8 GLY HA2 H 8 3.960 4.181 -0.221 1 1 48 . 1 1 1 A 8 8 GLY HA3 H 8 4.030 4.262 -0.232 1 1 49 . 1 1 1 A 8 8 GLY C C 8 174.200 172.621 1.579 1 1 50 . 1 1 1 A 8 8 GLY CA C 8 45.200 44.733 0.467 1 1 51 . 1 1 1 A 8 8 GLY N N 8 108.500 110.527 -2.027 1 1 52 . 1 1 1 A 9 9 THR H H 9 8.100 8.446 -0.346 1 1 53 . 1 1 1 A 9 9 THR HA H 9 4.320 4.486 -0.166 1 1 58 . 1 1 1 A 9 9 THR C C 9 174.500 174.211 0.289 1 1 59 . 1 1 1 A 9 9 THR CA C 9 62.000 61.150 0.850 1 1 60 . 1 1 1 A 9 9 THR CB C 9 69.900 68.693 1.207 1 1 62 . 1 1 1 A 9 9 THR N N 9 114.300 114.936 -0.636 1 1 63 . 1 1 1 A 10 10 VAL H H 10 8.170 8.798 -0.628 1 1 64 . 1 1 1 A 10 10 VAL HA H 10 4.040 3.649 0.391 1 1 72 . 1 1 1 A 10 10 VAL C C 10 175.600 176.114 -0.514 1 1 73 . 1 1 1 A 10 10 VAL CA C 10 62.200 62.795 -0.595 1 1 74 . 1 1 1 A 10 10 VAL CB C 10 32.800 30.204 2.596 1 1 77 . 1 1 1 A 10 10 VAL N N 10 122.900 125.754 -2.854 1 1 78 . 1 1 1 A 11 11 HIS H H 11 8.420 8.002 0.418 1 1 79 . 1 1 1 A 11 11 HIS HA H 11 4.670 4.563 0.107 1 1 84 . 1 1 1 A 11 11 HIS CA C 11 55.700 55.515 0.185 1 1 85 . 1 1 1 A 11 11 HIS CB C 11 30.500 29.558 0.942 1 1 88 . 1 1 1 A 11 11 HIS N N 11 123.300 120.090 3.210 1 1 89 . 1 1 1 A 12 12 PHE H H 12 8.310 7.782 0.528 1 1 90 . 1 1 1 A 12 12 PHE HA H 12 4.620 4.838 -0.218 1 1 94 . 1 1 1 A 12 12 PHE C C 12 175.500 174.709 0.791 1 1 95 . 1 1 1 A 12 12 PHE CA C 12 57.700 56.304 1.396 1 1 96 . 1 1 1 A 12 12 PHE CB C 12 39.900 42.671 -2.771 1 1 100 . 1 1 1 A 12 12 PHE N N 12 122.300 119.284 3.016 1 1 101 . 1 1 1 A 13 13 LYS H H 13 8.450 8.716 -0.266 1 1 102 . 1 1 1 A 13 13 LYS HA H 13 4.230 4.753 -0.523 1 1 107 . 1 1 1 A 13 13 LYS C C 13 176.600 177.225 -0.625 1 1 108 . 1 1 1 A 13 13 LYS CA C 13 56.500 55.395 1.105 1 1 109 . 1 1 1 A 13 13 LYS CB C 13 32.900 32.935 -0.035 1 1 113 . 1 1 1 A 13 13 LYS N N 13 124.300 124.195 0.105 1 1 114 . 1 1 1 A 14 14 GLY H H 14 7.940 8.527 -0.587 1 1 115 . 1 1 1 A 14 14 GLY HA2 H 14 3.860 3.945 -0.085 1 1 116 . 1 1 1 A 14 14 GLY HA3 H 14 3.920 3.948 -0.028 1 1 117 . 1 1 1 A 14 14 GLY C C 14 173.800 174.245 -0.445 1 1 118 . 1 1 1 A 14 14 GLY CA C 14 45.200 47.326 -2.126 1 1 119 . 1 1 1 A 14 14 GLY N N 14 109.800 109.469 0.331 1 1 120 . 1 1 1 A 15 15 GLU H H 15 8.220 7.661 0.559 1 1 121 . 1 1 1 A 15 15 GLU HA H 15 4.290 4.695 -0.405 1 1 126 . 1 1 1 A 15 15 GLU C C 15 176.400 175.000 1.400 1 1 127 . 1 1 1 A 15 15 GLU CA C 15 56.500 54.845 1.655 1 1 128 . 1 1 1 A 15 15 GLU CB C 15 30.500 30.881 -0.381 1 1 130 . 1 1 1 A 15 15 GLU N N 15 120.600 114.607 5.993 1 1 131 . 1 1 1 A 16 16 VAL H H 16 8.300 8.349 -0.049 1 1 132 . 1 1 1 A 16 16 VAL HA H 16 4.110 4.079 0.031 1 1 140 . 1 1 1 A 16 16 VAL C C 16 176.000 176.632 -0.632 1 1 141 . 1 1 1 A 16 16 VAL CA C 16 62.300 61.566 0.734 1 1 142 . 1 1 1 A 16 16 VAL CB C 16 32.900 30.289 2.611 1 1 145 . 1 1 1 A 16 16 VAL N N 16 122.100 119.087 3.013 1 1 146 . 1 1 1 A 17 17 VAL H H 17 8.290 7.945 0.345 1 1 147 . 1 1 1 A 17 17 VAL HA H 17 4.110 4.062 0.048 1 1 149 . 1 1 1 A 17 17 VAL C C 17 175.500 174.673 0.827 1 1 150 . 1 1 1 A 17 17 VAL CA C 17 62.000 61.534 0.466 1 1 151 . 1 1 1 A 17 17 VAL CB C 17 32.800 31.024 1.776 1 1 153 . 1 1 1 A 17 17 VAL N N 17 124.800 123.502 1.298 1 1 154 . 1 1 1 A 18 18 ASN H H 18 8.470 7.956 0.514 1 1 155 . 1 1 1 A 18 18 ASN HA H 18 4.710 5.325 -0.615 1 1 160 . 1 1 1 A 18 18 ASN C C 18 174.100 174.044 0.056 1 1 161 . 1 1 1 A 18 18 ASN CA C 18 52.800 52.224 0.576 1 1 162 . 1 1 1 A 18 18 ASN CB C 18 39.000 39.901 -0.901 1 1 163 . 1 1 1 A 18 18 ASN N N 18 123.200 120.921 2.279 1 1 165 . 1 1 1 A 19 19 ALA H H 19 8.140 8.427 -0.287 1 1 166 . 1 1 1 A 19 19 ALA HA H 19 4.080 4.403 -0.323 1 1 170 . 1 1 1 A 19 19 ALA C C 19 178.000 177.636 0.364 1 1 171 . 1 1 1 A 19 19 ALA CA C 19 51.700 50.546 1.154 1 1 172 . 1 1 1 A 19 19 ALA CB C 19 20.300 20.849 -0.549 1 1 173 . 1 1 1 A 19 19 ALA N N 19 123.400 127.394 -3.994 1 1 174 . 1 1 1 A 20 20 ALA H H 20 6.480 7.558 -1.078 1 1 175 . 1 1 1 A 20 20 ALA HA H 20 3.710 3.821 -0.111 1 1 179 . 1 1 1 A 20 20 ALA C C 20 176.000 177.351 -1.351 1 1 180 . 1 1 1 A 20 20 ALA CA C 20 54.700 54.551 0.149 1 1 181 . 1 1 1 A 20 20 ALA CB C 20 21.000 18.030 2.970 1 1 182 . 1 1 1 A 20 20 ALA N N 20 120.900 124.050 -3.150 1 1 183 . 1 1 1 A 21 21 CYS H H 21 6.330 7.567 -1.237 1 1 184 . 1 1 1 A 21 21 CYS HA H 21 4.780 5.075 -0.295 1 1 187 . 1 1 1 A 21 21 CYS C C 21 172.500 173.452 -0.952 1 1 188 . 1 1 1 A 21 21 CYS CA C 21 53.100 54.900 -1.800 1 1 189 . 1 1 1 A 21 21 CYS CB C 21 50.500 46.224 4.276 1 1 190 . 1 1 1 A 21 21 CYS N N 21 107.800 113.850 -6.050 1 1 191 . 1 1 1 A 22 22 ALA H H 22 8.910 8.391 0.519 1 1 192 . 1 1 1 A 22 22 ALA HA H 22 4.770 4.488 0.282 1 1 196 . 1 1 1 A 22 22 ALA C C 22 176.800 177.098 -0.298 1 1 197 . 1 1 1 A 22 22 ALA CA C 22 50.600 51.623 -1.023 1 1 198 . 1 1 1 A 22 22 ALA CB C 22 21.600 19.274 2.326 1 1 199 . 1 1 1 A 22 22 ALA N N 22 123.900 124.899 -0.999 1 1 200 . 1 1 1 A 23 23 VAL H H 23 8.820 7.975 0.845 1 1 201 . 1 1 1 A 23 23 VAL HA H 23 4.100 3.938 0.162 1 1 209 . 1 1 1 A 23 23 VAL C C 23 176.500 175.058 1.442 1 1 210 . 1 1 1 A 23 23 VAL CA C 23 63.700 63.050 0.650 1 1 211 . 1 1 1 A 23 23 VAL CB C 23 31.500 30.516 0.984 1 1 214 . 1 1 1 A 23 23 VAL N N 23 123.600 117.697 5.903 1 1 215 . 1 1 1 A 24 24 ASP H H 24 8.660 8.337 0.323 1 1 216 . 1 1 1 A 24 24 ASP HA H 24 4.310 4.447 -0.137 1 1 219 . 1 1 1 A 24 24 ASP C C 24 177.600 177.806 -0.206 1 1 220 . 1 1 1 A 24 24 ASP CA C 24 56.100 54.921 1.179 1 1 221 . 1 1 1 A 24 24 ASP CB C 24 44.700 42.490 2.210 1 1 222 . 1 1 1 A 24 24 ASP N N 24 128.000 127.188 0.812 1 1 223 . 1 1 1 A 25 25 ALA H H 25 8.870 8.933 -0.063 1 1 224 . 1 1 1 A 25 25 ALA HA H 25 4.150 4.023 0.127 1 1 228 . 1 1 1 A 25 25 ALA C C 25 180.200 179.097 1.103 1 1 229 . 1 1 1 A 25 25 ALA CA C 25 55.800 55.367 0.433 1 1 230 . 1 1 1 A 25 25 ALA CB C 25 18.700 18.268 0.432 1 1 231 . 1 1 1 A 25 25 ALA N N 25 127.900 127.972 -0.072 1 1 232 . 1 1 1 A 26 26 GLY H H 26 8.700 8.393 0.307 1 1 233 . 1 1 1 A 26 26 GLY HA2 H 26 4.170 3.996 0.174 1 1 234 . 1 1 1 A 26 26 GLY HA3 H 26 3.850 3.998 -0.148 1 1 235 . 1 1 1 A 26 26 GLY C C 26 175.100 174.581 0.519 1 1 236 . 1 1 1 A 26 26 GLY CA C 26 46.200 45.892 0.308 1 1 237 . 1 1 1 A 26 26 GLY N N 26 105.300 105.965 -0.665 1 1 238 . 1 1 1 A 27 27 SER H H 27 8.300 8.172 0.128 1 1 239 . 1 1 1 A 27 27 SER HA H 27 4.910 4.872 0.038 1 1 242 . 1 1 1 A 27 27 SER C C 27 174.600 175.978 -1.378 1 1 243 . 1 1 1 A 27 27 SER CA C 27 59.300 59.370 -0.070 1 1 244 . 1 1 1 A 27 27 SER CB C 27 65.700 66.052 -0.352 1 1 245 . 1 1 1 A 27 27 SER N N 27 113.400 114.845 -1.445 1 1 246 . 1 1 1 A 28 28 VAL H H 28 7.290 8.380 -1.090 1 1 247 . 1 1 1 A 28 28 VAL HA H 28 4.070 4.023 0.047 1 1 255 . 1 1 1 A 28 28 VAL C C 28 176.300 176.206 0.094 1 1 256 . 1 1 1 A 28 28 VAL CA C 28 64.700 65.185 -0.485 1 1 257 . 1 1 1 A 28 28 VAL CB C 28 32.700 32.084 0.616 1 1 260 . 1 1 1 A 28 28 VAL N N 28 119.000 120.726 -1.726 1 1 261 . 1 1 1 A 29 29 ASP H H 29 7.910 7.575 0.335 1 1 262 . 1 1 1 A 29 29 ASP HA H 29 5.310 4.966 0.344 1 1 265 . 1 1 1 A 29 29 ASP C C 29 175.000 174.606 0.394 1 1 266 . 1 1 1 A 29 29 ASP CA C 29 54.500 52.583 1.917 1 1 267 . 1 1 1 A 29 29 ASP CB C 29 42.700 40.818 1.882 1 1 268 . 1 1 1 A 29 29 ASP N N 29 123.100 121.441 1.659 1 1 269 . 1 1 1 A 30 30 GLN H H 30 7.680 8.028 -0.348 1 1 270 . 1 1 1 A 30 30 GLN HA H 30 4.840 5.117 -0.277 1 1 275 . 1 1 1 A 30 30 GLN C C 30 173.900 174.696 -0.796 1 1 276 . 1 1 1 A 30 30 GLN CA C 30 55.000 54.694 0.306 1 1 277 . 1 1 1 A 30 30 GLN CB C 30 32.400 30.837 1.563 1 1 279 . 1 1 1 A 30 30 GLN N N 30 119.700 121.213 -1.513 1 1 281 . 1 1 1 A 31 31 THR H H 31 8.960 8.861 0.099 1 1 282 . 1 1 1 A 31 31 THR HA H 31 5.160 4.870 0.290 1 1 287 . 1 1 1 A 31 31 THR C C 31 173.600 173.653 -0.053 1 1 288 . 1 1 1 A 31 31 THR CA C 31 62.000 62.084 -0.084 1 1 289 . 1 1 1 A 31 31 THR CB C 31 70.300 69.056 1.244 1 1 291 . 1 1 1 A 31 31 THR N N 31 118.900 118.792 0.108 1 1 292 . 1 1 1 A 32 32 VAL H H 32 9.210 8.792 0.418 1 1 293 . 1 1 1 A 32 32 VAL HA H 32 4.070 4.428 -0.358 1 1 301 . 1 1 1 A 32 32 VAL C C 32 174.400 175.250 -0.850 1 1 302 . 1 1 1 A 32 32 VAL CA C 32 61.200 62.205 -1.005 1 1 303 . 1 1 1 A 32 32 VAL CB C 32 33.600 30.789 2.811 1 1 306 . 1 1 1 A 32 32 VAL N N 32 131.300 127.847 3.453 1 1 307 . 1 1 1 A 33 33 GLN H H 33 8.890 8.788 0.102 1 1 308 . 1 1 1 A 33 33 GLN HA H 33 4.760 4.880 -0.120 1 1 315 . 1 1 1 A 33 33 GLN C C 33 175.900 175.620 0.280 1 1 316 . 1 1 1 A 33 33 GLN CA C 33 54.400 54.834 -0.434 1 1 317 . 1 1 1 A 33 33 GLN CB C 33 27.500 28.512 -1.012 1 1 319 . 1 1 1 A 33 33 GLN N N 33 127.200 127.952 -0.752 1 1 321 . 1 1 1 A 34 34 LEU H H 34 9.510 9.313 0.197 1 1 322 . 1 1 1 A 34 34 LEU HA H 34 4.290 4.377 -0.087 1 1 332 . 1 1 1 A 34 34 LEU C C 34 177.900 177.069 0.831 1 1 333 . 1 1 1 A 34 34 LEU CA C 34 56.200 55.442 0.758 1 1 334 . 1 1 1 A 34 34 LEU CB C 34 41.300 42.414 -1.114 1 1 338 . 1 1 1 A 34 34 LEU N N 34 126.800 126.000 0.800 1 1 339 . 1 1 1 A 35 35 GLY H H 35 8.310 7.982 0.328 1 1 340 . 1 1 1 A 35 35 GLY HA2 H 35 3.810 4.128 -0.318 1 1 341 . 1 1 1 A 35 35 GLY HA3 H 35 4.230 4.128 0.102 1 1 342 . 1 1 1 A 35 35 GLY C C 35 171.900 173.314 -1.414 1 1 343 . 1 1 1 A 35 35 GLY CA C 35 44.400 44.622 -0.222 1 1 344 . 1 1 1 A 35 35 GLY N N 35 106.500 106.477 0.023 1 1 345 . 1 1 1 A 36 36 GLN H H 36 7.990 8.370 -0.380 1 1 346 . 1 1 1 A 36 36 GLN HA H 36 5.310 4.791 0.519 1 1 353 . 1 1 1 A 36 36 GLN C C 36 176.700 175.174 1.526 1 1 354 . 1 1 1 A 36 36 GLN CA C 36 54.500 56.283 -1.783 1 1 355 . 1 1 1 A 36 36 GLN CB C 36 30.100 29.422 0.678 1 1 357 . 1 1 1 A 36 36 GLN N N 36 115.700 120.003 -4.303 1 1 359 . 1 1 1 A 37 37 VAL H H 37 8.910 8.584 0.326 1 1 360 . 1 1 1 A 37 37 VAL HA H 37 4.500 4.728 -0.228 1 1 368 . 1 1 1 A 37 37 VAL C C 37 174.700 174.483 0.217 1 1 369 . 1 1 1 A 37 37 VAL CA C 37 60.200 60.247 -0.047 1 1 370 . 1 1 1 A 37 37 VAL CB C 37 34.800 35.606 -0.806 1 1 373 . 1 1 1 A 37 37 VAL N N 37 124.300 123.448 0.852 1 1 374 . 1 1 1 A 38 38 ARG H H 38 8.750 8.899 -0.149 1 1 375 . 1 1 1 A 38 38 ARG HA H 38 4.940 4.484 0.456 1 1 381 . 1 1 1 A 38 38 ARG C C 38 179.500 177.754 1.746 1 1 382 . 1 1 1 A 38 38 ARG CA C 38 55.700 56.114 -0.414 1 1 383 . 1 1 1 A 38 38 ARG CB C 38 30.700 30.821 -0.121 1 1 386 . 1 1 1 A 38 38 ARG N N 38 125.400 124.841 0.559 1 1 388 . 1 1 1 A 39 39 THR H H 39 8.820 8.895 -0.075 1 1 389 . 1 1 1 A 39 39 THR HA H 39 3.320 3.941 -0.621 1 1 394 . 1 1 1 A 39 39 THR C C 39 178.500 176.096 2.404 1 1 395 . 1 1 1 A 39 39 THR CA C 39 65.700 65.053 0.647 1 1 396 . 1 1 1 A 39 39 THR CB C 39 67.300 68.285 -0.985 1 1 398 . 1 1 1 A 39 39 THR N N 39 116.200 118.186 -1.986 1 1 399 . 1 1 1 A 40 40 ALA H H 40 8.060 8.123 -0.063 1 1 400 . 1 1 1 A 40 40 ALA HA H 40 4.110 3.982 0.128 1 1 404 . 1 1 1 A 40 40 ALA C C 40 178.900 179.620 -0.720 1 1 405 . 1 1 1 A 40 40 ALA CA C 40 54.500 55.518 -1.018 1 1 406 . 1 1 1 A 40 40 ALA CB C 40 18.800 18.689 0.111 1 1 407 . 1 1 1 A 40 40 ALA N N 40 121.200 125.459 -4.259 1 1 408 . 1 1 1 A 41 41 SER H H 41 7.580 7.793 -0.213 1 1 409 . 1 1 1 A 41 41 SER HA H 41 4.460 4.458 0.002 1 1 412 . 1 1 1 A 41 41 SER C C 41 172.900 173.935 -1.035 1 1 413 . 1 1 1 A 41 41 SER CA C 41 59.400 58.925 0.475 1 1 414 . 1 1 1 A 41 41 SER CB C 41 63.700 63.537 0.163 1 1 415 . 1 1 1 A 41 41 SER N N 41 112.300 111.371 0.929 1 1 416 . 1 1 1 A 42 42 LEU H H 42 7.330 7.471 -0.141 1 1 417 . 1 1 1 A 42 42 LEU HA H 42 4.460 4.533 -0.073 1 1 427 . 1 1 1 A 42 42 LEU C C 42 174.400 175.871 -1.471 1 1 428 . 1 1 1 A 42 42 LEU CA C 42 52.100 53.881 -1.781 1 1 429 . 1 1 1 A 42 42 LEU CB C 42 43.800 42.868 0.932 1 1 433 . 1 1 1 A 42 42 LEU N N 42 124.500 122.404 2.096 1 1 434 . 1 1 1 A 43 43 ALA H H 43 7.520 8.522 -1.002 1 1 435 . 1 1 1 A 43 43 ALA HA H 43 4.550 4.545 0.005 1 1 439 . 1 1 1 A 43 43 ALA C C 43 176.600 176.223 0.377 1 1 440 . 1 1 1 A 43 43 ALA CA C 43 53.300 51.725 1.575 1 1 441 . 1 1 1 A 43 43 ALA CB C 43 20.000 21.113 -1.113 1 1 442 . 1 1 1 A 43 43 ALA N N 43 118.200 124.377 -6.177 1 1 443 . 1 1 1 A 44 44 GLN H H 44 7.040 7.597 -0.557 1 1 444 . 1 1 1 A 44 44 GLN HA H 44 4.150 4.597 -0.447 1 1 449 . 1 1 1 A 44 44 GLN C C 44 172.800 173.577 -0.777 1 1 450 . 1 1 1 A 44 44 GLN CA C 44 53.400 53.967 -0.567 1 1 451 . 1 1 1 A 44 44 GLN CB C 44 31.600 31.820 -0.220 1 1 453 . 1 1 1 A 44 44 GLN N N 44 111.900 114.873 -2.973 1 1 455 . 1 1 1 A 45 45 GLU H H 45 8.490 8.576 -0.086 1 1 456 . 1 1 1 A 45 45 GLU HA H 45 3.680 3.893 -0.213 1 1 461 . 1 1 1 A 45 45 GLU C C 45 177.500 177.144 0.356 1 1 462 . 1 1 1 A 45 45 GLU CA C 45 57.100 58.113 -1.013 1 1 463 . 1 1 1 A 45 45 GLU CB C 45 28.500 29.262 -0.762 1 1 465 . 1 1 1 A 45 45 GLU N N 45 120.300 122.538 -2.238 1 1 466 . 1 1 1 A 46 46 GLY H H 46 8.520 8.524 -0.004 1 1 467 . 1 1 1 A 46 46 GLY HA2 H 46 4.140 3.494 0.646 1 1 468 . 1 1 1 A 46 46 GLY HA3 H 46 3.050 3.887 -0.837 1 1 469 . 1 1 1 A 46 46 GLY C C 46 173.900 174.186 -0.286 1 1 470 . 1 1 1 A 46 46 GLY CA C 46 44.400 44.747 -0.347 1 1 471 . 1 1 1 A 46 46 GLY N N 46 115.100 114.684 0.416 1 1 472 . 1 1 1 A 47 47 ALA H H 47 7.690 7.713 -0.023 1 1 473 . 1 1 1 A 47 47 ALA HA H 47 4.320 4.216 0.104 1 1 477 . 1 1 1 A 47 47 ALA C C 47 176.000 176.673 -0.673 1 1 478 . 1 1 1 A 47 47 ALA CA C 47 52.800 51.938 0.862 1 1 479 . 1 1 1 A 47 47 ALA CB C 47 19.900 19.753 0.147 1 1 480 . 1 1 1 A 47 47 ALA N N 47 123.600 123.540 0.060 1 1 481 . 1 1 1 A 48 48 THR H H 48 7.960 8.536 -0.576 1 1 482 . 1 1 1 A 48 48 THR HA H 48 5.440 5.212 0.228 1 1 487 . 1 1 1 A 48 48 THR C C 48 175.700 173.771 1.929 1 1 488 . 1 1 1 A 48 48 THR CA C 48 58.500 59.552 -1.052 1 1 489 . 1 1 1 A 48 48 THR CB C 48 73.500 72.271 1.229 1 1 491 . 1 1 1 A 48 48 THR N N 48 107.700 111.767 -4.067 1 1 492 . 1 1 1 A 49 49 SER H H 49 8.240 8.766 -0.526 1 1 493 . 1 1 1 A 49 49 SER HA H 49 4.810 4.631 0.179 1 1 494 . 1 1 1 A 49 49 SER C C 49 174.000 175.813 -1.813 1 1 495 . 1 1 1 A 49 49 SER CA C 49 57.100 57.758 -0.658 1 1 496 . 1 1 1 A 49 49 SER CB C 49 65.800 65.269 0.531 1 1 497 . 1 1 1 A 49 49 SER N N 49 115.400 117.160 -1.760 1 1 498 . 1 1 1 A 50 50 SER H H 50 8.640 8.773 -0.133 1 1 499 . 1 1 1 A 50 50 SER HA H 50 4.340 4.167 0.173 1 1 502 . 1 1 1 A 50 50 SER C C 50 174.200 174.824 -0.624 1 1 503 . 1 1 1 A 50 50 SER CA C 50 59.600 60.799 -1.199 1 1 504 . 1 1 1 A 50 50 SER CB C 50 63.200 63.422 -0.222 1 1 505 . 1 1 1 A 50 50 SER N N 50 114.800 116.077 -1.277 1 1 506 . 1 1 1 A 51 51 ALA H H 51 8.520 8.011 0.509 1 1 507 . 1 1 1 A 51 51 ALA HA H 51 4.640 4.271 0.369 1 1 511 . 1 1 1 A 51 51 ALA C C 51 177.800 175.609 2.191 1 1 512 . 1 1 1 A 51 51 ALA CA C 51 52.000 54.262 -2.262 1 1 513 . 1 1 1 A 51 51 ALA CB C 51 20.100 18.222 1.878 1 1 514 . 1 1 1 A 51 51 ALA N N 51 127.800 123.603 4.197 1 1 515 . 1 1 1 A 52 52 VAL H H 52 9.250 8.930 0.320 1 1 516 . 1 1 1 A 52 52 VAL HA H 52 4.380 4.673 -0.293 1 1 524 . 1 1 1 A 52 52 VAL C C 52 176.100 174.941 1.159 1 1 525 . 1 1 1 A 52 52 VAL CA C 52 61.200 60.772 0.428 1 1 526 . 1 1 1 A 52 52 VAL CB C 52 34.800 35.774 -0.974 1 1 529 . 1 1 1 A 52 52 VAL N N 52 122.200 119.238 2.962 1 1 530 . 1 1 1 A 53 53 GLY H H 53 8.730 9.063 -0.333 1 1 531 . 1 1 1 A 53 53 GLY HA2 H 53 4.890 4.123 0.767 1 1 532 . 1 1 1 A 53 53 GLY HA3 H 53 3.760 4.126 -0.366 1 1 533 . 1 1 1 A 53 53 GLY C C 53 173.700 172.856 0.844 1 1 534 . 1 1 1 A 53 53 GLY CA C 53 45.400 44.830 0.570 1 1 535 . 1 1 1 A 53 53 GLY N N 53 112.400 114.214 -1.814 1 1 536 . 1 1 1 A 54 54 PHE H H 54 8.500 8.549 -0.049 1 1 537 . 1 1 1 A 54 54 PHE HA H 54 4.830 5.739 -0.909 1 1 539 . 1 1 1 A 54 54 PHE C C 54 171.300 173.770 -2.470 1 1 540 . 1 1 1 A 54 54 PHE CA C 54 56.900 55.135 1.765 1 1 541 . 1 1 1 A 54 54 PHE CB C 54 41.600 42.447 -0.847 1 1 545 . 1 1 1 A 54 54 PHE N N 54 118.300 120.139 -1.839 1 1 546 . 1 1 1 A 55 55 ASN H H 55 9.240 9.016 0.224 1 1 547 . 1 1 1 A 55 55 ASN HA H 55 5.640 5.537 0.103 1 1 552 . 1 1 1 A 55 55 ASN C C 55 175.200 174.253 0.947 1 1 553 . 1 1 1 A 55 55 ASN CA C 55 51.800 51.856 -0.056 1 1 554 . 1 1 1 A 55 55 ASN CB C 55 43.000 42.920 0.080 1 1 555 . 1 1 1 A 55 55 ASN N N 55 117.100 117.413 -0.313 1 1 557 . 1 1 1 A 56 56 ILE H H 56 8.780 8.986 -0.206 1 1 558 . 1 1 1 A 56 56 ILE HA H 56 4.150 4.930 -0.780 1 1 568 . 1 1 1 A 56 56 ILE C C 56 173.700 174.603 -0.903 1 1 569 . 1 1 1 A 56 56 ILE CA C 56 60.800 60.611 0.189 1 1 570 . 1 1 1 A 56 56 ILE CB C 56 40.000 39.962 0.038 1 1 574 . 1 1 1 A 56 56 ILE N N 56 119.900 120.181 -0.281 1 1 575 . 1 1 1 A 57 57 GLN H H 57 8.840 9.032 -0.192 1 1 576 . 1 1 1 A 57 57 GLN HA H 57 4.970 4.670 0.300 1 1 581 . 1 1 1 A 57 57 GLN C C 57 173.100 174.678 -1.578 1 1 582 . 1 1 1 A 57 57 GLN CA C 57 54.900 55.496 -0.596 1 1 583 . 1 1 1 A 57 57 GLN CB C 57 31.300 29.397 1.903 1 1 585 . 1 1 1 A 57 57 GLN N N 57 128.700 127.968 0.732 1 1 587 . 1 1 1 A 58 58 LEU H H 58 9.090 9.553 -0.463 1 1 588 . 1 1 1 A 58 58 LEU HA H 58 5.010 5.019 -0.009 1 1 598 . 1 1 1 A 58 58 LEU C C 58 174.700 176.087 -1.387 1 1 599 . 1 1 1 A 58 58 LEU CA C 58 52.600 54.065 -1.465 1 1 600 . 1 1 1 A 58 58 LEU CB C 58 43.800 42.436 1.364 1 1 604 . 1 1 1 A 58 58 LEU N N 58 126.800 130.112 -3.312 1 1 605 . 1 1 1 A 59 59 ASN H H 59 9.670 8.841 0.829 1 1 606 . 1 1 1 A 59 59 ASN HA H 59 5.130 4.885 0.245 1 1 611 . 1 1 1 A 59 59 ASN C C 59 175.700 175.539 0.161 1 1 612 . 1 1 1 A 59 59 ASN CA C 59 51.200 52.843 -1.643 1 1 613 . 1 1 1 A 59 59 ASN CB C 59 41.500 39.797 1.703 1 1 614 . 1 1 1 A 59 59 ASN N N 59 119.300 123.597 -4.297 1 1 616 . 1 1 1 A 60 60 ASP H H 60 9.440 9.102 0.338 1 1 617 . 1 1 1 A 60 60 ASP HA H 60 4.240 4.159 0.081 1 1 620 . 1 1 1 A 60 60 ASP C C 60 176.000 175.162 0.838 1 1 621 . 1 1 1 A 60 60 ASP CA C 60 55.200 54.810 0.390 1 1 622 . 1 1 1 A 60 60 ASP CB C 60 39.100 39.053 0.047 1 1 623 . 1 1 1 A 60 60 ASP N N 60 115.200 121.306 -6.106 1 1 624 . 1 1 1 A 61 61 CYS H H 61 8.690 8.293 0.397 1 1 625 . 1 1 1 A 61 61 CYS HA H 61 5.240 4.816 0.424 1 1 628 . 1 1 1 A 61 61 CYS CA C 61 56.800 56.591 0.209 1 1 629 . 1 1 1 A 61 61 CYS CB C 61 41.800 42.951 -1.151 1 1 630 . 1 1 1 A 61 61 CYS N N 61 114.600 117.971 -3.371 1 1 631 . 1 1 1 A 62 62 ASP H H 62 8.280 8.210 0.070 1 1 632 . 1 1 1 A 62 62 ASP HA H 62 5.040 5.225 -0.185 1 1 635 . 1 1 1 A 62 62 ASP C C 62 178.200 176.762 1.438 1 1 636 . 1 1 1 A 62 62 ASP CA C 62 52.300 52.731 -0.431 1 1 637 . 1 1 1 A 62 62 ASP CB C 62 42.000 43.905 -1.905 1 1 638 . 1 1 1 A 62 62 ASP N N 62 122.300 124.084 -1.784 1 1 639 . 1 1 1 A 63 63 THR H H 63 8.620 8.637 -0.017 1 1 640 . 1 1 1 A 63 63 THR HA H 63 4.870 4.536 0.334 1 1 645 . 1 1 1 A 63 63 THR C C 63 176.500 176.283 0.217 1 1 646 . 1 1 1 A 63 63 THR CA C 63 63.100 63.226 -0.126 1 1 647 . 1 1 1 A 63 63 THR CB C 63 68.500 69.276 -0.776 1 1 649 . 1 1 1 A 63 63 THR N N 63 115.500 118.247 -2.747 1 1 650 . 1 1 1 A 64 64 ASN H H 64 8.800 8.070 0.730 1 1 651 . 1 1 1 A 64 64 ASN HA H 64 4.580 4.443 0.137 1 1 656 . 1 1 1 A 64 64 ASN C C 64 176.800 177.753 -0.953 1 1 657 . 1 1 1 A 64 64 ASN CA C 64 55.100 56.115 -1.015 1 1 658 . 1 1 1 A 64 64 ASN CB C 64 38.300 38.829 -0.529 1 1 659 . 1 1 1 A 64 64 ASN N N 64 119.100 121.847 -2.747 1 1 661 . 1 1 1 A 65 65 VAL H H 65 7.780 7.447 0.333 1 1 662 . 1 1 1 A 65 65 VAL HA H 65 3.800 3.909 -0.109 1 1 670 . 1 1 1 A 65 65 VAL C C 65 175.900 175.885 0.015 1 1 671 . 1 1 1 A 65 65 VAL CA C 65 64.400 64.783 -0.383 1 1 672 . 1 1 1 A 65 65 VAL CB C 65 32.500 32.491 0.009 1 1 675 . 1 1 1 A 65 65 VAL N N 65 120.800 118.723 2.077 1 1 676 . 1 1 1 A 66 66 ALA H H 66 7.400 7.643 -0.243 1 1 677 . 1 1 1 A 66 66 ALA HA H 66 4.270 4.551 -0.281 1 1 681 . 1 1 1 A 66 66 ALA C C 66 173.800 177.183 -3.383 1 1 682 . 1 1 1 A 66 66 ALA CA C 66 52.400 51.872 0.528 1 1 683 . 1 1 1 A 66 66 ALA CB C 66 23.400 20.747 2.653 1 1 684 . 1 1 1 A 66 66 ALA N N 66 118.100 120.806 -2.706 1 1 685 . 1 1 1 A 67 67 SER H H 67 8.070 8.706 -0.636 1 1 686 . 1 1 1 A 67 67 SER HA H 67 4.720 4.651 0.069 1 1 689 . 1 1 1 A 67 67 SER C C 67 175.100 173.653 1.447 1 1 690 . 1 1 1 A 67 67 SER CA C 67 57.800 59.301 -1.501 1 1 691 . 1 1 1 A 67 67 SER CB C 67 65.200 63.790 1.410 1 1 692 . 1 1 1 A 67 67 SER N N 67 109.700 117.739 -8.039 1 1 693 . 1 1 1 A 68 68 LYS H H 68 8.140 7.786 0.354 1 1 694 . 1 1 1 A 68 68 LYS HA H 68 5.450 5.055 0.395 1 1 699 . 1 1 1 A 68 68 LYS C C 68 174.600 174.723 -0.123 1 1 700 . 1 1 1 A 68 68 LYS CA C 68 54.900 55.083 -0.183 1 1 701 . 1 1 1 A 68 68 LYS CB C 68 38.000 37.535 0.465 1 1 705 . 1 1 1 A 68 68 LYS N N 68 121.300 119.037 2.263 1 1 706 . 1 1 1 A 69 69 ALA H H 69 8.560 8.634 -0.074 1 1 707 . 1 1 1 A 69 69 ALA HA H 69 5.630 5.022 0.608 1 1 711 . 1 1 1 A 69 69 ALA C C 69 175.300 175.598 -0.298 1 1 712 . 1 1 1 A 69 69 ALA CA C 69 50.000 50.965 -0.965 1 1 713 . 1 1 1 A 69 69 ALA CB C 69 24.500 22.975 1.525 1 1 714 . 1 1 1 A 69 69 ALA N N 69 120.400 121.491 -1.091 1 1 715 . 1 1 1 A 70 70 ALA H H 70 8.660 9.000 -0.340 1 1 716 . 1 1 1 A 70 70 ALA HA H 70 4.660 5.516 -0.856 1 1 720 . 1 1 1 A 70 70 ALA C C 70 175.000 175.576 -0.576 1 1 721 . 1 1 1 A 70 70 ALA CA C 70 51.400 50.293 1.107 1 1 722 . 1 1 1 A 70 70 ALA CB C 70 23.800 23.351 0.449 1 1 723 . 1 1 1 A 70 70 ALA N N 70 121.800 122.287 -0.487 1 1 724 . 1 1 1 A 71 71 VAL H H 71 8.730 8.399 0.331 1 1 725 . 1 1 1 A 71 71 VAL HA H 71 5.230 5.294 -0.064 1 1 733 . 1 1 1 A 71 71 VAL C C 71 174.200 174.619 -0.419 1 1 734 . 1 1 1 A 71 71 VAL CA C 71 61.200 60.001 1.199 1 1 735 . 1 1 1 A 71 71 VAL CB C 71 36.100 35.523 0.577 1 1 738 . 1 1 1 A 71 71 VAL N N 71 119.200 119.561 -0.361 1 1 739 . 1 1 1 A 72 72 ALA H H 72 8.200 8.583 -0.383 1 1 740 . 1 1 1 A 72 72 ALA HA H 72 4.680 5.428 -0.748 1 1 744 . 1 1 1 A 72 72 ALA C C 72 176.500 175.760 0.740 1 1 745 . 1 1 1 A 72 72 ALA CA C 72 50.200 50.515 -0.315 1 1 746 . 1 1 1 A 72 72 ALA CB C 72 21.000 24.146 -3.146 1 1 747 . 1 1 1 A 72 72 ALA N N 72 127.900 126.459 1.441 1 1 748 . 1 1 1 A 73 73 PHE H H 73 9.700 8.737 0.963 1 1 749 . 1 1 1 A 73 73 PHE HA H 73 5.270 5.385 -0.115 1 1 753 . 1 1 1 A 73 73 PHE C C 73 174.500 174.651 -0.151 1 1 754 . 1 1 1 A 73 73 PHE CA C 73 57.400 56.176 1.224 1 1 755 . 1 1 1 A 73 73 PHE CB C 73 42.800 43.896 -1.096 1 1 759 . 1 1 1 A 73 73 PHE N N 73 121.600 116.185 5.415 1 1 760 . 1 1 1 A 74 74 LEU H H 74 9.180 8.682 0.498 1 1 761 . 1 1 1 A 74 74 LEU HA H 74 4.670 5.064 -0.394 1 1 771 . 1 1 1 A 74 74 LEU C C 74 175.800 175.413 0.387 1 1 772 . 1 1 1 A 74 74 LEU CA C 74 53.600 54.300 -0.700 1 1 773 . 1 1 1 A 74 74 LEU CB C 74 45.400 46.371 -0.971 1 1 777 . 1 1 1 A 74 74 LEU N N 74 122.100 122.364 -0.264 1 1 778 . 1 1 1 A 75 75 GLY H H 75 8.460 8.428 0.032 1 1 779 . 1 1 1 A 75 75 GLY HA2 H 75 3.960 4.251 -0.291 1 1 780 . 1 1 1 A 75 75 GLY HA3 H 75 4.380 4.283 0.097 1 1 781 . 1 1 1 A 75 75 GLY C C 75 171.100 172.091 -0.991 1 1 782 . 1 1 1 A 75 75 GLY CA C 75 44.900 45.380 -0.480 1 1 783 . 1 1 1 A 75 75 GLY N N 75 111.400 111.414 -0.014 1 1 784 . 1 1 1 A 76 76 THR H H 76 8.450 8.721 -0.271 1 1 785 . 1 1 1 A 76 76 THR HA H 76 4.230 4.273 -0.043 1 1 790 . 1 1 1 A 76 76 THR C C 76 173.500 174.959 -1.459 1 1 791 . 1 1 1 A 76 76 THR CA C 76 62.600 63.617 -1.017 1 1 792 . 1 1 1 A 76 76 THR CB C 76 69.800 69.134 0.666 1 1 794 . 1 1 1 A 76 76 THR N N 76 118.300 115.679 2.621 1 1 795 . 1 1 1 A 77 77 ALA H H 77 8.740 8.822 -0.082 1 1 796 . 1 1 1 A 77 77 ALA HA H 77 4.860 4.622 0.238 1 1 800 . 1 1 1 A 77 77 ALA C C 77 179.700 178.168 1.532 1 1 801 . 1 1 1 A 77 77 ALA CA C 77 51.700 52.247 -0.547 1 1 802 . 1 1 1 A 77 77 ALA CB C 77 19.600 19.199 0.401 1 1 803 . 1 1 1 A 77 77 ALA N N 77 130.800 128.756 2.044 1 1 804 . 1 1 1 A 78 78 ILE H H 78 9.000 8.680 0.320 1 1 805 . 1 1 1 A 78 78 ILE HA H 78 3.820 4.004 -0.184 1 1 815 . 1 1 1 A 78 78 ILE C C 78 173.900 174.714 -0.814 1 1 816 . 1 1 1 A 78 78 ILE CA C 78 65.500 63.957 1.543 1 1 817 . 1 1 1 A 78 78 ILE CB C 78 39.200 38.513 0.687 1 1 821 . 1 1 1 A 78 78 ILE N N 78 122.600 122.821 -0.221 1 1 822 . 1 1 1 A 79 79 ASP H H 79 7.360 7.817 -0.457 1 1 823 . 1 1 1 A 79 79 ASP HA H 79 4.450 4.868 -0.418 1 1 826 . 1 1 1 A 79 79 ASP C C 79 175.700 175.361 0.339 1 1 827 . 1 1 1 A 79 79 ASP CA C 79 53.900 53.290 0.610 1 1 828 . 1 1 1 A 79 79 ASP CB C 79 41.800 43.924 -2.124 1 1 829 . 1 1 1 A 79 79 ASP N N 79 113.600 120.018 -6.418 1 1 830 . 1 1 1 A 80 80 ALA H H 80 8.510 8.775 -0.265 1 1 831 . 1 1 1 A 80 80 ALA HA H 80 4.100 3.994 0.106 1 1 835 . 1 1 1 A 80 80 ALA C C 80 178.600 179.219 -0.619 1 1 836 . 1 1 1 A 80 80 ALA CA C 80 54.200 55.098 -0.898 1 1 837 . 1 1 1 A 80 80 ALA CB C 80 18.600 18.300 0.300 1 1 838 . 1 1 1 A 80 80 ALA N N 80 118.700 124.902 -6.202 1 1 839 . 1 1 1 A 81 81 GLY H H 81 8.440 8.402 0.038 1 1 840 . 1 1 1 A 81 81 GLY HA2 H 81 3.490 3.842 -0.352 1 1 841 . 1 1 1 A 81 81 GLY HA3 H 81 4.120 3.847 0.273 1 1 842 . 1 1 1 A 81 81 GLY C C 81 174.100 174.175 -0.075 1 1 843 . 1 1 1 A 81 81 GLY CA C 81 44.800 45.487 -0.687 1 1 844 . 1 1 1 A 81 81 GLY N N 81 104.400 105.250 -0.850 1 1 845 . 1 1 1 A 82 82 HIS H H 82 7.830 7.409 0.421 1 1 846 . 1 1 1 A 82 82 HIS HA H 82 4.920 4.957 -0.037 1 1 851 . 1 1 1 A 82 82 HIS C C 82 174.600 174.838 -0.238 1 1 852 . 1 1 1 A 82 82 HIS CA C 82 54.700 54.598 0.102 1 1 853 . 1 1 1 A 82 82 HIS CB C 82 28.100 29.281 -1.181 1 1 856 . 1 1 1 A 82 82 HIS N N 82 120.400 116.811 3.589 1 1 857 . 1 1 1 A 83 83 THR H H 83 8.220 8.030 0.190 1 1 858 . 1 1 1 A 83 83 THR HA H 83 4.090 4.093 -0.003 1 1 863 . 1 1 1 A 83 83 THR C C 83 174.300 175.708 -1.408 1 1 864 . 1 1 1 A 83 83 THR CA C 83 63.600 64.385 -0.785 1 1 865 . 1 1 1 A 83 83 THR CB C 83 68.500 68.888 -0.388 1 1 867 . 1 1 1 A 83 83 THR N N 83 109.800 112.779 -2.979 1 1 868 . 1 1 1 A 84 84 ASN H H 84 7.490 7.840 -0.350 1 1 869 . 1 1 1 A 84 84 ASN HA H 84 4.810 4.728 0.082 1 1 874 . 1 1 1 A 84 84 ASN C C 84 174.100 174.548 -0.448 1 1 875 . 1 1 1 A 84 84 ASN CA C 84 51.100 54.368 -3.268 1 1 876 . 1 1 1 A 84 84 ASN CB C 84 38.100 39.339 -1.239 1 1 877 . 1 1 1 A 84 84 ASN N N 84 115.800 118.929 -3.129 1 1 879 . 1 1 1 A 85 85 VAL H H 85 7.300 7.892 -0.592 1 1 880 . 1 1 1 A 85 85 VAL HA H 85 4.090 4.612 -0.522 1 1 888 . 1 1 1 A 85 85 VAL C C 85 173.700 175.259 -1.559 1 1 889 . 1 1 1 A 85 85 VAL CA C 85 61.600 60.517 1.083 1 1 890 . 1 1 1 A 85 85 VAL CB C 85 33.600 34.908 -1.308 1 1 893 . 1 1 1 A 85 85 VAL N N 85 120.200 118.687 1.513 1 1 894 . 1 1 1 A 86 86 LEU H H 86 9.850 8.925 0.925 1 1 895 . 1 1 1 A 86 86 LEU HA H 86 4.220 4.740 -0.520 1 1 905 . 1 1 1 A 86 86 LEU C C 86 176.800 178.370 -1.570 1 1 906 . 1 1 1 A 86 86 LEU CA C 86 55.000 54.417 0.583 1 1 907 . 1 1 1 A 86 86 LEU CB C 86 44.200 42.404 1.796 1 1 911 . 1 1 1 A 86 86 LEU N N 86 130.700 127.464 3.236 1 1 912 . 1 1 1 A 87 87 ALA H H 87 8.670 8.108 0.562 1 1 913 . 1 1 1 A 87 87 ALA HA H 87 4.110 4.670 -0.560 1 1 917 . 1 1 1 A 87 87 ALA C C 87 177.000 177.516 -0.516 1 1 918 . 1 1 1 A 87 87 ALA CA C 87 51.500 51.410 0.090 1 1 919 . 1 1 1 A 87 87 ALA CB C 87 20.000 18.562 1.438 1 1 920 . 1 1 1 A 87 87 ALA N N 87 123.600 124.536 -0.936 1 1 921 . 1 1 1 A 88 88 LEU H H 88 8.590 8.027 0.563 1 1 922 . 1 1 1 A 88 88 LEU HA H 88 4.780 4.445 0.335 1 1 932 . 1 1 1 A 88 88 LEU C C 88 179.400 175.851 3.549 1 1 933 . 1 1 1 A 88 88 LEU CA C 88 53.500 57.040 -3.540 1 1 934 . 1 1 1 A 88 88 LEU CB C 88 41.600 40.774 0.826 1 1 938 . 1 1 1 A 88 88 LEU N N 88 116.800 116.054 0.746 1 1 939 . 1 1 1 A 89 89 GLN H H 89 9.050 7.936 1.114 1 1 940 . 1 1 1 A 89 89 GLN HA H 89 4.340 4.991 -0.651 1 1 945 . 1 1 1 A 89 89 GLN C C 89 177.200 175.528 1.672 1 1 946 . 1 1 1 A 89 89 GLN CA C 89 55.800 54.325 1.475 1 1 947 . 1 1 1 A 89 89 GLN CB C 89 29.900 31.444 -1.544 1 1 949 . 1 1 1 A 89 89 GLN N N 89 120.900 117.098 3.802 1 1 951 . 1 1 1 A 90 90 SER H H 90 8.660 8.720 -0.060 1 1 952 . 1 1 1 A 90 90 SER HA H 90 4.520 4.352 0.168 1 1 955 . 1 1 1 A 90 90 SER C C 90 174.100 173.681 0.419 1 1 956 . 1 1 1 A 90 90 SER CA C 90 58.400 59.680 -1.280 1 1 957 . 1 1 1 A 90 90 SER CB C 90 63.800 62.805 0.995 1 1 958 . 1 1 1 A 90 90 SER N N 90 118.600 114.801 3.799 1 1 959 . 1 1 1 A 91 91 SER H H 91 8.360 8.788 -0.428 1 1 960 . 1 1 1 A 91 91 SER HA H 91 4.640 4.350 0.290 1 1 963 . 1 1 1 A 91 91 SER C C 91 175.100 175.009 0.091 1 1 964 . 1 1 1 A 91 91 SER CA C 91 57.700 59.728 -2.028 1 1 965 . 1 1 1 A 91 91 SER CB C 91 64.900 62.305 2.595 1 1 966 . 1 1 1 A 91 91 SER N N 91 117.100 120.827 -3.727 1 1 967 . 1 1 1 A 92 92 ALA H H 92 8.720 8.683 0.037 1 1 968 . 1 1 1 A 92 92 ALA HA H 92 4.230 4.198 0.032 1 1 972 . 1 1 1 A 92 92 ALA C C 92 178.400 177.421 0.979 1 1 973 . 1 1 1 A 92 92 ALA CA C 92 54.000 53.557 0.443 1 1 974 . 1 1 1 A 92 92 ALA CB C 92 18.700 18.293 0.407 1 1 975 . 1 1 1 A 92 92 ALA N N 92 127.600 128.793 -1.193 1 1 976 . 1 1 1 A 93 93 ALA H H 93 8.180 7.992 0.188 1 1 977 . 1 1 1 A 93 93 ALA HA H 93 4.340 4.558 -0.218 1 1 981 . 1 1 1 A 93 93 ALA C C 93 178.000 178.033 -0.033 1 1 982 . 1 1 1 A 93 93 ALA CA C 93 52.700 51.133 1.567 1 1 983 . 1 1 1 A 93 93 ALA CB C 93 19.100 20.173 -1.073 1 1 984 . 1 1 1 A 93 93 ALA N N 93 119.800 119.883 -0.083 1 1 985 . 1 1 1 A 94 94 GLY H H 94 7.880 7.837 0.043 1 1 986 . 1 1 1 A 94 94 GLY HA2 H 94 4.370 4.049 0.321 1 1 987 . 1 1 1 A 94 94 GLY HA3 H 94 3.780 4.051 -0.271 1 1 988 . 1 1 1 A 94 94 GLY C C 94 174.400 174.455 -0.055 1 1 989 . 1 1 1 A 94 94 GLY CA C 94 45.200 45.611 -0.411 1 1 990 . 1 1 1 A 94 94 GLY N N 94 107.900 106.513 1.387 1 1 991 . 1 1 1 A 95 95 SER H H 95 8.510 8.066 0.444 1 1 992 . 1 1 1 A 95 95 SER HA H 95 5.060 4.476 0.584 1 1 995 . 1 1 1 A 95 95 SER C C 95 174.400 174.013 0.387 1 1 996 . 1 1 1 A 95 95 SER CA C 95 58.000 58.711 -0.711 1 1 997 . 1 1 1 A 95 95 SER CB C 95 65.100 64.155 0.945 1 1 998 . 1 1 1 A 95 95 SER N N 95 119.300 117.409 1.891 1 1 999 . 1 1 1 A 96 96 ALA H H 96 8.340 8.693 -0.353 1 1 1000 . 1 1 1 A 96 96 ALA HA H 96 3.830 4.354 -0.524 1 1 1004 . 1 1 1 A 96 96 ALA C C 96 176.800 177.883 -1.083 1 1 1005 . 1 1 1 A 96 96 ALA CA C 96 53.200 52.410 0.790 1 1 1006 . 1 1 1 A 96 96 ALA CB C 96 19.700 19.259 0.441 1 1 1007 . 1 1 1 A 96 96 ALA N N 96 126.000 125.300 0.700 1 1 1008 . 1 1 1 A 97 97 THR H H 97 7.150 8.591 -1.441 1 1 1009 . 1 1 1 A 97 97 THR HA H 97 4.760 4.810 -0.050 1 1 1014 . 1 1 1 A 97 97 THR C C 97 173.100 173.615 -0.515 1 1 1015 . 1 1 1 A 97 97 THR CA C 97 60.300 60.064 0.236 1 1 1016 . 1 1 1 A 97 97 THR CB C 97 71.600 71.247 0.353 1 1 1018 . 1 1 1 A 97 97 THR N N 97 109.600 110.852 -1.252 1 1 1019 . 1 1 1 A 98 98 ASN H H 98 8.920 8.662 0.258 1 1 1020 . 1 1 1 A 98 98 ASN HA H 98 4.030 4.287 -0.257 1 1 1025 . 1 1 1 A 98 98 ASN C C 98 173.600 173.658 -0.058 1 1 1026 . 1 1 1 A 98 98 ASN CA C 98 53.800 54.418 -0.618 1 1 1027 . 1 1 1 A 98 98 ASN CB C 98 35.500 37.308 -1.808 1 1 1028 . 1 1 1 A 98 98 ASN N N 98 112.300 117.841 -5.541 1 1 1030 . 1 1 1 A 99 99 VAL H H 99 7.170 7.666 -0.496 1 1 1031 . 1 1 1 A 99 99 VAL HA H 99 4.920 4.856 0.064 1 1 1039 . 1 1 1 A 99 99 VAL C C 99 172.400 174.169 -1.769 1 1 1040 . 1 1 1 A 99 99 VAL CA C 99 60.100 59.576 0.524 1 1 1041 . 1 1 1 A 99 99 VAL CB C 99 34.800 35.704 -0.904 1 1 1044 . 1 1 1 A 99 99 VAL N N 99 112.000 117.711 -5.711 1 1 1045 . 1 1 1 A 100 100 GLY H H 100 8.480 8.546 -0.066 1 1 1046 . 1 1 1 A 100 100 GLY HA2 H 100 3.960 4.360 -0.400 1 1 1047 . 1 1 1 A 100 100 GLY HA3 H 100 4.530 4.383 0.147 1 1 1048 . 1 1 1 A 100 100 GLY C C 100 172.600 172.509 0.091 1 1 1049 . 1 1 1 A 100 100 GLY CA C 100 45.000 45.136 -0.136 1 1 1050 . 1 1 1 A 100 100 GLY N N 100 112.100 112.983 -0.883 1 1 1051 . 1 1 1 A 101 101 VAL H H 101 8.030 8.696 -0.666 1 1 1052 . 1 1 1 A 101 101 VAL HA H 101 4.680 4.499 0.181 1 1 1060 . 1 1 1 A 101 101 VAL C C 101 174.500 174.933 -0.433 1 1 1061 . 1 1 1 A 101 101 VAL CA C 101 61.300 60.890 0.410 1 1 1062 . 1 1 1 A 101 101 VAL CB C 101 34.900 32.894 2.006 1 1 1065 . 1 1 1 A 101 101 VAL N N 101 120.000 117.580 2.420 1 1 1066 . 1 1 1 A 102 102 GLN H H 102 9.150 8.366 0.784 1 1 1067 . 1 1 1 A 102 102 GLN HA H 102 4.700 4.802 -0.102 1 1 1074 . 1 1 1 A 102 102 GLN C C 102 173.600 174.723 -1.123 1 1 1075 . 1 1 1 A 102 102 GLN CA C 102 54.100 54.246 -0.146 1 1 1076 . 1 1 1 A 102 102 GLN CB C 102 34.200 32.688 1.512 1 1 1078 . 1 1 1 A 102 102 GLN N N 102 124.500 121.545 2.955 1 1 1080 . 1 1 1 A 103 103 ILE H H 103 9.560 8.442 1.118 1 1 1081 . 1 1 1 A 103 103 ILE HA H 103 4.440 4.876 -0.436 1 1 1091 . 1 1 1 A 103 103 ILE C C 103 174.000 174.559 -0.559 1 1 1092 . 1 1 1 A 103 103 ILE CA C 103 60.800 60.020 0.780 1 1 1093 . 1 1 1 A 103 103 ILE CB C 103 39.600 41.226 -1.626 1 1 1097 . 1 1 1 A 103 103 ILE N N 103 123.600 120.883 2.717 1 1 1098 . 1 1 1 A 104 104 LEU H H 104 9.380 9.261 0.119 1 1 1099 . 1 1 1 A 104 104 LEU HA H 104 5.320 5.247 0.073 1 1 1109 . 1 1 1 A 104 104 LEU C C 104 177.700 176.277 1.423 1 1 1110 . 1 1 1 A 104 104 LEU CA C 104 52.500 53.387 -0.887 1 1 1111 . 1 1 1 A 104 104 LEU CB C 104 43.900 45.362 -1.462 1 1 1115 . 1 1 1 A 104 104 LEU N N 104 125.000 126.846 -1.846 1 1 1116 . 1 1 1 A 105 105 ASP H H 105 8.200 8.744 -0.544 1 1 1117 . 1 1 1 A 105 105 ASP HA H 105 4.960 4.729 0.231 1 1 1120 . 1 1 1 A 105 105 ASP C C 105 179.000 177.685 1.315 1 1 1121 . 1 1 1 A 105 105 ASP CA C 105 52.000 53.277 -1.277 1 1 1122 . 1 1 1 A 105 105 ASP CB C 105 42.700 41.847 0.853 1 1 1123 . 1 1 1 A 105 105 ASP N N 105 117.900 122.590 -4.690 1 1 1124 . 1 1 1 A 106 106 ARG H H 106 8.680 8.627 0.053 1 1 1125 . 1 1 1 A 106 106 ARG HA H 106 4.040 3.973 0.067 1 1 1131 . 1 1 1 A 106 106 ARG C C 106 177.000 177.273 -0.273 1 1 1132 . 1 1 1 A 106 106 ARG CA C 106 58.300 58.556 -0.256 1 1 1133 . 1 1 1 A 106 106 ARG CB C 106 29.300 29.624 -0.324 1 1 1136 . 1 1 1 A 106 106 ARG N N 106 117.500 118.386 -0.886 1 1 1138 . 1 1 1 A 107 107 THR H H 107 8.180 7.799 0.381 1 1 1139 . 1 1 1 A 107 107 THR HA H 107 4.380 4.237 0.143 1 1 1144 . 1 1 1 A 107 107 THR C C 107 175.800 175.977 -0.177 1 1 1145 . 1 1 1 A 107 107 THR CA C 107 62.100 62.913 -0.813 1 1 1146 . 1 1 1 A 107 107 THR CB C 107 70.200 70.434 -0.234 1 1 1148 . 1 1 1 A 107 107 THR N N 107 111.000 109.272 1.728 1 1 1149 . 1 1 1 A 108 108 GLY H H 108 8.250 8.187 0.063 1 1 1150 . 1 1 1 A 108 108 GLY HA2 H 108 3.460 3.919 -0.459 1 1 1151 . 1 1 1 A 108 108 GLY HA3 H 108 4.310 3.926 0.384 1 1 1152 . 1 1 1 A 108 108 GLY C C 108 172.600 174.219 -1.619 1 1 1153 . 1 1 1 A 108 108 GLY CA C 108 45.000 45.322 -0.322 1 1 1154 . 1 1 1 A 108 108 GLY N N 108 109.900 110.886 -0.986 1 1 1155 . 1 1 1 A 109 109 ALA H H 109 7.380 7.857 -0.477 1 1 1156 . 1 1 1 A 109 109 ALA HA H 109 4.280 4.356 -0.076 1 1 1160 . 1 1 1 A 109 109 ALA C C 109 176.300 176.950 -0.650 1 1 1161 . 1 1 1 A 109 109 ALA CA C 109 51.500 51.865 -0.365 1 1 1162 . 1 1 1 A 109 109 ALA CB C 109 19.800 19.992 -0.192 1 1 1163 . 1 1 1 A 109 109 ALA N N 109 123.700 123.762 -0.062 1 1 1164 . 1 1 1 A 110 110 ALA H H 110 8.240 8.325 -0.085 1 1 1165 . 1 1 1 A 110 110 ALA HA H 110 4.710 4.380 0.330 1 1 1169 . 1 1 1 A 110 110 ALA C C 110 178.500 177.711 0.789 1 1 1170 . 1 1 1 A 110 110 ALA CA C 110 51.500 52.159 -0.659 1 1 1171 . 1 1 1 A 110 110 ALA CB C 110 18.800 18.935 -0.135 1 1 1172 . 1 1 1 A 110 110 ALA N N 110 123.400 124.514 -1.114 1 1 1173 . 1 1 1 A 111 111 LEU H H 111 8.880 8.615 0.265 1 1 1174 . 1 1 1 A 111 111 LEU HA H 111 4.480 4.388 0.092 1 1 1184 . 1 1 1 A 111 111 LEU C C 111 176.900 176.695 0.205 1 1 1185 . 1 1 1 A 111 111 LEU CA C 111 54.500 54.566 -0.066 1 1 1186 . 1 1 1 A 111 111 LEU CB C 111 42.400 42.525 -0.125 1 1 1190 . 1 1 1 A 111 111 LEU N N 111 125.900 123.242 2.658 1 1 1191 . 1 1 1 A 112 112 THR H H 112 7.980 8.640 -0.660 1 1 1192 . 1 1 1 A 112 112 THR HA H 112 3.940 4.802 -0.862 1 1 1197 . 1 1 1 A 112 112 THR C C 112 174.700 174.318 0.382 1 1 1198 . 1 1 1 A 112 112 THR CA C 112 63.600 61.609 1.991 1 1 1199 . 1 1 1 A 112 112 THR CB C 112 69.100 70.295 -1.195 1 1 1201 . 1 1 1 A 112 112 THR N N 112 114.300 117.684 -3.384 1 1 1202 . 1 1 1 A 113 113 LEU H H 113 7.460 8.694 -1.234 1 1 1203 . 1 1 1 A 113 113 LEU HA H 113 4.860 4.782 0.078 1 1 1213 . 1 1 1 A 113 113 LEU C C 113 177.000 176.408 0.592 1 1 1214 . 1 1 1 A 113 113 LEU CA C 113 54.700 54.485 0.215 1 1 1215 . 1 1 1 A 113 113 LEU CB C 113 42.100 39.855 2.245 1 1 1219 . 1 1 1 A 113 113 LEU N N 113 124.600 126.886 -2.286 1 1 1220 . 1 1 1 A 114 114 ASP H H 114 7.680 8.380 -0.700 1 1 1221 . 1 1 1 A 114 114 ASP HA H 114 4.640 4.840 -0.200 1 1 1224 . 1 1 1 A 114 114 ASP C C 114 178.100 177.025 1.075 1 1 1225 . 1 1 1 A 114 114 ASP CA C 114 53.600 53.623 -0.023 1 1 1226 . 1 1 1 A 114 114 ASP CB C 114 41.400 42.543 -1.143 1 1 1227 . 1 1 1 A 114 114 ASP N N 114 116.100 123.597 -7.497 1 1 1228 . 1 1 1 A 115 115 GLY H H 115 8.730 8.213 0.517 1 1 1229 . 1 1 1 A 115 115 GLY HA2 H 115 3.920 3.920 0.000 1 1 1230 . 1 1 1 A 115 115 GLY HA3 H 115 3.190 3.930 -0.740 1 1 1231 . 1 1 1 A 115 115 GLY C C 115 172.400 174.257 -1.857 1 1 1232 . 1 1 1 A 115 115 GLY CA C 115 46.500 45.797 0.703 1 1 1233 . 1 1 1 A 115 115 GLY N N 115 110.200 107.900 2.300 1 1 1234 . 1 1 1 A 116 116 ALA H H 116 7.930 7.865 0.065 1 1 1235 . 1 1 1 A 116 116 ALA HA H 116 4.380 4.601 -0.221 1 1 1239 . 1 1 1 A 116 116 ALA C C 116 176.100 177.209 -1.109 1 1 1240 . 1 1 1 A 116 116 ALA CA C 116 51.300 51.323 -0.023 1 1 1241 . 1 1 1 A 116 116 ALA CB C 116 20.700 21.015 -0.315 1 1 1242 . 1 1 1 A 116 116 ALA N N 116 120.900 121.237 -0.337 1 1 1243 . 1 1 1 A 117 117 THR H H 117 7.720 7.570 0.150 1 1 1244 . 1 1 1 A 117 117 THR HA H 117 4.400 4.366 0.034 1 1 1249 . 1 1 1 A 117 117 THR C C 117 173.700 174.177 -0.477 1 1 1250 . 1 1 1 A 117 117 THR CA C 117 62.000 62.593 -0.593 1 1 1251 . 1 1 1 A 117 117 THR CB C 117 68.400 67.906 0.494 1 1 1253 . 1 1 1 A 117 117 THR N N 117 118.200 116.151 2.049 1 1 1254 . 1 1 1 A 118 118 PHE H H 118 8.880 8.579 0.301 1 1 1255 . 1 1 1 A 118 118 PHE HA H 118 4.280 4.786 -0.506 1 1 1256 . 1 1 1 A 118 118 PHE C C 118 176.400 175.417 0.983 1 1 1257 . 1 1 1 A 118 118 PHE CA C 118 59.000 56.810 2.190 1 1 1258 . 1 1 1 A 118 118 PHE CB C 118 40.300 39.711 0.589 1 1 1259 . 1 1 1 A 118 118 PHE N N 118 126.400 126.313 0.087 1 1 1260 . 1 1 1 A 119 119 SER H H 119 9.240 8.481 0.759 1 1 1261 . 1 1 1 A 119 119 SER HA H 119 4.570 4.698 -0.128 1 1 1264 . 1 1 1 A 119 119 SER C C 119 172.700 172.727 -0.027 1 1 1265 . 1 1 1 A 119 119 SER CA C 119 58.100 56.174 1.926 1 1 1266 . 1 1 1 A 119 119 SER CB C 119 66.400 66.603 -0.203 1 1 1267 . 1 1 1 A 119 119 SER N N 119 116.900 113.591 3.309 1 1 1268 . 1 1 1 A 120 120 SER H H 120 9.030 8.523 0.507 1 1 1269 . 1 1 1 A 120 120 SER HA H 120 4.220 4.285 -0.065 1 1 1272 . 1 1 1 A 120 120 SER C C 120 175.800 174.453 1.347 1 1 1273 . 1 1 1 A 120 120 SER CA C 120 59.500 58.722 0.778 1 1 1274 . 1 1 1 A 120 120 SER CB C 120 62.800 63.429 -0.629 1 1 1275 . 1 1 1 A 120 120 SER N N 120 113.500 116.493 -2.993 1 1 1276 . 1 1 1 A 121 121 GLU H H 121 8.890 8.604 0.286 1 1 1277 . 1 1 1 A 121 121 GLU HA H 121 4.440 4.837 -0.397 1 1 1282 . 1 1 1 A 121 121 GLU C C 121 177.300 175.810 1.490 1 1 1283 . 1 1 1 A 121 121 GLU CA C 121 57.400 56.307 1.093 1 1 1284 . 1 1 1 A 121 121 GLU CB C 121 30.600 30.380 0.220 1 1 1286 . 1 1 1 A 121 121 GLU N N 121 123.700 127.811 -4.111 1 1 1287 . 1 1 1 A 122 122 THR H H 122 9.370 8.891 0.479 1 1 1288 . 1 1 1 A 122 122 THR HA H 122 4.530 4.496 0.034 1 1 1293 . 1 1 1 A 122 122 THR C C 122 173.900 174.388 -0.488 1 1 1294 . 1 1 1 A 122 122 THR CA C 122 62.500 62.479 0.021 1 1 1295 . 1 1 1 A 122 122 THR CB C 122 72.000 69.323 2.677 1 1 1297 . 1 1 1 A 122 122 THR N N 122 122.600 121.541 1.059 1 1 1298 . 1 1 1 A 123 123 THR H H 123 8.930 8.725 0.205 1 1 1299 . 1 1 1 A 123 123 THR HA H 123 4.400 4.350 0.050 1 1 1304 . 1 1 1 A 123 123 THR C C 123 173.900 174.593 -0.693 1 1 1305 . 1 1 1 A 123 123 THR CA C 123 63.500 64.218 -0.718 1 1 1306 . 1 1 1 A 123 123 THR CB C 123 68.700 68.851 -0.151 1 1 1308 . 1 1 1 A 123 123 THR N N 123 124.900 122.457 2.443 1 1 1309 . 1 1 1 A 124 124 LEU H H 124 8.360 9.206 -0.846 1 1 1310 . 1 1 1 A 124 124 LEU HA H 124 4.240 4.774 -0.534 1 1 1320 . 1 1 1 A 124 124 LEU C C 124 176.400 175.822 0.578 1 1 1321 . 1 1 1 A 124 124 LEU CA C 124 54.300 54.449 -0.149 1 1 1322 . 1 1 1 A 124 124 LEU CB C 124 43.300 42.203 1.097 1 1 1326 . 1 1 1 A 124 124 LEU N N 124 127.700 128.361 -0.661 1 1 1327 . 1 1 1 A 125 125 ASN H H 125 8.950 8.950 0.000 1 1 1328 . 1 1 1 A 125 125 ASN HA H 125 4.930 5.254 -0.324 1 1 1333 . 1 1 1 A 125 125 ASN C C 125 175.800 174.346 1.454 1 1 1334 . 1 1 1 A 125 125 ASN CA C 125 51.100 51.676 -0.576 1 1 1335 . 1 1 1 A 125 125 ASN CB C 125 41.800 42.099 -0.299 1 1 1336 . 1 1 1 A 125 125 ASN N N 125 117.400 115.341 2.059 1 1 1338 . 1 1 1 A 126 126 ASN H H 126 8.890 8.793 0.097 1 1 1339 . 1 1 1 A 126 126 ASN HA H 126 4.640 4.594 0.046 1 1 1344 . 1 1 1 A 126 126 ASN C C 126 177.400 176.268 1.132 1 1 1345 . 1 1 1 A 126 126 ASN CA C 126 54.500 54.955 -0.455 1 1 1346 . 1 1 1 A 126 126 ASN CB C 126 38.200 38.155 0.045 1 1 1347 . 1 1 1 A 126 126 ASN N N 126 120.300 119.498 0.802 1 1 1349 . 1 1 1 A 127 127 GLY H H 127 9.090 8.771 0.319 1 1 1350 . 1 1 1 A 127 127 GLY HA2 H 127 3.650 3.928 -0.278 1 1 1351 . 1 1 1 A 127 127 GLY HA3 H 127 4.400 3.928 0.472 1 1 1352 . 1 1 1 A 127 127 GLY CA C 127 45.600 46.040 -0.440 1 1 1353 . 1 1 1 A 127 127 GLY N N 127 112.300 110.575 1.725 1 1 1354 . 1 1 1 A 128 128 THR H H 128 8.870 8.307 0.563 1 1 1355 . 1 1 1 A 128 128 THR HA H 128 5.270 5.221 0.049 1 1 1360 . 1 1 1 A 128 128 THR C C 128 175.700 173.631 2.069 1 1 1361 . 1 1 1 A 128 128 THR CA C 128 63.500 61.347 2.153 1 1 1362 . 1 1 1 A 128 128 THR CB C 128 69.600 71.744 -2.144 1 1 1364 . 1 1 1 A 128 128 THR N N 128 123.700 116.691 7.009 1 1 1365 . 1 1 1 A 129 129 ASN H H 129 10.060 8.850 1.210 1 1 1366 . 1 1 1 A 129 129 ASN HA H 129 5.070 5.333 -0.263 1 1 1371 . 1 1 1 A 129 129 ASN C C 129 172.700 174.495 -1.795 1 1 1372 . 1 1 1 A 129 129 ASN CA C 129 52.700 52.316 0.384 1 1 1373 . 1 1 1 A 129 129 ASN CB C 129 44.400 43.258 1.142 1 1 1374 . 1 1 1 A 129 129 ASN N N 129 125.700 122.825 2.875 1 1 1376 . 1 1 1 A 130 130 THR H H 130 9.030 8.950 0.080 1 1 1377 . 1 1 1 A 130 130 THR HA H 130 4.790 5.285 -0.495 1 1 1382 . 1 1 1 A 130 130 THR C C 130 172.900 172.958 -0.058 1 1 1383 . 1 1 1 A 130 130 THR CA C 130 61.800 61.553 0.247 1 1 1384 . 1 1 1 A 130 130 THR CB C 130 70.100 71.713 -1.613 1 1 1386 . 1 1 1 A 130 130 THR N N 130 117.800 115.412 2.388 1 1 1387 . 1 1 1 A 131 131 ILE H H 131 9.050 8.565 0.485 1 1 1388 . 1 1 1 A 131 131 ILE HA H 131 4.480 4.668 -0.188 1 1 1398 . 1 1 1 A 131 131 ILE CA C 131 58.300 58.296 0.004 1 1 1399 . 1 1 1 A 131 131 ILE CB C 131 39.600 38.445 1.155 1 1 1403 . 1 1 1 A 131 131 ILE N N 131 128.200 128.012 0.188 1 1 1404 . 1 1 1 A 132 132 PRO HA H 132 4.940 4.788 0.152 1 1 1409 . 1 1 1 A 132 132 PRO C C 132 175.200 174.942 0.258 1 1 1410 . 1 1 1 A 132 132 PRO CA C 132 62.200 62.140 0.060 1 1 1411 . 1 1 1 A 132 132 PRO CB C 132 32.900 32.419 0.481 1 1 1414 . 1 1 1 A 133 133 PHE H H 133 8.460 8.382 0.078 1 1 1415 . 1 1 1 A 133 133 PHE HA H 133 4.530 5.088 -0.558 1 1 1418 . 1 1 1 A 133 133 PHE C C 133 175.600 174.001 1.599 1 1 1419 . 1 1 1 A 133 133 PHE CA C 133 57.000 56.137 0.863 1 1 1420 . 1 1 1 A 133 133 PHE CB C 133 45.000 43.746 1.254 1 1 1424 . 1 1 1 A 133 133 PHE N N 133 117.000 119.640 -2.640 1 1 1425 . 1 1 1 A 134 134 GLN H H 134 8.830 8.598 0.232 1 1 1426 . 1 1 1 A 134 134 GLN HA H 134 5.490 5.140 0.350 1 1 1431 . 1 1 1 A 134 134 GLN C C 134 174.500 174.855 -0.355 1 1 1432 . 1 1 1 A 134 134 GLN CA C 134 54.200 54.233 -0.033 1 1 1433 . 1 1 1 A 134 134 GLN CB C 134 35.000 32.095 2.905 1 1 1435 . 1 1 1 A 134 134 GLN N N 134 117.300 118.869 -1.569 1 1 1437 . 1 1 1 A 135 135 ALA H H 135 9.280 9.080 0.200 1 1 1438 . 1 1 1 A 135 135 ALA HA H 135 5.620 5.315 0.305 1 1 1442 . 1 1 1 A 135 135 ALA C C 135 174.900 175.482 -0.582 1 1 1443 . 1 1 1 A 135 135 ALA CA C 135 50.500 50.502 -0.002 1 1 1444 . 1 1 1 A 135 135 ALA CB C 135 25.000 23.741 1.259 1 1 1445 . 1 1 1 A 135 135 ALA N N 135 121.800 121.936 -0.136 1 1 1446 . 1 1 1 A 136 136 ARG H H 136 8.380 8.278 0.102 1 1 1447 . 1 1 1 A 136 136 ARG HA H 136 4.520 4.811 -0.291 1 1 1453 . 1 1 1 A 136 136 ARG C C 136 173.600 174.364 -0.764 1 1 1454 . 1 1 1 A 136 136 ARG CA C 136 53.900 54.683 -0.783 1 1 1455 . 1 1 1 A 136 136 ARG CB C 136 33.400 33.833 -0.433 1 1 1457 . 1 1 1 A 136 136 ARG N N 136 113.300 116.519 -3.219 1 1 1459 . 1 1 1 A 137 137 TYR H H 137 8.550 8.391 0.159 1 1 1460 . 1 1 1 A 137 137 TYR HA H 137 5.360 4.878 0.482 1 1 1463 . 1 1 1 A 137 137 TYR C C 137 175.500 175.359 0.141 1 1 1464 . 1 1 1 A 137 137 TYR CA C 137 58.300 59.195 -0.895 1 1 1465 . 1 1 1 A 137 137 TYR CB C 137 39.900 39.463 0.437 1 1 1468 . 1 1 1 A 137 137 TYR N N 137 118.500 121.310 -2.810 1 1 1469 . 1 1 1 A 138 138 PHE H H 138 8.870 9.444 -0.574 1 1 1470 . 1 1 1 A 138 138 PHE HA H 138 4.920 5.315 -0.395 1 1 1474 . 1 1 1 A 138 138 PHE C C 138 173.600 173.755 -0.155 1 1 1475 . 1 1 1 A 138 138 PHE CA C 138 56.400 56.404 -0.004 1 1 1476 . 1 1 1 A 138 138 PHE CB C 138 44.100 41.878 2.222 1 1 1480 . 1 1 1 A 138 138 PHE N N 138 122.300 124.181 -1.881 1 1 1481 . 1 1 1 A 139 139 ALA H H 139 8.730 8.618 0.112 1 1 1482 . 1 1 1 A 139 139 ALA HA H 139 5.040 4.657 0.383 1 1 1486 . 1 1 1 A 139 139 ALA C C 139 176.200 178.604 -2.404 1 1 1487 . 1 1 1 A 139 139 ALA CA C 139 51.000 51.521 -0.521 1 1 1488 . 1 1 1 A 139 139 ALA CB C 139 19.700 19.303 0.397 1 1 1489 . 1 1 1 A 139 139 ALA N N 139 131.200 130.276 0.924 1 1 1490 . 1 1 1 A 140 140 THR H H 140 8.230 9.007 -0.777 1 1 1491 . 1 1 1 A 140 140 THR HA H 140 4.260 4.577 -0.317 1 1 1496 . 1 1 1 A 140 140 THR C C 140 173.800 174.059 -0.259 1 1 1497 . 1 1 1 A 140 140 THR CA C 140 60.800 61.427 -0.627 1 1 1498 . 1 1 1 A 140 140 THR CB C 140 67.100 69.181 -2.081 1 1 1500 . 1 1 1 A 140 140 THR N N 140 111.900 112.138 -0.238 1 1 1501 . 1 1 1 A 141 141 GLY H H 141 7.450 7.309 0.141 1 1 1502 . 1 1 1 A 141 141 GLY HA2 H 141 3.620 4.042 -0.422 1 1 1503 . 1 1 1 A 141 141 GLY HA3 H 141 3.710 4.057 -0.347 1 1 1504 . 1 1 1 A 141 141 GLY C C 141 169.500 171.842 -2.342 1 1 1505 . 1 1 1 A 141 141 GLY CA C 141 44.300 45.975 -1.675 1 1 1506 . 1 1 1 A 141 141 GLY N N 141 110.300 109.329 0.971 1 1 1507 . 1 1 1 A 142 142 ALA H H 142 8.280 8.164 0.116 1 1 1508 . 1 1 1 A 142 142 ALA HA H 142 4.260 4.321 -0.061 1 1 1512 . 1 1 1 A 142 142 ALA C C 142 177.200 177.154 0.046 1 1 1513 . 1 1 1 A 142 142 ALA CA C 142 52.100 52.130 -0.030 1 1 1514 . 1 1 1 A 142 142 ALA CB C 142 17.200 18.882 -1.682 1 1 1515 . 1 1 1 A 142 142 ALA N N 142 121.800 124.213 -2.413 1 1 1516 . 1 1 1 A 143 143 ALA H H 143 8.520 8.024 0.496 1 1 1517 . 1 1 1 A 143 143 ALA HA H 143 4.670 4.466 0.204 1 1 1521 . 1 1 1 A 143 143 ALA C C 143 178.100 176.978 1.122 1 1 1522 . 1 1 1 A 143 143 ALA CA C 143 52.500 52.143 0.357 1 1 1523 . 1 1 1 A 143 143 ALA CB C 143 21.200 19.816 1.384 1 1 1524 . 1 1 1 A 143 143 ALA N N 143 130.000 125.567 4.433 1 1 1525 . 1 1 1 A 144 144 THR H H 144 7.590 8.293 -0.703 1 1 1526 . 1 1 1 A 144 144 THR HA H 144 4.710 4.991 -0.281 1 1 1531 . 1 1 1 A 144 144 THR CA C 144 58.200 58.242 -0.042 1 1 1532 . 1 1 1 A 144 144 THR CB C 144 68.100 70.481 -2.381 1 1 1534 . 1 1 1 A 144 144 THR N N 144 110.000 108.991 1.009 1 1 1535 . 1 1 1 A 145 145 PRO HA H 145 4.020 4.491 -0.471 1 1 1542 . 1 1 1 A 145 145 PRO C C 145 176.700 176.316 0.384 1 1 1543 . 1 1 1 A 145 145 PRO CA C 145 62.600 62.966 -0.366 1 1 1544 . 1 1 1 A 145 145 PRO CB C 145 33.000 33.312 -0.312 1 1 1547 . 1 1 1 A 146 146 GLY H H 146 8.850 8.354 0.496 1 1 1548 . 1 1 1 A 146 146 GLY HA2 H 146 3.790 4.156 -0.366 1 1 1549 . 1 1 1 A 146 146 GLY HA3 H 146 4.360 4.161 0.199 1 1 1550 . 1 1 1 A 146 146 GLY C C 146 172.500 172.265 0.235 1 1 1551 . 1 1 1 A 146 146 GLY CA C 146 44.200 45.845 -1.645 1 1 1552 . 1 1 1 A 146 146 GLY N N 146 107.700 109.607 -1.907 1 1 1553 . 1 1 1 A 147 147 ALA H H 147 8.360 8.396 -0.036 1 1 1554 . 1 1 1 A 147 147 ALA HA H 147 4.160 5.058 -0.898 1 1 1558 . 1 1 1 A 147 147 ALA C C 147 177.900 175.366 2.534 1 1 1559 . 1 1 1 A 147 147 ALA CA C 147 54.200 51.160 3.040 1 1 1560 . 1 1 1 A 147 147 ALA CB C 147 19.400 23.626 -4.226 1 1 1561 . 1 1 1 A 147 147 ALA N N 147 122.500 124.274 -1.774 1 1 1562 . 1 1 1 A 148 148 ALA H H 148 8.660 8.384 0.276 1 1 1563 . 1 1 1 A 148 148 ALA HA H 148 4.940 4.688 0.252 1 1 1567 . 1 1 1 A 148 148 ALA C C 148 173.800 176.010 -2.210 1 1 1568 . 1 1 1 A 148 148 ALA CA C 148 51.200 51.141 0.059 1 1 1569 . 1 1 1 A 148 148 ALA CB C 148 18.300 18.910 -0.610 1 1 1570 . 1 1 1 A 148 148 ALA N N 148 129.300 121.422 7.878 1 1 1571 . 1 1 1 A 149 149 ASN H H 149 8.820 8.514 0.306 1 1 1572 . 1 1 1 A 149 149 ASN HA H 149 5.640 5.911 -0.271 1 1 1577 . 1 1 1 A 149 149 ASN C C 149 174.400 174.568 -0.168 1 1 1578 . 1 1 1 A 149 149 ASN CA C 149 51.300 51.990 -0.690 1 1 1579 . 1 1 1 A 149 149 ASN CB C 149 40.400 41.498 -1.098 1 1 1580 . 1 1 1 A 149 149 ASN N N 149 121.200 118.439 2.761 1 1 1582 . 1 1 1 A 150 150 ALA H H 150 9.100 9.450 -0.350 1 1 1583 . 1 1 1 A 150 150 ALA HA H 150 4.890 5.011 -0.121 1 1 1587 . 1 1 1 A 150 150 ALA C C 150 174.600 174.996 -0.396 1 1 1588 . 1 1 1 A 150 150 ALA CA C 150 52.200 51.387 0.813 1 1 1589 . 1 1 1 A 150 150 ALA CB C 150 25.100 24.207 0.893 1 1 1590 . 1 1 1 A 150 150 ALA N N 150 122.600 122.284 0.316 1 1 1591 . 1 1 1 A 151 151 ASP H H 151 9.010 8.883 0.127 1 1 1592 . 1 1 1 A 151 151 ASP HA H 151 5.870 5.566 0.304 1 1 1595 . 1 1 1 A 151 151 ASP C C 151 174.100 174.658 -0.558 1 1 1596 . 1 1 1 A 151 151 ASP CA C 151 53.400 53.023 0.377 1 1 1597 . 1 1 1 A 151 151 ASP CB C 151 45.300 42.350 2.950 1 1 1598 . 1 1 1 A 151 151 ASP N N 151 120.000 117.787 2.213 1 1 1599 . 1 1 1 A 152 152 ALA H H 152 8.870 8.666 0.204 1 1 1600 . 1 1 1 A 152 152 ALA HA H 152 5.160 4.779 0.381 1 1 1604 . 1 1 1 A 152 152 ALA C C 152 176.400 177.214 -0.814 1 1 1605 . 1 1 1 A 152 152 ALA CA C 152 51.200 52.104 -0.904 1 1 1606 . 1 1 1 A 152 152 ALA CB C 152 23.400 20.431 2.969 1 1 1607 . 1 1 1 A 152 152 ALA N N 152 120.700 128.021 -7.321 1 1 1608 . 1 1 1 A 153 153 THR H H 153 8.830 8.442 0.388 1 1 1609 . 1 1 1 A 153 153 THR HA H 153 5.350 5.179 0.171 1 1 1614 . 1 1 1 A 153 153 THR C C 153 173.900 173.994 -0.094 1 1 1615 . 1 1 1 A 153 153 THR CA C 153 60.100 59.502 0.598 1 1 1616 . 1 1 1 A 153 153 THR CB C 153 71.900 71.726 0.174 1 1 1618 . 1 1 1 A 153 153 THR N N 153 111.300 109.627 1.673 1 1 1619 . 1 1 1 A 154 154 PHE H H 154 8.460 8.801 -0.341 1 1 1620 . 1 1 1 A 154 154 PHE HA H 154 5.760 5.330 0.430 1 1 1621 . 1 1 1 A 154 154 PHE C C 154 174.500 173.453 1.047 1 1 1622 . 1 1 1 A 154 154 PHE CA C 154 55.600 54.580 1.020 1 1 1623 . 1 1 1 A 154 154 PHE CB C 154 42.300 41.514 0.786 1 1 1625 . 1 1 1 A 154 154 PHE N N 154 114.500 117.243 -2.743 1 1 1626 . 1 1 1 A 155 155 LYS H H 155 8.780 8.848 -0.068 1 1 1627 . 1 1 1 A 155 155 LYS HA H 155 4.810 4.774 0.036 1 1 1632 . 1 1 1 A 155 155 LYS C C 155 174.800 175.759 -0.959 1 1 1633 . 1 1 1 A 155 155 LYS CA C 155 54.600 54.375 0.225 1 1 1634 . 1 1 1 A 155 155 LYS CB C 155 36.800 35.752 1.048 1 1 1638 . 1 1 1 A 155 155 LYS N N 155 120.700 119.160 1.540 1 1 1639 . 1 1 1 A 156 156 VAL H H 156 8.690 8.774 -0.084 1 1 1640 . 1 1 1 A 156 156 VAL HA H 156 4.840 4.733 0.107 1 1 1648 . 1 1 1 A 156 156 VAL C C 156 173.200 174.417 -1.217 1 1 1649 . 1 1 1 A 156 156 VAL CA C 156 60.900 61.503 -0.603 1 1 1650 . 1 1 1 A 156 156 VAL CB C 156 34.100 34.043 0.057 1 1 1653 . 1 1 1 A 156 156 VAL N N 156 120.300 121.076 -0.776 1 1 1654 . 1 1 1 A 157 157 GLN H H 157 9.040 8.813 0.227 1 1 1655 . 1 1 1 A 157 157 GLN HA H 157 5.130 4.852 0.278 1 1 1662 . 1 1 1 A 157 157 GLN C C 157 174.300 174.481 -0.181 1 1 1663 . 1 1 1 A 157 157 GLN CA C 157 53.500 54.653 -1.153 1 1 1664 . 1 1 1 A 157 157 GLN CB C 157 34.500 28.652 5.848 1 1 1666 . 1 1 1 A 157 157 GLN N N 157 126.200 128.240 -2.040 1 1 1668 . 1 1 1 A 158 158 TYR H H 158 9.130 8.759 0.371 1 1 1669 . 1 1 1 A 158 158 TYR HA H 158 5.310 4.759 0.551 1 1 1672 . 1 1 1 A 158 158 TYR C C 158 175.800 175.765 0.035 1 1 1673 . 1 1 1 A 158 158 TYR CA C 158 56.800 58.812 -2.012 1 1 1674 . 1 1 1 A 158 158 TYR CB C 158 40.600 39.635 0.965 1 1 1677 . 1 1 1 A 158 158 TYR N N 158 126.400 126.804 -0.404 1 1 1678 . 1 1 1 A 159 159 GLN H H 159 8.580 8.525 0.055 1 1 1679 . 1 1 1 A 159 159 GLN HA H 159 4.890 5.316 -0.426 1 1 1686 . 1 1 1 A 159 159 GLN C C 159 175.800 174.872 0.928 1 1 1687 . 1 1 1 A 159 159 GLN CA C 159 54.800 54.341 0.459 1 1 1688 . 1 1 1 A 159 159 GLN CB C 159 32.500 31.707 0.793 1 1 1690 . 1 1 1 A 159 159 GLN N N 159 119.700 118.544 1.156 1 1 1692 . 1 1 1 A 160 160 GLY H H 160 8.740 8.383 0.357 1 1 1693 . 1 1 1 A 160 160 GLY HA2 H 160 4.120 3.994 0.126 1 1 1694 . 1 1 1 A 160 160 GLY HA3 H 160 4.180 4.008 0.172 1 1 1695 . 1 1 1 A 160 160 GLY C C 160 174.800 175.418 -0.618 1 1 1696 . 1 1 1 A 160 160 GLY CA C 160 45.400 46.629 -1.229 1 1 1697 . 1 1 1 A 160 160 GLY N N 160 109.800 109.357 0.443 1 1 1698 . 1 1 1 A 161 161 GLY H H 161 8.560 8.311 0.249 1 1 1699 . 1 1 1 A 161 161 GLY C C 161 175.300 173.721 1.579 1 1 1700 . 1 1 1 A 161 161 GLY CA C 161 45.100 45.609 -0.509 1 1 1701 . 1 1 1 A 161 161 GLY N N 161 109.200 106.276 2.924 1 1 1702 . 1 1 1 A 162 162 GLY H H 162 8.480 7.593 0.887 1 1 1703 . 1 1 1 A 162 162 GLY HA2 H 162 4.040 4.057 -0.017 1 1 1704 . 1 1 1 A 162 162 GLY HA3 H 162 3.910 4.058 -0.148 1 1 1705 . 1 1 1 A 162 162 GLY C C 162 175.400 174.106 1.294 1 1 1706 . 1 1 1 A 162 162 GLY CA C 162 45.800 44.306 1.494 1 1 1707 . 1 1 1 A 162 162 GLY N N 162 108.700 107.072 1.628 1 1 1708 . 1 1 1 A 163 163 GLY H H 163 8.500 8.854 -0.354 1 1 1709 . 1 1 1 A 163 163 GLY HA2 H 163 3.960 4.022 -0.062 1 1 1710 . 1 1 1 A 163 163 GLY HA3 H 163 3.980 4.023 -0.043 1 1 1711 . 1 1 1 A 163 163 GLY C C 163 175.400 174.342 1.058 1 1 1712 . 1 1 1 A 163 163 GLY CA C 163 45.700 45.638 0.062 1 1 1713 . 1 1 1 A 163 163 GLY N N 163 109.000 107.705 1.295 1 1 1714 . 1 1 1 A 164 164 GLY H H 164 8.290 8.518 -0.228 1 1 1715 . 1 1 1 A 164 164 GLY HA2 H 164 3.890 4.052 -0.162 1 1 1716 . 1 1 1 A 164 164 GLY HA3 H 164 3.980 4.054 -0.074 1 1 1717 . 1 1 1 A 164 164 GLY C C 164 175.100 174.778 0.322 1 1 1718 . 1 1 1 A 164 164 GLY CA C 164 45.700 45.528 0.172 1 1 1719 . 1 1 1 A 164 164 GLY N N 164 109.100 107.172 1.928 1 1 1720 . 1 1 1 A 165 165 GLY H H 165 8.210 8.276 -0.066 1 1 1721 . 1 1 1 A 165 165 GLY HA2 H 165 3.950 4.051 -0.101 1 1 1722 . 1 1 1 A 165 165 GLY HA3 H 165 3.920 4.055 -0.135 1 1 1723 . 1 1 1 A 165 165 GLY C C 165 173.900 174.191 -0.291 1 1 1724 . 1 1 1 A 165 165 GLY CA C 165 45.200 46.369 -1.169 1 1 1725 . 1 1 1 A 165 165 GLY N N 165 108.500 108.212 0.288 1 1 1726 . 1 1 1 A 166 166 ALA H H 166 8.110 7.987 0.123 1 1 1727 . 1 1 1 A 166 166 ALA HA H 166 4.370 3.983 0.387 1 1 1731 . 1 1 1 A 166 166 ALA C C 166 177.100 176.235 0.865 1 1 1732 . 1 1 1 A 166 166 ALA CA C 166 52.100 52.741 -0.641 1 1 1733 . 1 1 1 A 166 166 ALA CB C 166 19.800 17.750 2.050 1 1 1734 . 1 1 1 A 166 166 ALA N N 166 123.800 119.960 3.840 1 1 1735 . 1 1 1 A 167 167 ALA H H 167 8.350 8.075 0.275 1 1 1736 . 1 1 1 A 167 167 ALA HA H 167 4.840 5.335 -0.495 1 1 1740 . 1 1 1 A 167 167 ALA C C 167 177.800 175.457 2.343 1 1 1741 . 1 1 1 A 167 167 ALA CA C 167 51.900 50.679 1.221 1 1 1742 . 1 1 1 A 167 167 ALA CB C 167 20.000 23.433 -3.433 1 1 1743 . 1 1 1 A 167 167 ALA N N 167 123.800 123.590 0.210 1 1 1744 . 1 1 1 A 168 168 THR H H 168 8.580 9.055 -0.475 1 1 1745 . 1 1 1 A 168 168 THR HA H 168 4.600 5.082 -0.482 1 1 1750 . 1 1 1 A 168 168 THR C C 168 173.300 173.407 -0.107 1 1 1751 . 1 1 1 A 168 168 THR CA C 168 61.900 61.812 0.088 1 1 1752 . 1 1 1 A 168 168 THR CB C 168 71.300 71.178 0.122 1 1 1754 . 1 1 1 A 168 168 THR N N 168 117.900 115.403 2.497 1 1 1755 . 1 1 1 A 169 169 THR H H 169 8.710 8.982 -0.272 1 1 1756 . 1 1 1 A 169 169 THR HA H 169 5.300 5.055 0.245 1 1 1761 . 1 1 1 A 169 169 THR C C 169 174.300 174.722 -0.422 1 1 1762 . 1 1 1 A 169 169 THR CA C 169 61.700 61.769 -0.069 1 1 1763 . 1 1 1 A 169 169 THR CB C 169 70.000 68.496 1.504 1 1 1765 . 1 1 1 A 169 169 THR N N 169 122.400 123.026 -0.626 1 1 1766 . 1 1 1 A 170 170 VAL H H 170 9.280 8.504 0.776 1 1 1767 . 1 1 1 A 170 170 VAL HA H 170 4.770 4.462 0.308 1 1 1775 . 1 1 1 A 170 170 VAL C C 170 175.300 175.685 -0.385 1 1 1776 . 1 1 1 A 170 170 VAL CA C 170 59.000 60.755 -1.755 1 1 1777 . 1 1 1 A 170 170 VAL CB C 170 35.500 33.814 1.686 1 1 1780 . 1 1 1 A 170 170 VAL N N 170 120.400 123.350 -2.950 1 1 1781 . 1 1 1 A 171 171 ASN H H 171 8.770 8.503 0.267 1 1 1782 . 1 1 1 A 171 171 ASN HA H 171 4.470 4.579 -0.109 1 1 1785 . 1 1 1 A 171 171 ASN C C 171 174.900 175.435 -0.535 1 1 1786 . 1 1 1 A 171 171 ASN CA C 171 54.700 53.712 0.988 1 1 1787 . 1 1 1 A 171 171 ASN CB C 171 38.200 39.382 -1.182 1 1 1788 . 1 1 1 A 171 171 ASN N N 171 121.100 120.692 0.408 1 1 1790 . 1 1 1 A 172 172 GLY H H 172 8.390 7.730 0.660 1 1 1791 . 1 1 1 A 172 172 GLY HA2 H 172 2.980 3.287 -0.307 1 1 1792 . 1 1 1 A 172 172 GLY HA3 H 172 3.970 3.981 -0.011 1 1 1793 . 1 1 1 A 172 172 GLY C C 172 171.500 173.460 -1.960 1 1 1794 . 1 1 1 A 172 172 GLY CA C 172 46.000 44.809 1.191 1 1 1795 . 1 1 1 A 172 172 GLY N N 172 113.000 109.363 3.637 1 1 1796 . 1 1 1 A 173 173 GLY H H 173 5.960 6.382 -0.422 1 1 1797 . 1 1 1 A 173 173 GLY HA2 H 173 3.790 3.837 -0.047 1 1 1798 . 1 1 1 A 173 173 GLY HA3 H 173 4.110 3.850 0.260 1 1 1799 . 1 1 1 A 173 173 GLY C C 173 172.000 171.961 0.039 1 1 1800 . 1 1 1 A 173 173 GLY CA C 173 46.400 44.677 1.723 1 1 1801 . 1 1 1 A 173 173 GLY N N 173 106.500 105.507 0.993 1 1 1802 . 1 1 1 A 174 174 THR H H 174 8.600 8.482 0.118 1 1 1803 . 1 1 1 A 174 174 THR HA H 174 4.890 4.792 0.098 1 1 1808 . 1 1 1 A 174 174 THR C C 174 172.300 173.697 -1.397 1 1 1809 . 1 1 1 A 174 174 THR CA C 174 62.000 61.678 0.322 1 1 1810 . 1 1 1 A 174 174 THR CB C 174 71.400 70.335 1.065 1 1 1812 . 1 1 1 A 174 174 THR N N 174 118.800 116.414 2.386 1 1 1813 . 1 1 1 A 175 175 VAL H H 175 9.140 9.284 -0.144 1 1 1814 . 1 1 1 A 175 175 VAL HA H 175 4.150 4.255 -0.105 1 1 1822 . 1 1 1 A 175 175 VAL C C 175 172.500 174.718 -2.218 1 1 1823 . 1 1 1 A 175 175 VAL CA C 175 60.400 61.220 -0.820 1 1 1824 . 1 1 1 A 175 175 VAL CB C 175 33.800 32.593 1.207 1 1 1827 . 1 1 1 A 175 175 VAL N N 175 124.600 126.537 -1.937 1 1 1828 . 1 1 1 A 176 176 HIS H H 176 8.470 8.758 -0.288 1 1 1829 . 1 1 1 A 176 176 HIS HA H 176 5.170 4.696 0.474 1 1 1834 . 1 1 1 A 176 176 HIS C C 176 173.300 174.530 -1.230 1 1 1835 . 1 1 1 A 176 176 HIS CA C 176 53.000 54.905 -1.905 1 1 1836 . 1 1 1 A 176 176 HIS CB C 176 28.700 28.429 0.271 1 1 1839 . 1 1 1 A 176 176 HIS N N 176 123.100 126.147 -3.047 1 1 1840 . 1 1 1 A 177 177 PHE H H 177 9.650 8.622 1.028 1 1 1841 . 1 1 1 A 177 177 PHE HA H 177 5.160 4.619 0.541 1 1 1845 . 1 1 1 A 177 177 PHE C C 177 176.600 175.797 0.803 1 1 1846 . 1 1 1 A 177 177 PHE CA C 177 57.500 58.774 -1.274 1 1 1847 . 1 1 1 A 177 177 PHE CB C 177 39.600 39.037 0.563 1 1 1851 . 1 1 1 A 177 177 PHE N N 177 123.700 124.704 -1.004 1 1 1852 . 1 1 1 A 178 178 LYS H H 178 8.860 8.843 0.017 1 1 1853 . 1 1 1 A 178 178 LYS HA H 178 5.600 5.172 0.428 1 1 1862 . 1 1 1 A 178 178 LYS C C 178 174.700 175.639 -0.939 1 1 1863 . 1 1 1 A 178 178 LYS CA C 178 54.200 54.862 -0.662 1 1 1864 . 1 1 1 A 178 178 LYS CB C 178 37.000 35.818 1.182 1 1 1868 . 1 1 1 A 178 178 LYS N N 178 124.000 123.060 0.940 1 1 1869 . 1 1 1 A 179 179 GLY H H 179 7.970 8.011 -0.041 1 1 1870 . 1 1 1 A 179 179 GLY HA2 H 179 4.010 4.241 -0.231 1 1 1871 . 1 1 1 A 179 179 GLY HA3 H 179 5.040 4.377 0.663 1 1 1872 . 1 1 1 A 179 179 GLY C C 179 172.900 171.143 1.757 1 1 1873 . 1 1 1 A 179 179 GLY CA C 179 46.600 44.437 2.163 1 1 1874 . 1 1 1 A 179 179 GLY N N 179 110.200 108.349 1.851 1 1 1875 . 1 1 1 A 180 180 GLU H H 180 8.470 8.279 0.191 1 1 1876 . 1 1 1 A 180 180 GLU HA H 180 4.660 4.928 -0.268 1 1 1879 . 1 1 1 A 180 180 GLU C C 180 173.100 173.673 -0.573 1 1 1880 . 1 1 1 A 180 180 GLU CA C 180 55.600 55.478 0.122 1 1 1881 . 1 1 1 A 180 180 GLU CB C 180 34.200 33.237 0.963 1 1 1883 . 1 1 1 A 180 180 GLU N N 180 117.000 119.812 -2.812 1 1 1884 . 1 1 1 A 181 181 VAL H H 181 8.580 8.321 0.259 1 1 1885 . 1 1 1 A 181 181 VAL HA H 181 4.970 4.974 -0.004 1 1 1893 . 1 1 1 A 181 181 VAL C C 181 177.100 175.150 1.950 1 1 1894 . 1 1 1 A 181 181 VAL CA C 181 60.200 60.792 -0.592 1 1 1895 . 1 1 1 A 181 181 VAL CB C 181 31.800 34.590 -2.790 1 1 1898 . 1 1 1 A 181 181 VAL N N 181 124.000 121.905 2.095 1 1 1899 . 1 1 1 A 182 182 VAL H H 182 9.100 9.354 -0.254 1 1 1900 . 1 1 1 A 182 182 VAL HA H 182 4.730 4.750 -0.020 1 1 1908 . 1 1 1 A 182 182 VAL C C 182 175.000 175.344 -0.344 1 1 1909 . 1 1 1 A 182 182 VAL CA C 182 59.100 58.997 0.103 1 1 1910 . 1 1 1 A 182 182 VAL CB C 182 35.000 34.396 0.604 1 1 1913 . 1 1 1 A 182 182 VAL N N 182 122.200 122.131 0.069 1 1 1914 . 1 1 1 A 183 183 ASN H H 183 8.960 8.707 0.253 1 1 1915 . 1 1 1 A 183 183 ASN HA H 183 4.870 4.891 -0.021 1 1 1920 . 1 1 1 A 183 183 ASN C C 183 174.300 174.589 -0.289 1 1 1921 . 1 1 1 A 183 183 ASN CA C 183 53.400 52.068 1.332 1 1 1922 . 1 1 1 A 183 183 ASN CB C 183 38.800 38.084 0.716 1 1 1923 . 1 1 1 A 183 183 ASN N N 183 121.300 121.765 -0.465 1 1 1 . 2 1 1 A 3 3 THR H H 3 8.300 7.952 0.348 1 1 2 . 2 1 1 A 3 3 THR HA H 3 4.410 4.256 0.154 1 1 7 . 2 1 1 A 3 3 THR C C 3 174.700 174.198 0.502 1 1 8 . 2 1 1 A 3 3 THR CA C 3 61.600 63.332 -1.732 1 1 9 . 2 1 1 A 3 3 THR CB C 3 69.900 68.677 1.223 1 1 11 . 2 1 1 A 3 3 THR N N 3 114.000 112.225 1.775 1 1 12 . 2 1 1 A 4 4 THR H H 4 8.230 8.643 -0.413 1 1 13 . 2 1 1 A 4 4 THR HA H 4 4.420 4.132 0.288 1 1 18 . 2 1 1 A 4 4 THR C C 4 174.600 173.852 0.748 1 1 19 . 2 1 1 A 4 4 THR CA C 4 61.600 62.827 -1.227 1 1 20 . 2 1 1 A 4 4 THR CB C 4 70.000 66.629 3.371 1 1 22 . 2 1 1 A 4 4 THR N N 4 116.800 117.416 -0.616 1 1 23 . 2 1 1 A 5 5 VAL H H 5 8.280 7.863 0.417 1 1 24 . 2 1 1 A 5 5 VAL HA H 5 4.130 4.298 -0.168 1 1 26 . 2 1 1 A 5 5 VAL C C 5 176.100 174.839 1.261 1 1 27 . 2 1 1 A 5 5 VAL CA C 5 62.400 60.308 2.092 1 1 28 . 2 1 1 A 5 5 VAL CB C 5 32.800 34.739 -1.939 1 1 30 . 2 1 1 A 5 5 VAL N N 5 122.500 126.010 -3.510 1 1 31 . 2 1 1 A 6 6 ASN H H 6 8.610 9.352 -0.742 1 1 32 . 2 1 1 A 6 6 ASN HA H 6 4.710 4.408 0.302 1 1 37 . 2 1 1 A 6 6 ASN C C 6 175.800 175.527 0.273 1 1 38 . 2 1 1 A 6 6 ASN CA C 6 53.400 54.482 -1.082 1 1 39 . 2 1 1 A 6 6 ASN CB C 6 38.900 37.004 1.896 1 1 40 . 2 1 1 A 6 6 ASN N N 6 122.600 127.689 -5.089 1 1 42 . 2 1 1 A 7 7 GLY H H 7 8.450 8.465 -0.015 1 1 43 . 2 1 1 A 7 7 GLY C C 7 174.800 174.779 0.021 1 1 44 . 2 1 1 A 7 7 GLY CA C 7 45.600 47.309 -1.709 1 1 45 . 2 1 1 A 7 7 GLY N N 7 109.700 107.857 1.843 1 1 46 . 2 1 1 A 8 8 GLY H H 8 8.280 8.593 -0.313 1 1 47 . 2 1 1 A 8 8 GLY HA2 H 8 3.960 4.123 -0.163 1 1 48 . 2 1 1 A 8 8 GLY HA3 H 8 4.030 4.130 -0.100 1 1 49 . 2 1 1 A 8 8 GLY C C 8 174.200 173.894 0.306 1 1 50 . 2 1 1 A 8 8 GLY CA C 8 45.200 45.712 -0.512 1 1 51 . 2 1 1 A 8 8 GLY N N 8 108.500 113.705 -5.205 1 1 52 . 2 1 1 A 9 9 THR H H 9 8.100 8.625 -0.525 1 1 53 . 2 1 1 A 9 9 THR HA H 9 4.320 4.028 0.292 1 1 58 . 2 1 1 A 9 9 THR C C 9 174.500 173.879 0.621 1 1 59 . 2 1 1 A 9 9 THR CA C 9 62.000 62.852 -0.852 1 1 60 . 2 1 1 A 9 9 THR CB C 9 69.900 67.938 1.962 1 1 62 . 2 1 1 A 9 9 THR N N 9 114.300 115.325 -1.025 1 1 63 . 2 1 1 A 10 10 VAL H H 10 8.170 8.403 -0.233 1 1 64 . 2 1 1 A 10 10 VAL HA H 10 4.040 3.708 0.332 1 1 72 . 2 1 1 A 10 10 VAL C C 10 175.600 175.690 -0.090 1 1 73 . 2 1 1 A 10 10 VAL CA C 10 62.200 63.130 -0.930 1 1 74 . 2 1 1 A 10 10 VAL CB C 10 32.800 29.519 3.281 1 1 77 . 2 1 1 A 10 10 VAL N N 10 122.900 126.024 -3.124 1 1 78 . 2 1 1 A 11 11 HIS H H 11 8.420 8.632 -0.212 1 1 79 . 2 1 1 A 11 11 HIS HA H 11 4.670 4.256 0.414 1 1 84 . 2 1 1 A 11 11 HIS CA C 11 55.700 56.667 -0.967 1 1 85 . 2 1 1 A 11 11 HIS CB C 11 30.500 27.196 3.304 1 1 88 . 2 1 1 A 11 11 HIS N N 11 123.300 119.861 3.439 1 1 89 . 2 1 1 A 12 12 PHE H H 12 8.310 7.811 0.499 1 1 90 . 2 1 1 A 12 12 PHE HA H 12 4.620 4.832 -0.212 1 1 94 . 2 1 1 A 12 12 PHE C C 12 175.500 174.533 0.967 1 1 95 . 2 1 1 A 12 12 PHE CA C 12 57.700 56.196 1.504 1 1 96 . 2 1 1 A 12 12 PHE CB C 12 39.900 39.792 0.108 1 1 100 . 2 1 1 A 12 12 PHE N N 12 122.300 118.807 3.493 1 1 101 . 2 1 1 A 13 13 LYS H H 13 8.450 8.830 -0.380 1 1 102 . 2 1 1 A 13 13 LYS HA H 13 4.230 4.873 -0.643 1 1 107 . 2 1 1 A 13 13 LYS C C 13 176.600 175.883 0.717 1 1 108 . 2 1 1 A 13 13 LYS CA C 13 56.500 55.128 1.372 1 1 109 . 2 1 1 A 13 13 LYS CB C 13 32.900 34.144 -1.244 1 1 113 . 2 1 1 A 13 13 LYS N N 13 124.300 123.639 0.661 1 1 114 . 2 1 1 A 14 14 GLY H H 14 7.940 8.737 -0.797 1 1 115 . 2 1 1 A 14 14 GLY HA2 H 14 3.860 4.176 -0.316 1 1 116 . 2 1 1 A 14 14 GLY HA3 H 14 3.920 4.180 -0.260 1 1 117 . 2 1 1 A 14 14 GLY C C 14 173.800 173.808 -0.008 1 1 118 . 2 1 1 A 14 14 GLY CA C 14 45.200 45.756 -0.556 1 1 119 . 2 1 1 A 14 14 GLY N N 14 109.800 112.709 -2.909 1 1 120 . 2 1 1 A 15 15 GLU H H 15 8.220 7.820 0.400 1 1 121 . 2 1 1 A 15 15 GLU HA H 15 4.290 4.621 -0.331 1 1 126 . 2 1 1 A 15 15 GLU C C 15 176.400 176.140 0.260 1 1 127 . 2 1 1 A 15 15 GLU CA C 15 56.500 55.123 1.377 1 1 128 . 2 1 1 A 15 15 GLU CB C 15 30.500 32.471 -1.971 1 1 130 . 2 1 1 A 15 15 GLU N N 15 120.600 119.902 0.698 1 1 131 . 2 1 1 A 16 16 VAL H H 16 8.300 8.523 -0.223 1 1 132 . 2 1 1 A 16 16 VAL HA H 16 4.110 3.871 0.239 1 1 140 . 2 1 1 A 16 16 VAL C C 16 176.000 175.931 0.069 1 1 141 . 2 1 1 A 16 16 VAL CA C 16 62.300 65.384 -3.084 1 1 142 . 2 1 1 A 16 16 VAL CB C 16 32.900 31.910 0.990 1 1 145 . 2 1 1 A 16 16 VAL N N 16 122.100 122.718 -0.618 1 1 146 . 2 1 1 A 17 17 VAL H H 17 8.290 7.952 0.338 1 1 147 . 2 1 1 A 17 17 VAL HA H 17 4.110 3.797 0.313 1 1 149 . 2 1 1 A 17 17 VAL C C 17 175.500 174.803 0.697 1 1 150 . 2 1 1 A 17 17 VAL CA C 17 62.000 63.123 -1.123 1 1 151 . 2 1 1 A 17 17 VAL CB C 17 32.800 29.507 3.293 1 1 153 . 2 1 1 A 17 17 VAL N N 17 124.800 119.650 5.150 1 1 154 . 2 1 1 A 18 18 ASN H H 18 8.470 7.508 0.962 1 1 155 . 2 1 1 A 18 18 ASN HA H 18 4.710 5.353 -0.643 1 1 160 . 2 1 1 A 18 18 ASN C C 18 174.100 173.808 0.292 1 1 161 . 2 1 1 A 18 18 ASN CA C 18 52.800 52.164 0.636 1 1 162 . 2 1 1 A 18 18 ASN CB C 18 39.000 42.844 -3.844 1 1 163 . 2 1 1 A 18 18 ASN N N 18 123.200 119.753 3.447 1 1 165 . 2 1 1 A 19 19 ALA H H 19 8.140 8.221 -0.081 1 1 166 . 2 1 1 A 19 19 ALA HA H 19 4.080 4.352 -0.272 1 1 170 . 2 1 1 A 19 19 ALA C C 19 178.000 176.964 1.036 1 1 171 . 2 1 1 A 19 19 ALA CA C 19 51.700 51.428 0.272 1 1 172 . 2 1 1 A 19 19 ALA CB C 19 20.300 22.304 -2.004 1 1 173 . 2 1 1 A 19 19 ALA N N 19 123.400 121.621 1.779 1 1 174 . 2 1 1 A 20 20 ALA H H 20 6.480 6.615 -0.135 1 1 175 . 2 1 1 A 20 20 ALA HA H 20 3.710 3.857 -0.147 1 1 179 . 2 1 1 A 20 20 ALA C C 20 176.000 176.775 -0.775 1 1 180 . 2 1 1 A 20 20 ALA CA C 20 54.700 53.455 1.245 1 1 181 . 2 1 1 A 20 20 ALA CB C 20 21.000 18.931 2.069 1 1 182 . 2 1 1 A 20 20 ALA N N 20 120.900 121.416 -0.516 1 1 183 . 2 1 1 A 21 21 CYS H H 21 6.330 7.367 -1.037 1 1 184 . 2 1 1 A 21 21 CYS HA H 21 4.780 5.082 -0.302 1 1 187 . 2 1 1 A 21 21 CYS C C 21 172.500 171.952 0.548 1 1 188 . 2 1 1 A 21 21 CYS CA C 21 53.100 54.938 -1.838 1 1 189 . 2 1 1 A 21 21 CYS CB C 21 50.500 48.164 2.336 1 1 190 . 2 1 1 A 21 21 CYS N N 21 107.800 114.220 -6.420 1 1 191 . 2 1 1 A 22 22 ALA H H 22 8.910 8.949 -0.039 1 1 192 . 2 1 1 A 22 22 ALA HA H 22 4.770 4.606 0.164 1 1 196 . 2 1 1 A 22 22 ALA C C 22 176.800 177.212 -0.412 1 1 197 . 2 1 1 A 22 22 ALA CA C 22 50.600 51.147 -0.547 1 1 198 . 2 1 1 A 22 22 ALA CB C 22 21.600 19.389 2.211 1 1 199 . 2 1 1 A 22 22 ALA N N 22 123.900 125.580 -1.680 1 1 200 . 2 1 1 A 23 23 VAL H H 23 8.820 8.520 0.300 1 1 201 . 2 1 1 A 23 23 VAL HA H 23 4.100 4.152 -0.052 1 1 209 . 2 1 1 A 23 23 VAL C C 23 176.500 176.143 0.357 1 1 210 . 2 1 1 A 23 23 VAL CA C 23 63.700 63.353 0.347 1 1 211 . 2 1 1 A 23 23 VAL CB C 23 31.500 31.679 -0.179 1 1 214 . 2 1 1 A 23 23 VAL N N 23 123.600 124.198 -0.598 1 1 215 . 2 1 1 A 24 24 ASP H H 24 8.660 8.867 -0.207 1 1 216 . 2 1 1 A 24 24 ASP HA H 24 4.310 4.520 -0.210 1 1 219 . 2 1 1 A 24 24 ASP C C 24 177.600 177.559 0.041 1 1 220 . 2 1 1 A 24 24 ASP CA C 24 56.100 54.731 1.369 1 1 221 . 2 1 1 A 24 24 ASP CB C 24 44.700 43.027 1.673 1 1 222 . 2 1 1 A 24 24 ASP N N 24 128.000 128.640 -0.640 1 1 223 . 2 1 1 A 25 25 ALA H H 25 8.870 8.997 -0.127 1 1 224 . 2 1 1 A 25 25 ALA HA H 25 4.150 3.951 0.199 1 1 228 . 2 1 1 A 25 25 ALA C C 25 180.200 179.998 0.202 1 1 229 . 2 1 1 A 25 25 ALA CA C 25 55.800 55.250 0.550 1 1 230 . 2 1 1 A 25 25 ALA CB C 25 18.700 18.276 0.424 1 1 231 . 2 1 1 A 25 25 ALA N N 25 127.900 127.969 -0.069 1 1 232 . 2 1 1 A 26 26 GLY H H 26 8.700 8.857 -0.157 1 1 233 . 2 1 1 A 26 26 GLY HA2 H 26 4.170 3.891 0.279 1 1 234 . 2 1 1 A 26 26 GLY HA3 H 26 3.850 3.892 -0.042 1 1 235 . 2 1 1 A 26 26 GLY C C 26 175.100 176.404 -1.304 1 1 236 . 2 1 1 A 26 26 GLY CA C 26 46.200 47.374 -1.174 1 1 237 . 2 1 1 A 26 26 GLY N N 26 105.300 105.968 -0.668 1 1 238 . 2 1 1 A 27 27 SER H H 27 8.300 7.867 0.433 1 1 239 . 2 1 1 A 27 27 SER HA H 27 4.910 4.370 0.540 1 1 242 . 2 1 1 A 27 27 SER C C 27 174.600 176.217 -1.617 1 1 243 . 2 1 1 A 27 27 SER CA C 27 59.300 62.547 -3.247 1 1 244 . 2 1 1 A 27 27 SER CB C 27 65.700 63.232 2.468 1 1 245 . 2 1 1 A 27 27 SER N N 27 113.400 119.048 -5.648 1 1 246 . 2 1 1 A 28 28 VAL H H 28 7.290 7.602 -0.312 1 1 247 . 2 1 1 A 28 28 VAL HA H 28 4.070 4.005 0.065 1 1 255 . 2 1 1 A 28 28 VAL C C 28 176.300 176.243 0.057 1 1 256 . 2 1 1 A 28 28 VAL CA C 28 64.700 65.823 -1.123 1 1 257 . 2 1 1 A 28 28 VAL CB C 28 32.700 31.882 0.818 1 1 260 . 2 1 1 A 28 28 VAL N N 28 119.000 121.941 -2.941 1 1 261 . 2 1 1 A 29 29 ASP H H 29 7.910 8.165 -0.255 1 1 262 . 2 1 1 A 29 29 ASP HA H 29 5.310 5.074 0.236 1 1 265 . 2 1 1 A 29 29 ASP C C 29 175.000 175.266 -0.266 1 1 266 . 2 1 1 A 29 29 ASP CA C 29 54.500 53.111 1.389 1 1 267 . 2 1 1 A 29 29 ASP CB C 29 42.700 41.984 0.716 1 1 268 . 2 1 1 A 29 29 ASP N N 29 123.100 120.541 2.559 1 1 269 . 2 1 1 A 30 30 GLN H H 30 7.680 7.588 0.092 1 1 270 . 2 1 1 A 30 30 GLN HA H 30 4.840 4.479 0.361 1 1 275 . 2 1 1 A 30 30 GLN C C 30 173.900 175.763 -1.863 1 1 276 . 2 1 1 A 30 30 GLN CA C 30 55.000 55.720 -0.720 1 1 277 . 2 1 1 A 30 30 GLN CB C 30 32.400 29.213 3.187 1 1 279 . 2 1 1 A 30 30 GLN N N 30 119.700 118.892 0.808 1 1 281 . 2 1 1 A 31 31 THR H H 31 8.960 8.662 0.298 1 1 282 . 2 1 1 A 31 31 THR HA H 31 5.160 5.078 0.082 1 1 287 . 2 1 1 A 31 31 THR C C 31 173.600 173.561 0.039 1 1 288 . 2 1 1 A 31 31 THR CA C 31 62.000 62.185 -0.185 1 1 289 . 2 1 1 A 31 31 THR CB C 31 70.300 69.028 1.272 1 1 291 . 2 1 1 A 31 31 THR N N 31 118.900 120.027 -1.127 1 1 292 . 2 1 1 A 32 32 VAL H H 32 9.210 8.763 0.447 1 1 293 . 2 1 1 A 32 32 VAL HA H 32 4.070 4.385 -0.315 1 1 301 . 2 1 1 A 32 32 VAL C C 32 174.400 175.140 -0.740 1 1 302 . 2 1 1 A 32 32 VAL CA C 32 61.200 62.358 -1.158 1 1 303 . 2 1 1 A 32 32 VAL CB C 32 33.600 30.828 2.772 1 1 306 . 2 1 1 A 32 32 VAL N N 32 131.300 127.848 3.452 1 1 307 . 2 1 1 A 33 33 GLN H H 33 8.890 8.260 0.630 1 1 308 . 2 1 1 A 33 33 GLN HA H 33 4.760 4.506 0.254 1 1 315 . 2 1 1 A 33 33 GLN C C 33 175.900 175.681 0.219 1 1 316 . 2 1 1 A 33 33 GLN CA C 33 54.400 55.413 -1.013 1 1 317 . 2 1 1 A 33 33 GLN CB C 33 27.500 27.993 -0.493 1 1 319 . 2 1 1 A 33 33 GLN N N 33 127.200 127.759 -0.559 1 1 321 . 2 1 1 A 34 34 LEU H H 34 9.510 9.283 0.227 1 1 322 . 2 1 1 A 34 34 LEU HA H 34 4.290 4.312 -0.022 1 1 332 . 2 1 1 A 34 34 LEU C C 34 177.900 177.063 0.837 1 1 333 . 2 1 1 A 34 34 LEU CA C 34 56.200 55.600 0.600 1 1 334 . 2 1 1 A 34 34 LEU CB C 34 41.300 42.369 -1.069 1 1 338 . 2 1 1 A 34 34 LEU N N 34 126.800 126.438 0.362 1 1 339 . 2 1 1 A 35 35 GLY H H 35 8.310 7.907 0.403 1 1 340 . 2 1 1 A 35 35 GLY HA2 H 35 3.810 4.119 -0.309 1 1 341 . 2 1 1 A 35 35 GLY HA3 H 35 4.230 4.120 0.110 1 1 342 . 2 1 1 A 35 35 GLY C C 35 171.900 173.683 -1.783 1 1 343 . 2 1 1 A 35 35 GLY CA C 35 44.400 44.665 -0.265 1 1 344 . 2 1 1 A 35 35 GLY N N 35 106.500 106.278 0.222 1 1 345 . 2 1 1 A 36 36 GLN H H 36 7.990 8.385 -0.395 1 1 346 . 2 1 1 A 36 36 GLN HA H 36 5.310 4.549 0.761 1 1 353 . 2 1 1 A 36 36 GLN C C 36 176.700 175.475 1.225 1 1 354 . 2 1 1 A 36 36 GLN CA C 36 54.500 56.534 -2.034 1 1 355 . 2 1 1 A 36 36 GLN CB C 36 30.100 29.065 1.035 1 1 357 . 2 1 1 A 36 36 GLN N N 36 115.700 119.999 -4.299 1 1 359 . 2 1 1 A 37 37 VAL H H 37 8.910 8.822 0.088 1 1 360 . 2 1 1 A 37 37 VAL HA H 37 4.500 4.454 0.046 1 1 368 . 2 1 1 A 37 37 VAL C C 37 174.700 175.420 -0.720 1 1 369 . 2 1 1 A 37 37 VAL CA C 37 60.200 61.359 -1.159 1 1 370 . 2 1 1 A 37 37 VAL CB C 37 34.800 33.571 1.229 1 1 373 . 2 1 1 A 37 37 VAL N N 37 124.300 125.854 -1.554 1 1 374 . 2 1 1 A 38 38 ARG H H 38 8.750 8.946 -0.196 1 1 375 . 2 1 1 A 38 38 ARG HA H 38 4.940 4.460 0.480 1 1 381 . 2 1 1 A 38 38 ARG C C 38 179.500 177.743 1.757 1 1 382 . 2 1 1 A 38 38 ARG CA C 38 55.700 56.224 -0.524 1 1 383 . 2 1 1 A 38 38 ARG CB C 38 30.700 30.543 0.157 1 1 386 . 2 1 1 A 38 38 ARG N N 38 125.400 124.776 0.624 1 1 388 . 2 1 1 A 39 39 THR H H 39 8.820 9.010 -0.190 1 1 389 . 2 1 1 A 39 39 THR HA H 39 3.320 3.924 -0.604 1 1 394 . 2 1 1 A 39 39 THR C C 39 178.500 176.185 2.315 1 1 395 . 2 1 1 A 39 39 THR CA C 39 65.700 64.988 0.712 1 1 396 . 2 1 1 A 39 39 THR CB C 39 67.300 68.280 -0.980 1 1 398 . 2 1 1 A 39 39 THR N N 39 116.200 118.546 -2.346 1 1 399 . 2 1 1 A 40 40 ALA H H 40 8.060 8.157 -0.097 1 1 400 . 2 1 1 A 40 40 ALA HA H 40 4.110 3.990 0.120 1 1 404 . 2 1 1 A 40 40 ALA C C 40 178.900 179.850 -0.950 1 1 405 . 2 1 1 A 40 40 ALA CA C 40 54.500 55.516 -1.016 1 1 406 . 2 1 1 A 40 40 ALA CB C 40 18.800 18.586 0.214 1 1 407 . 2 1 1 A 40 40 ALA N N 40 121.200 125.579 -4.379 1 1 408 . 2 1 1 A 41 41 SER H H 41 7.580 7.850 -0.270 1 1 409 . 2 1 1 A 41 41 SER HA H 41 4.460 4.295 0.165 1 1 412 . 2 1 1 A 41 41 SER C C 41 172.900 173.890 -0.990 1 1 413 . 2 1 1 A 41 41 SER CA C 41 59.400 60.216 -0.816 1 1 414 . 2 1 1 A 41 41 SER CB C 41 63.700 63.249 0.451 1 1 415 . 2 1 1 A 41 41 SER N N 41 112.300 112.016 0.284 1 1 416 . 2 1 1 A 42 42 LEU H H 42 7.330 7.625 -0.295 1 1 417 . 2 1 1 A 42 42 LEU HA H 42 4.460 4.488 -0.028 1 1 427 . 2 1 1 A 42 42 LEU C C 42 174.400 175.768 -1.368 1 1 428 . 2 1 1 A 42 42 LEU CA C 42 52.100 54.211 -2.111 1 1 429 . 2 1 1 A 42 42 LEU CB C 42 43.800 42.766 1.034 1 1 433 . 2 1 1 A 42 42 LEU N N 42 124.500 121.895 2.605 1 1 434 . 2 1 1 A 43 43 ALA H H 43 7.520 8.631 -1.111 1 1 435 . 2 1 1 A 43 43 ALA HA H 43 4.550 4.588 -0.038 1 1 439 . 2 1 1 A 43 43 ALA C C 43 176.600 176.120 0.480 1 1 440 . 2 1 1 A 43 43 ALA CA C 43 53.300 51.619 1.681 1 1 441 . 2 1 1 A 43 43 ALA CB C 43 20.000 20.860 -0.860 1 1 442 . 2 1 1 A 43 43 ALA N N 43 118.200 124.440 -6.240 1 1 443 . 2 1 1 A 44 44 GLN H H 44 7.040 7.592 -0.552 1 1 444 . 2 1 1 A 44 44 GLN HA H 44 4.150 4.601 -0.451 1 1 449 . 2 1 1 A 44 44 GLN C C 44 172.800 173.397 -0.597 1 1 450 . 2 1 1 A 44 44 GLN CA C 44 53.400 54.137 -0.737 1 1 451 . 2 1 1 A 44 44 GLN CB C 44 31.600 32.205 -0.605 1 1 453 . 2 1 1 A 44 44 GLN N N 44 111.900 115.504 -3.604 1 1 455 . 2 1 1 A 45 45 GLU H H 45 8.490 8.611 -0.121 1 1 456 . 2 1 1 A 45 45 GLU HA H 45 3.680 3.837 -0.157 1 1 461 . 2 1 1 A 45 45 GLU C C 45 177.500 177.317 0.183 1 1 462 . 2 1 1 A 45 45 GLU CA C 45 57.100 58.156 -1.056 1 1 463 . 2 1 1 A 45 45 GLU CB C 45 28.500 29.283 -0.783 1 1 465 . 2 1 1 A 45 45 GLU N N 45 120.300 122.614 -2.314 1 1 466 . 2 1 1 A 46 46 GLY H H 46 8.520 8.917 -0.397 1 1 467 . 2 1 1 A 46 46 GLY HA2 H 46 4.140 3.109 1.031 1 1 468 . 2 1 1 A 46 46 GLY HA3 H 46 3.050 3.756 -0.706 1 1 469 . 2 1 1 A 46 46 GLY C C 46 173.900 174.504 -0.604 1 1 470 . 2 1 1 A 46 46 GLY CA C 46 44.400 44.921 -0.521 1 1 471 . 2 1 1 A 46 46 GLY N N 46 115.100 115.032 0.068 1 1 472 . 2 1 1 A 47 47 ALA H H 47 7.690 7.745 -0.055 1 1 473 . 2 1 1 A 47 47 ALA HA H 47 4.320 4.207 0.113 1 1 477 . 2 1 1 A 47 47 ALA C C 47 176.000 176.538 -0.538 1 1 478 . 2 1 1 A 47 47 ALA CA C 47 52.800 52.138 0.662 1 1 479 . 2 1 1 A 47 47 ALA CB C 47 19.900 19.742 0.158 1 1 480 . 2 1 1 A 47 47 ALA N N 47 123.600 123.141 0.459 1 1 481 . 2 1 1 A 48 48 THR H H 48 7.960 8.521 -0.561 1 1 482 . 2 1 1 A 48 48 THR HA H 48 5.440 5.089 0.351 1 1 487 . 2 1 1 A 48 48 THR C C 48 175.700 173.387 2.313 1 1 488 . 2 1 1 A 48 48 THR CA C 48 58.500 59.649 -1.149 1 1 489 . 2 1 1 A 48 48 THR CB C 48 73.500 72.369 1.131 1 1 491 . 2 1 1 A 48 48 THR N N 48 107.700 111.537 -3.837 1 1 492 . 2 1 1 A 49 49 SER H H 49 8.240 8.967 -0.727 1 1 493 . 2 1 1 A 49 49 SER HA H 49 4.810 4.622 0.188 1 1 494 . 2 1 1 A 49 49 SER C C 49 174.000 175.686 -1.686 1 1 495 . 2 1 1 A 49 49 SER CA C 49 57.100 57.756 -0.656 1 1 496 . 2 1 1 A 49 49 SER CB C 49 65.800 65.058 0.742 1 1 497 . 2 1 1 A 49 49 SER N N 49 115.400 117.170 -1.770 1 1 498 . 2 1 1 A 50 50 SER H H 50 8.640 8.691 -0.051 1 1 499 . 2 1 1 A 50 50 SER HA H 50 4.340 4.207 0.133 1 1 502 . 2 1 1 A 50 50 SER C C 50 174.200 174.837 -0.637 1 1 503 . 2 1 1 A 50 50 SER CA C 50 59.600 61.766 -2.166 1 1 504 . 2 1 1 A 50 50 SER CB C 50 63.200 63.384 -0.184 1 1 505 . 2 1 1 A 50 50 SER N N 50 114.800 117.615 -2.815 1 1 506 . 2 1 1 A 51 51 ALA H H 51 8.520 7.315 1.205 1 1 507 . 2 1 1 A 51 51 ALA HA H 51 4.640 4.569 0.071 1 1 511 . 2 1 1 A 51 51 ALA C C 51 177.800 175.090 2.710 1 1 512 . 2 1 1 A 51 51 ALA CA C 51 52.000 51.864 0.136 1 1 513 . 2 1 1 A 51 51 ALA CB C 51 20.100 22.286 -2.186 1 1 514 . 2 1 1 A 51 51 ALA N N 51 127.800 116.704 11.096 1 1 515 . 2 1 1 A 52 52 VAL H H 52 9.250 8.533 0.717 1 1 516 . 2 1 1 A 52 52 VAL HA H 52 4.380 4.880 -0.500 1 1 524 . 2 1 1 A 52 52 VAL C C 52 176.100 174.996 1.104 1 1 525 . 2 1 1 A 52 52 VAL CA C 52 61.200 60.961 0.239 1 1 526 . 2 1 1 A 52 52 VAL CB C 52 34.800 36.089 -1.289 1 1 529 . 2 1 1 A 52 52 VAL N N 52 122.200 119.750 2.450 1 1 530 . 2 1 1 A 53 53 GLY H H 53 8.730 9.043 -0.313 1 1 531 . 2 1 1 A 53 53 GLY HA2 H 53 4.890 4.211 0.679 1 1 532 . 2 1 1 A 53 53 GLY HA3 H 53 3.760 4.259 -0.499 1 1 533 . 2 1 1 A 53 53 GLY C C 53 173.700 173.037 0.663 1 1 534 . 2 1 1 A 53 53 GLY CA C 53 45.400 44.885 0.515 1 1 535 . 2 1 1 A 53 53 GLY N N 53 112.400 115.008 -2.608 1 1 536 . 2 1 1 A 54 54 PHE H H 54 8.500 8.488 0.012 1 1 537 . 2 1 1 A 54 54 PHE HA H 54 4.830 5.306 -0.476 1 1 539 . 2 1 1 A 54 54 PHE C C 54 171.300 174.478 -3.178 1 1 540 . 2 1 1 A 54 54 PHE CA C 54 56.900 55.344 1.556 1 1 541 . 2 1 1 A 54 54 PHE CB C 54 41.600 39.805 1.795 1 1 545 . 2 1 1 A 54 54 PHE N N 54 118.300 118.965 -0.665 1 1 546 . 2 1 1 A 55 55 ASN H H 55 9.240 8.693 0.547 1 1 547 . 2 1 1 A 55 55 ASN HA H 55 5.640 4.976 0.664 1 1 552 . 2 1 1 A 55 55 ASN C C 55 175.200 175.143 0.057 1 1 553 . 2 1 1 A 55 55 ASN CA C 55 51.800 52.229 -0.429 1 1 554 . 2 1 1 A 55 55 ASN CB C 55 43.000 39.943 3.057 1 1 555 . 2 1 1 A 55 55 ASN N N 55 117.100 120.535 -3.435 1 1 557 . 2 1 1 A 56 56 ILE H H 56 8.780 8.258 0.522 1 1 558 . 2 1 1 A 56 56 ILE HA H 56 4.150 4.510 -0.360 1 1 568 . 2 1 1 A 56 56 ILE C C 56 173.700 174.367 -0.667 1 1 569 . 2 1 1 A 56 56 ILE CA C 56 60.800 60.548 0.252 1 1 570 . 2 1 1 A 56 56 ILE CB C 56 40.000 39.085 0.915 1 1 574 . 2 1 1 A 56 56 ILE N N 56 119.900 122.123 -2.223 1 1 575 . 2 1 1 A 57 57 GLN H H 57 8.840 9.067 -0.227 1 1 576 . 2 1 1 A 57 57 GLN HA H 57 4.970 4.733 0.237 1 1 581 . 2 1 1 A 57 57 GLN C C 57 173.100 174.733 -1.633 1 1 582 . 2 1 1 A 57 57 GLN CA C 57 54.900 55.660 -0.760 1 1 583 . 2 1 1 A 57 57 GLN CB C 57 31.300 29.240 2.060 1 1 585 . 2 1 1 A 57 57 GLN N N 57 128.700 128.034 0.666 1 1 587 . 2 1 1 A 58 58 LEU H H 58 9.090 9.166 -0.076 1 1 588 . 2 1 1 A 58 58 LEU HA H 58 5.010 5.159 -0.149 1 1 598 . 2 1 1 A 58 58 LEU C C 58 174.700 176.680 -1.980 1 1 599 . 2 1 1 A 58 58 LEU CA C 58 52.600 53.697 -1.097 1 1 600 . 2 1 1 A 58 58 LEU CB C 58 43.800 42.980 0.820 1 1 604 . 2 1 1 A 58 58 LEU N N 58 126.800 129.953 -3.153 1 1 605 . 2 1 1 A 59 59 ASN H H 59 9.670 9.347 0.323 1 1 606 . 2 1 1 A 59 59 ASN HA H 59 5.130 5.053 0.077 1 1 611 . 2 1 1 A 59 59 ASN C C 59 175.700 174.693 1.007 1 1 612 . 2 1 1 A 59 59 ASN CA C 59 51.200 51.369 -0.169 1 1 613 . 2 1 1 A 59 59 ASN CB C 59 41.500 39.628 1.872 1 1 614 . 2 1 1 A 59 59 ASN N N 59 119.300 123.908 -4.608 1 1 616 . 2 1 1 A 60 60 ASP H H 60 9.440 8.954 0.486 1 1 617 . 2 1 1 A 60 60 ASP HA H 60 4.240 4.157 0.083 1 1 620 . 2 1 1 A 60 60 ASP C C 60 176.000 175.159 0.841 1 1 621 . 2 1 1 A 60 60 ASP CA C 60 55.200 54.992 0.208 1 1 622 . 2 1 1 A 60 60 ASP CB C 60 39.100 39.513 -0.413 1 1 623 . 2 1 1 A 60 60 ASP N N 60 115.200 118.116 -2.916 1 1 624 . 2 1 1 A 61 61 CYS H H 61 8.690 8.334 0.356 1 1 625 . 2 1 1 A 61 61 CYS HA H 61 5.240 4.860 0.380 1 1 628 . 2 1 1 A 61 61 CYS CA C 61 56.800 55.388 1.412 1 1 629 . 2 1 1 A 61 61 CYS CB C 61 41.800 40.681 1.119 1 1 630 . 2 1 1 A 61 61 CYS N N 61 114.600 117.749 -3.149 1 1 631 . 2 1 1 A 62 62 ASP H H 62 8.280 8.803 -0.523 1 1 632 . 2 1 1 A 62 62 ASP HA H 62 5.040 4.794 0.246 1 1 635 . 2 1 1 A 62 62 ASP C C 62 178.200 177.295 0.905 1 1 636 . 2 1 1 A 62 62 ASP CA C 62 52.300 53.985 -1.685 1 1 637 . 2 1 1 A 62 62 ASP CB C 62 42.000 41.526 0.474 1 1 638 . 2 1 1 A 62 62 ASP N N 62 122.300 126.710 -4.410 1 1 639 . 2 1 1 A 63 63 THR H H 63 8.620 9.058 -0.438 1 1 640 . 2 1 1 A 63 63 THR HA H 63 4.870 4.386 0.484 1 1 645 . 2 1 1 A 63 63 THR C C 63 176.500 176.209 0.291 1 1 646 . 2 1 1 A 63 63 THR CA C 63 63.100 64.754 -1.654 1 1 647 . 2 1 1 A 63 63 THR CB C 63 68.500 68.709 -0.209 1 1 649 . 2 1 1 A 63 63 THR N N 63 115.500 119.293 -3.793 1 1 650 . 2 1 1 A 64 64 ASN H H 64 8.800 8.017 0.783 1 1 651 . 2 1 1 A 64 64 ASN HA H 64 4.580 4.445 0.135 1 1 656 . 2 1 1 A 64 64 ASN C C 64 176.800 178.014 -1.214 1 1 657 . 2 1 1 A 64 64 ASN CA C 64 55.100 56.317 -1.217 1 1 658 . 2 1 1 A 64 64 ASN CB C 64 38.300 38.065 0.235 1 1 659 . 2 1 1 A 64 64 ASN N N 64 119.100 121.250 -2.150 1 1 661 . 2 1 1 A 65 65 VAL H H 65 7.780 7.286 0.494 1 1 662 . 2 1 1 A 65 65 VAL HA H 65 3.800 3.858 -0.058 1 1 670 . 2 1 1 A 65 65 VAL C C 65 175.900 176.143 -0.243 1 1 671 . 2 1 1 A 65 65 VAL CA C 65 64.400 64.503 -0.103 1 1 672 . 2 1 1 A 65 65 VAL CB C 65 32.500 32.305 0.195 1 1 675 . 2 1 1 A 65 65 VAL N N 65 120.800 116.706 4.094 1 1 676 . 2 1 1 A 66 66 ALA H H 66 7.400 7.410 -0.010 1 1 677 . 2 1 1 A 66 66 ALA HA H 66 4.270 4.570 -0.300 1 1 681 . 2 1 1 A 66 66 ALA C C 66 173.800 177.006 -3.206 1 1 682 . 2 1 1 A 66 66 ALA CA C 66 52.400 51.425 0.975 1 1 683 . 2 1 1 A 66 66 ALA CB C 66 23.400 23.012 0.388 1 1 684 . 2 1 1 A 66 66 ALA N N 66 118.100 119.729 -1.629 1 1 685 . 2 1 1 A 67 67 SER H H 67 8.070 8.443 -0.373 1 1 686 . 2 1 1 A 67 67 SER HA H 67 4.720 4.451 0.269 1 1 689 . 2 1 1 A 67 67 SER C C 67 175.100 174.237 0.863 1 1 690 . 2 1 1 A 67 67 SER CA C 67 57.800 59.270 -1.470 1 1 691 . 2 1 1 A 67 67 SER CB C 67 65.200 63.826 1.374 1 1 692 . 2 1 1 A 67 67 SER N N 67 109.700 114.537 -4.837 1 1 693 . 2 1 1 A 68 68 LYS H H 68 8.140 7.726 0.414 1 1 694 . 2 1 1 A 68 68 LYS HA H 68 5.450 4.861 0.589 1 1 699 . 2 1 1 A 68 68 LYS C C 68 174.600 174.790 -0.190 1 1 700 . 2 1 1 A 68 68 LYS CA C 68 54.900 55.128 -0.228 1 1 701 . 2 1 1 A 68 68 LYS CB C 68 38.000 37.210 0.790 1 1 705 . 2 1 1 A 68 68 LYS N N 68 121.300 119.682 1.618 1 1 706 . 2 1 1 A 69 69 ALA H H 69 8.560 8.176 0.384 1 1 707 . 2 1 1 A 69 69 ALA HA H 69 5.630 4.716 0.914 1 1 711 . 2 1 1 A 69 69 ALA C C 69 175.300 176.263 -0.963 1 1 712 . 2 1 1 A 69 69 ALA CA C 69 50.000 51.582 -1.582 1 1 713 . 2 1 1 A 69 69 ALA CB C 69 24.500 19.202 5.298 1 1 714 . 2 1 1 A 69 69 ALA N N 69 120.400 122.688 -2.288 1 1 715 . 2 1 1 A 70 70 ALA H H 70 8.660 9.014 -0.354 1 1 716 . 2 1 1 A 70 70 ALA HA H 70 4.660 4.527 0.133 1 1 720 . 2 1 1 A 70 70 ALA C C 70 175.000 176.953 -1.953 1 1 721 . 2 1 1 A 70 70 ALA CA C 70 51.400 51.910 -0.510 1 1 722 . 2 1 1 A 70 70 ALA CB C 70 23.800 20.299 3.501 1 1 723 . 2 1 1 A 70 70 ALA N N 70 121.800 124.749 -2.949 1 1 724 . 2 1 1 A 71 71 VAL H H 71 8.730 8.492 0.238 1 1 725 . 2 1 1 A 71 71 VAL HA H 71 5.230 5.071 0.159 1 1 733 . 2 1 1 A 71 71 VAL C C 71 174.200 174.822 -0.622 1 1 734 . 2 1 1 A 71 71 VAL CA C 71 61.200 60.754 0.446 1 1 735 . 2 1 1 A 71 71 VAL CB C 71 36.100 34.389 1.711 1 1 738 . 2 1 1 A 71 71 VAL N N 71 119.200 117.999 1.201 1 1 739 . 2 1 1 A 72 72 ALA H H 72 8.200 8.878 -0.678 1 1 740 . 2 1 1 A 72 72 ALA HA H 72 4.680 5.185 -0.505 1 1 744 . 2 1 1 A 72 72 ALA C C 72 176.500 176.661 -0.161 1 1 745 . 2 1 1 A 72 72 ALA CA C 72 50.200 51.185 -0.985 1 1 746 . 2 1 1 A 72 72 ALA CB C 72 21.000 20.743 0.257 1 1 747 . 2 1 1 A 72 72 ALA N N 72 127.900 132.180 -4.280 1 1 748 . 2 1 1 A 73 73 PHE H H 73 9.700 9.143 0.557 1 1 749 . 2 1 1 A 73 73 PHE HA H 73 5.270 5.298 -0.028 1 1 753 . 2 1 1 A 73 73 PHE C C 73 174.500 174.638 -0.138 1 1 754 . 2 1 1 A 73 73 PHE CA C 73 57.400 56.401 0.999 1 1 755 . 2 1 1 A 73 73 PHE CB C 73 42.800 43.624 -0.824 1 1 759 . 2 1 1 A 73 73 PHE N N 73 121.600 117.613 3.987 1 1 760 . 2 1 1 A 74 74 LEU H H 74 9.180 8.876 0.304 1 1 761 . 2 1 1 A 74 74 LEU HA H 74 4.670 5.039 -0.369 1 1 771 . 2 1 1 A 74 74 LEU C C 74 175.800 175.418 0.382 1 1 772 . 2 1 1 A 74 74 LEU CA C 74 53.600 54.202 -0.602 1 1 773 . 2 1 1 A 74 74 LEU CB C 74 45.400 46.608 -1.208 1 1 777 . 2 1 1 A 74 74 LEU N N 74 122.100 122.856 -0.756 1 1 778 . 2 1 1 A 75 75 GLY H H 75 8.460 8.470 -0.010 1 1 779 . 2 1 1 A 75 75 GLY HA2 H 75 3.960 4.281 -0.321 1 1 780 . 2 1 1 A 75 75 GLY HA3 H 75 4.380 4.297 0.083 1 1 781 . 2 1 1 A 75 75 GLY C C 75 171.100 172.100 -1.000 1 1 782 . 2 1 1 A 75 75 GLY CA C 75 44.900 45.349 -0.449 1 1 783 . 2 1 1 A 75 75 GLY N N 75 111.400 111.710 -0.310 1 1 784 . 2 1 1 A 76 76 THR H H 76 8.450 8.729 -0.279 1 1 785 . 2 1 1 A 76 76 THR HA H 76 4.230 4.293 -0.063 1 1 790 . 2 1 1 A 76 76 THR C C 76 173.500 174.505 -1.005 1 1 791 . 2 1 1 A 76 76 THR CA C 76 62.600 63.169 -0.569 1 1 792 . 2 1 1 A 76 76 THR CB C 76 69.800 69.296 0.504 1 1 794 . 2 1 1 A 76 76 THR N N 76 118.300 115.733 2.567 1 1 795 . 2 1 1 A 77 77 ALA H H 77 8.740 8.790 -0.050 1 1 796 . 2 1 1 A 77 77 ALA HA H 77 4.860 4.611 0.249 1 1 800 . 2 1 1 A 77 77 ALA C C 77 179.700 177.795 1.905 1 1 801 . 2 1 1 A 77 77 ALA CA C 77 51.700 51.791 -0.091 1 1 802 . 2 1 1 A 77 77 ALA CB C 77 19.600 19.513 0.087 1 1 803 . 2 1 1 A 77 77 ALA N N 77 130.800 128.383 2.417 1 1 804 . 2 1 1 A 78 78 ILE H H 78 9.000 8.716 0.284 1 1 805 . 2 1 1 A 78 78 ILE HA H 78 3.820 4.017 -0.197 1 1 815 . 2 1 1 A 78 78 ILE C C 78 173.900 174.573 -0.673 1 1 816 . 2 1 1 A 78 78 ILE CA C 78 65.500 63.664 1.836 1 1 817 . 2 1 1 A 78 78 ILE CB C 78 39.200 38.608 0.592 1 1 821 . 2 1 1 A 78 78 ILE N N 78 122.600 124.093 -1.493 1 1 822 . 2 1 1 A 79 79 ASP H H 79 7.360 7.858 -0.498 1 1 823 . 2 1 1 A 79 79 ASP HA H 79 4.450 4.897 -0.447 1 1 826 . 2 1 1 A 79 79 ASP C C 79 175.700 175.686 0.014 1 1 827 . 2 1 1 A 79 79 ASP CA C 79 53.900 53.370 0.530 1 1 828 . 2 1 1 A 79 79 ASP CB C 79 41.800 43.973 -2.173 1 1 829 . 2 1 1 A 79 79 ASP N N 79 113.600 120.201 -6.601 1 1 830 . 2 1 1 A 80 80 ALA H H 80 8.510 8.876 -0.366 1 1 831 . 2 1 1 A 80 80 ALA HA H 80 4.100 4.015 0.085 1 1 835 . 2 1 1 A 80 80 ALA C C 80 178.600 179.304 -0.704 1 1 836 . 2 1 1 A 80 80 ALA CA C 80 54.200 55.273 -1.073 1 1 837 . 2 1 1 A 80 80 ALA CB C 80 18.600 18.345 0.255 1 1 838 . 2 1 1 A 80 80 ALA N N 80 118.700 126.161 -7.461 1 1 839 . 2 1 1 A 81 81 GLY H H 81 8.440 8.378 0.062 1 1 840 . 2 1 1 A 81 81 GLY HA2 H 81 3.490 3.611 -0.121 1 1 841 . 2 1 1 A 81 81 GLY HA3 H 81 4.120 3.705 0.415 1 1 842 . 2 1 1 A 81 81 GLY C C 81 174.100 174.766 -0.666 1 1 843 . 2 1 1 A 81 81 GLY CA C 81 44.800 46.616 -1.816 1 1 844 . 2 1 1 A 81 81 GLY N N 81 104.400 105.308 -0.908 1 1 845 . 2 1 1 A 82 82 HIS H H 82 7.830 7.875 -0.045 1 1 846 . 2 1 1 A 82 82 HIS HA H 82 4.920 4.595 0.325 1 1 851 . 2 1 1 A 82 82 HIS C C 82 174.600 176.071 -1.471 1 1 852 . 2 1 1 A 82 82 HIS CA C 82 54.700 55.203 -0.503 1 1 853 . 2 1 1 A 82 82 HIS CB C 82 28.100 28.176 -0.076 1 1 856 . 2 1 1 A 82 82 HIS N N 82 120.400 120.232 0.168 1 1 857 . 2 1 1 A 83 83 THR H H 83 8.220 7.749 0.471 1 1 858 . 2 1 1 A 83 83 THR HA H 83 4.090 4.084 0.006 1 1 863 . 2 1 1 A 83 83 THR C C 83 174.300 176.037 -1.737 1 1 864 . 2 1 1 A 83 83 THR CA C 83 63.600 64.469 -0.869 1 1 865 . 2 1 1 A 83 83 THR CB C 83 68.500 68.601 -0.101 1 1 867 . 2 1 1 A 83 83 THR N N 83 109.800 112.936 -3.136 1 1 868 . 2 1 1 A 84 84 ASN H H 84 7.490 7.857 -0.367 1 1 869 . 2 1 1 A 84 84 ASN HA H 84 4.810 4.626 0.184 1 1 874 . 2 1 1 A 84 84 ASN C C 84 174.100 174.492 -0.392 1 1 875 . 2 1 1 A 84 84 ASN CA C 84 51.100 54.259 -3.159 1 1 876 . 2 1 1 A 84 84 ASN CB C 84 38.100 38.821 -0.721 1 1 877 . 2 1 1 A 84 84 ASN N N 84 115.800 118.764 -2.964 1 1 879 . 2 1 1 A 85 85 VAL H H 85 7.300 7.961 -0.661 1 1 880 . 2 1 1 A 85 85 VAL HA H 85 4.090 4.493 -0.403 1 1 888 . 2 1 1 A 85 85 VAL C C 85 173.700 174.778 -1.078 1 1 889 . 2 1 1 A 85 85 VAL CA C 85 61.600 60.329 1.271 1 1 890 . 2 1 1 A 85 85 VAL CB C 85 33.600 35.021 -1.421 1 1 893 . 2 1 1 A 85 85 VAL N N 85 120.200 118.688 1.512 1 1 894 . 2 1 1 A 86 86 LEU H H 86 9.850 8.904 0.946 1 1 895 . 2 1 1 A 86 86 LEU HA H 86 4.220 4.708 -0.488 1 1 905 . 2 1 1 A 86 86 LEU C C 86 176.800 178.266 -1.466 1 1 906 . 2 1 1 A 86 86 LEU CA C 86 55.000 54.368 0.632 1 1 907 . 2 1 1 A 86 86 LEU CB C 86 44.200 42.573 1.627 1 1 911 . 2 1 1 A 86 86 LEU N N 86 130.700 127.934 2.766 1 1 912 . 2 1 1 A 87 87 ALA H H 87 8.670 8.180 0.490 1 1 913 . 2 1 1 A 87 87 ALA HA H 87 4.110 4.589 -0.479 1 1 917 . 2 1 1 A 87 87 ALA C C 87 177.000 177.596 -0.596 1 1 918 . 2 1 1 A 87 87 ALA CA C 87 51.500 51.308 0.192 1 1 919 . 2 1 1 A 87 87 ALA CB C 87 20.000 18.810 1.190 1 1 920 . 2 1 1 A 87 87 ALA N N 87 123.600 126.149 -2.549 1 1 921 . 2 1 1 A 88 88 LEU H H 88 8.590 7.981 0.609 1 1 922 . 2 1 1 A 88 88 LEU HA H 88 4.780 4.401 0.379 1 1 932 . 2 1 1 A 88 88 LEU C C 88 179.400 176.008 3.392 1 1 933 . 2 1 1 A 88 88 LEU CA C 88 53.500 57.079 -3.579 1 1 934 . 2 1 1 A 88 88 LEU CB C 88 41.600 40.823 0.777 1 1 938 . 2 1 1 A 88 88 LEU N N 88 116.800 116.847 -0.047 1 1 939 . 2 1 1 A 89 89 GLN H H 89 9.050 8.244 0.806 1 1 940 . 2 1 1 A 89 89 GLN HA H 89 4.340 4.839 -0.499 1 1 945 . 2 1 1 A 89 89 GLN C C 89 177.200 175.559 1.641 1 1 946 . 2 1 1 A 89 89 GLN CA C 89 55.800 53.906 1.894 1 1 947 . 2 1 1 A 89 89 GLN CB C 89 29.900 32.076 -2.176 1 1 949 . 2 1 1 A 89 89 GLN N N 89 120.900 117.090 3.810 1 1 951 . 2 1 1 A 90 90 SER H H 90 8.660 8.740 -0.080 1 1 952 . 2 1 1 A 90 90 SER HA H 90 4.520 4.580 -0.060 1 1 955 . 2 1 1 A 90 90 SER C C 90 174.100 174.491 -0.391 1 1 956 . 2 1 1 A 90 90 SER CA C 90 58.400 58.471 -0.071 1 1 957 . 2 1 1 A 90 90 SER CB C 90 63.800 63.142 0.658 1 1 958 . 2 1 1 A 90 90 SER N N 90 118.600 116.628 1.972 1 1 959 . 2 1 1 A 91 91 SER H H 91 8.360 8.892 -0.532 1 1 960 . 2 1 1 A 91 91 SER HA H 91 4.640 3.994 0.646 1 1 963 . 2 1 1 A 91 91 SER C C 91 175.100 175.095 0.005 1 1 964 . 2 1 1 A 91 91 SER CA C 91 57.700 59.006 -1.306 1 1 965 . 2 1 1 A 91 91 SER CB C 91 64.900 61.979 2.921 1 1 966 . 2 1 1 A 91 91 SER N N 91 117.100 114.425 2.675 1 1 967 . 2 1 1 A 92 92 ALA H H 92 8.720 7.801 0.919 1 1 968 . 2 1 1 A 92 92 ALA HA H 92 4.230 3.985 0.245 1 1 972 . 2 1 1 A 92 92 ALA C C 92 178.400 177.762 0.638 1 1 973 . 2 1 1 A 92 92 ALA CA C 92 54.000 55.064 -1.064 1 1 974 . 2 1 1 A 92 92 ALA CB C 92 18.700 18.638 0.062 1 1 975 . 2 1 1 A 92 92 ALA N N 92 127.600 124.431 3.169 1 1 976 . 2 1 1 A 93 93 ALA H H 93 8.180 7.692 0.488 1 1 977 . 2 1 1 A 93 93 ALA HA H 93 4.340 4.596 -0.256 1 1 981 . 2 1 1 A 93 93 ALA C C 93 178.000 178.305 -0.305 1 1 982 . 2 1 1 A 93 93 ALA CA C 93 52.700 51.222 1.478 1 1 983 . 2 1 1 A 93 93 ALA CB C 93 19.100 20.252 -1.152 1 1 984 . 2 1 1 A 93 93 ALA N N 93 119.800 118.022 1.778 1 1 985 . 2 1 1 A 94 94 GLY H H 94 7.880 8.225 -0.345 1 1 986 . 2 1 1 A 94 94 GLY HA2 H 94 4.370 3.981 0.389 1 1 987 . 2 1 1 A 94 94 GLY HA3 H 94 3.780 3.984 -0.204 1 1 988 . 2 1 1 A 94 94 GLY C C 94 174.400 174.256 0.144 1 1 989 . 2 1 1 A 94 94 GLY CA C 94 45.200 45.709 -0.509 1 1 990 . 2 1 1 A 94 94 GLY N N 94 107.900 107.283 0.617 1 1 991 . 2 1 1 A 95 95 SER H H 95 8.510 7.907 0.603 1 1 992 . 2 1 1 A 95 95 SER HA H 95 5.060 4.506 0.554 1 1 995 . 2 1 1 A 95 95 SER C C 95 174.400 173.933 0.467 1 1 996 . 2 1 1 A 95 95 SER CA C 95 58.000 58.976 -0.976 1 1 997 . 2 1 1 A 95 95 SER CB C 95 65.100 63.885 1.215 1 1 998 . 2 1 1 A 95 95 SER N N 95 119.300 116.787 2.513 1 1 999 . 2 1 1 A 96 96 ALA H H 96 8.340 8.461 -0.121 1 1 1000 . 2 1 1 A 96 96 ALA HA H 96 3.830 4.288 -0.458 1 1 1004 . 2 1 1 A 96 96 ALA C C 96 176.800 178.039 -1.239 1 1 1005 . 2 1 1 A 96 96 ALA CA C 96 53.200 52.737 0.463 1 1 1006 . 2 1 1 A 96 96 ALA CB C 96 19.700 19.155 0.545 1 1 1007 . 2 1 1 A 96 96 ALA N N 96 126.000 125.821 0.179 1 1 1008 . 2 1 1 A 97 97 THR H H 97 7.150 8.657 -1.507 1 1 1009 . 2 1 1 A 97 97 THR HA H 97 4.760 4.811 -0.051 1 1 1014 . 2 1 1 A 97 97 THR C C 97 173.100 173.621 -0.521 1 1 1015 . 2 1 1 A 97 97 THR CA C 97 60.300 59.995 0.305 1 1 1016 . 2 1 1 A 97 97 THR CB C 97 71.600 71.239 0.361 1 1 1018 . 2 1 1 A 97 97 THR N N 97 109.600 112.158 -2.558 1 1 1019 . 2 1 1 A 98 98 ASN H H 98 8.920 8.637 0.283 1 1 1020 . 2 1 1 A 98 98 ASN HA H 98 4.030 4.341 -0.311 1 1 1025 . 2 1 1 A 98 98 ASN C C 98 173.600 173.600 0.000 1 1 1026 . 2 1 1 A 98 98 ASN CA C 98 53.800 54.279 -0.479 1 1 1027 . 2 1 1 A 98 98 ASN CB C 98 35.500 37.153 -1.653 1 1 1028 . 2 1 1 A 98 98 ASN N N 98 112.300 118.000 -5.700 1 1 1030 . 2 1 1 A 99 99 VAL H H 99 7.170 7.737 -0.567 1 1 1031 . 2 1 1 A 99 99 VAL HA H 99 4.920 4.880 0.040 1 1 1039 . 2 1 1 A 99 99 VAL C C 99 172.400 173.966 -1.566 1 1 1040 . 2 1 1 A 99 99 VAL CA C 99 60.100 59.844 0.256 1 1 1041 . 2 1 1 A 99 99 VAL CB C 99 34.800 35.525 -0.725 1 1 1044 . 2 1 1 A 99 99 VAL N N 99 112.000 117.439 -5.439 1 1 1045 . 2 1 1 A 100 100 GLY H H 100 8.480 8.780 -0.300 1 1 1046 . 2 1 1 A 100 100 GLY HA2 H 100 3.960 4.373 -0.413 1 1 1047 . 2 1 1 A 100 100 GLY HA3 H 100 4.530 4.412 0.118 1 1 1048 . 2 1 1 A 100 100 GLY C C 100 172.600 172.192 0.408 1 1 1049 . 2 1 1 A 100 100 GLY CA C 100 45.000 44.608 0.392 1 1 1050 . 2 1 1 A 100 100 GLY N N 100 112.100 113.796 -1.696 1 1 1051 . 2 1 1 A 101 101 VAL H H 101 8.030 8.291 -0.261 1 1 1052 . 2 1 1 A 101 101 VAL HA H 101 4.680 4.256 0.424 1 1 1060 . 2 1 1 A 101 101 VAL C C 101 174.500 174.843 -0.343 1 1 1061 . 2 1 1 A 101 101 VAL CA C 101 61.300 62.123 -0.823 1 1 1062 . 2 1 1 A 101 101 VAL CB C 101 34.900 31.906 2.994 1 1 1065 . 2 1 1 A 101 101 VAL N N 101 120.000 121.098 -1.098 1 1 1066 . 2 1 1 A 102 102 GLN H H 102 9.150 8.679 0.471 1 1 1067 . 2 1 1 A 102 102 GLN HA H 102 4.700 4.878 -0.178 1 1 1074 . 2 1 1 A 102 102 GLN C C 102 173.600 173.876 -0.276 1 1 1075 . 2 1 1 A 102 102 GLN CA C 102 54.100 54.207 -0.107 1 1 1076 . 2 1 1 A 102 102 GLN CB C 102 34.200 32.103 2.097 1 1 1078 . 2 1 1 A 102 102 GLN N N 102 124.500 124.813 -0.313 1 1 1080 . 2 1 1 A 103 103 ILE H H 103 9.560 8.732 0.828 1 1 1081 . 2 1 1 A 103 103 ILE HA H 103 4.440 4.598 -0.158 1 1 1091 . 2 1 1 A 103 103 ILE C C 103 174.000 175.121 -1.121 1 1 1092 . 2 1 1 A 103 103 ILE CA C 103 60.800 59.256 1.544 1 1 1093 . 2 1 1 A 103 103 ILE CB C 103 39.600 39.414 0.186 1 1 1097 . 2 1 1 A 103 103 ILE N N 103 123.600 126.930 -3.330 1 1 1098 . 2 1 1 A 104 104 LEU H H 104 9.380 9.004 0.376 1 1 1099 . 2 1 1 A 104 104 LEU HA H 104 5.320 5.228 0.092 1 1 1109 . 2 1 1 A 104 104 LEU C C 104 177.700 175.319 2.381 1 1 1110 . 2 1 1 A 104 104 LEU CA C 104 52.500 53.595 -1.095 1 1 1111 . 2 1 1 A 104 104 LEU CB C 104 43.900 45.796 -1.896 1 1 1115 . 2 1 1 A 104 104 LEU N N 104 125.000 126.711 -1.711 1 1 1116 . 2 1 1 A 105 105 ASP H H 105 8.200 8.414 -0.214 1 1 1117 . 2 1 1 A 105 105 ASP HA H 105 4.960 4.546 0.414 1 1 1120 . 2 1 1 A 105 105 ASP C C 105 179.000 177.285 1.715 1 1 1121 . 2 1 1 A 105 105 ASP CA C 105 52.000 52.839 -0.839 1 1 1122 . 2 1 1 A 105 105 ASP CB C 105 42.700 42.455 0.245 1 1 1123 . 2 1 1 A 105 105 ASP N N 105 117.900 125.485 -7.585 1 1 1124 . 2 1 1 A 106 106 ARG H H 106 8.680 8.646 0.034 1 1 1125 . 2 1 1 A 106 106 ARG HA H 106 4.040 3.937 0.103 1 1 1131 . 2 1 1 A 106 106 ARG C C 106 177.000 177.194 -0.194 1 1 1132 . 2 1 1 A 106 106 ARG CA C 106 58.300 58.672 -0.372 1 1 1133 . 2 1 1 A 106 106 ARG CB C 106 29.300 29.912 -0.612 1 1 1136 . 2 1 1 A 106 106 ARG N N 106 117.500 121.785 -4.285 1 1 1138 . 2 1 1 A 107 107 THR H H 107 8.180 7.823 0.357 1 1 1139 . 2 1 1 A 107 107 THR HA H 107 4.380 4.276 0.104 1 1 1144 . 2 1 1 A 107 107 THR C C 107 175.800 175.605 0.195 1 1 1145 . 2 1 1 A 107 107 THR CA C 107 62.100 62.926 -0.826 1 1 1146 . 2 1 1 A 107 107 THR CB C 107 70.200 70.168 0.032 1 1 1148 . 2 1 1 A 107 107 THR N N 107 111.000 109.499 1.501 1 1 1149 . 2 1 1 A 108 108 GLY H H 108 8.250 8.062 0.188 1 1 1150 . 2 1 1 A 108 108 GLY HA2 H 108 3.460 3.918 -0.458 1 1 1151 . 2 1 1 A 108 108 GLY HA3 H 108 4.310 3.924 0.386 1 1 1152 . 2 1 1 A 108 108 GLY C C 108 172.600 174.853 -2.253 1 1 1153 . 2 1 1 A 108 108 GLY CA C 108 45.000 46.501 -1.501 1 1 1154 . 2 1 1 A 108 108 GLY N N 108 109.900 111.867 -1.967 1 1 1155 . 2 1 1 A 109 109 ALA H H 109 7.380 7.980 -0.600 1 1 1156 . 2 1 1 A 109 109 ALA HA H 109 4.280 4.442 -0.162 1 1 1160 . 2 1 1 A 109 109 ALA C C 109 176.300 177.421 -1.121 1 1 1161 . 2 1 1 A 109 109 ALA CA C 109 51.500 52.009 -0.509 1 1 1162 . 2 1 1 A 109 109 ALA CB C 109 19.800 20.025 -0.225 1 1 1163 . 2 1 1 A 109 109 ALA N N 109 123.700 123.445 0.255 1 1 1164 . 2 1 1 A 110 110 ALA H H 110 8.240 8.305 -0.065 1 1 1165 . 2 1 1 A 110 110 ALA HA H 110 4.710 4.517 0.193 1 1 1169 . 2 1 1 A 110 110 ALA C C 110 178.500 177.285 1.215 1 1 1170 . 2 1 1 A 110 110 ALA CA C 110 51.500 52.153 -0.653 1 1 1171 . 2 1 1 A 110 110 ALA CB C 110 18.800 19.766 -0.966 1 1 1172 . 2 1 1 A 110 110 ALA N N 110 123.400 124.256 -0.856 1 1 1173 . 2 1 1 A 111 111 LEU H H 111 8.880 8.599 0.281 1 1 1174 . 2 1 1 A 111 111 LEU HA H 111 4.480 4.841 -0.361 1 1 1184 . 2 1 1 A 111 111 LEU C C 111 176.900 176.221 0.679 1 1 1185 . 2 1 1 A 111 111 LEU CA C 111 54.500 53.768 0.732 1 1 1186 . 2 1 1 A 111 111 LEU CB C 111 42.400 44.558 -2.158 1 1 1190 . 2 1 1 A 111 111 LEU N N 111 125.900 120.767 5.133 1 1 1191 . 2 1 1 A 112 112 THR H H 112 7.980 8.740 -0.760 1 1 1192 . 2 1 1 A 112 112 THR HA H 112 3.940 4.523 -0.583 1 1 1197 . 2 1 1 A 112 112 THR C C 112 174.700 174.543 0.157 1 1 1198 . 2 1 1 A 112 112 THR CA C 112 63.600 62.308 1.292 1 1 1199 . 2 1 1 A 112 112 THR CB C 112 69.100 69.676 -0.576 1 1 1201 . 2 1 1 A 112 112 THR N N 112 114.300 119.757 -5.457 1 1 1202 . 2 1 1 A 113 113 LEU H H 113 7.460 8.316 -0.856 1 1 1203 . 2 1 1 A 113 113 LEU HA H 113 4.860 4.891 -0.031 1 1 1213 . 2 1 1 A 113 113 LEU C C 113 177.000 176.132 0.868 1 1 1214 . 2 1 1 A 113 113 LEU CA C 113 54.700 54.237 0.463 1 1 1215 . 2 1 1 A 113 113 LEU CB C 113 42.100 40.200 1.900 1 1 1219 . 2 1 1 A 113 113 LEU N N 113 124.600 125.779 -1.179 1 1 1220 . 2 1 1 A 114 114 ASP H H 114 7.680 8.171 -0.491 1 1 1221 . 2 1 1 A 114 114 ASP HA H 114 4.640 4.855 -0.215 1 1 1224 . 2 1 1 A 114 114 ASP C C 114 178.100 177.206 0.894 1 1 1225 . 2 1 1 A 114 114 ASP CA C 114 53.600 53.403 0.197 1 1 1226 . 2 1 1 A 114 114 ASP CB C 114 41.400 43.022 -1.622 1 1 1227 . 2 1 1 A 114 114 ASP N N 114 116.100 123.614 -7.514 1 1 1228 . 2 1 1 A 115 115 GLY H H 115 8.730 7.886 0.844 1 1 1229 . 2 1 1 A 115 115 GLY HA2 H 115 3.920 3.977 -0.057 1 1 1230 . 2 1 1 A 115 115 GLY HA3 H 115 3.190 3.984 -0.794 1 1 1231 . 2 1 1 A 115 115 GLY C C 115 172.400 174.973 -2.573 1 1 1232 . 2 1 1 A 115 115 GLY CA C 115 46.500 45.580 0.920 1 1 1233 . 2 1 1 A 115 115 GLY N N 115 110.200 107.524 2.676 1 1 1234 . 2 1 1 A 116 116 ALA H H 116 7.930 7.963 -0.033 1 1 1235 . 2 1 1 A 116 116 ALA HA H 116 4.380 4.322 0.058 1 1 1239 . 2 1 1 A 116 116 ALA C C 116 176.100 177.716 -1.616 1 1 1240 . 2 1 1 A 116 116 ALA CA C 116 51.300 53.681 -2.381 1 1 1241 . 2 1 1 A 116 116 ALA CB C 116 20.700 19.632 1.068 1 1 1242 . 2 1 1 A 116 116 ALA N N 116 120.900 122.543 -1.643 1 1 1243 . 2 1 1 A 117 117 THR H H 117 7.720 7.686 0.034 1 1 1244 . 2 1 1 A 117 117 THR HA H 117 4.400 4.346 0.054 1 1 1249 . 2 1 1 A 117 117 THR C C 117 173.700 174.400 -0.700 1 1 1250 . 2 1 1 A 117 117 THR CA C 117 62.000 64.248 -2.248 1 1 1251 . 2 1 1 A 117 117 THR CB C 117 68.400 68.768 -0.368 1 1 1253 . 2 1 1 A 117 117 THR N N 117 118.200 114.350 3.850 1 1 1254 . 2 1 1 A 118 118 PHE H H 118 8.880 8.956 -0.076 1 1 1255 . 2 1 1 A 118 118 PHE HA H 118 4.280 4.772 -0.492 1 1 1256 . 2 1 1 A 118 118 PHE C C 118 176.400 175.660 0.740 1 1 1257 . 2 1 1 A 118 118 PHE CA C 118 59.000 56.635 2.365 1 1 1258 . 2 1 1 A 118 118 PHE CB C 118 40.300 40.457 -0.157 1 1 1259 . 2 1 1 A 118 118 PHE N N 118 126.400 126.455 -0.055 1 1 1260 . 2 1 1 A 119 119 SER H H 119 9.240 8.494 0.746 1 1 1261 . 2 1 1 A 119 119 SER HA H 119 4.570 4.772 -0.202 1 1 1264 . 2 1 1 A 119 119 SER C C 119 172.700 173.542 -0.842 1 1 1265 . 2 1 1 A 119 119 SER CA C 119 58.100 56.302 1.798 1 1 1266 . 2 1 1 A 119 119 SER CB C 119 66.400 65.027 1.373 1 1 1267 . 2 1 1 A 119 119 SER N N 119 116.900 113.055 3.845 1 1 1268 . 2 1 1 A 120 120 SER H H 120 9.030 8.616 0.414 1 1 1269 . 2 1 1 A 120 120 SER HA H 120 4.220 4.343 -0.123 1 1 1272 . 2 1 1 A 120 120 SER C C 120 175.800 174.553 1.247 1 1 1273 . 2 1 1 A 120 120 SER CA C 120 59.500 58.580 0.920 1 1 1274 . 2 1 1 A 120 120 SER CB C 120 62.800 63.679 -0.879 1 1 1275 . 2 1 1 A 120 120 SER N N 120 113.500 116.312 -2.812 1 1 1276 . 2 1 1 A 121 121 GLU H H 121 8.890 8.560 0.330 1 1 1277 . 2 1 1 A 121 121 GLU HA H 121 4.440 4.748 -0.308 1 1 1282 . 2 1 1 A 121 121 GLU C C 121 177.300 175.397 1.903 1 1 1283 . 2 1 1 A 121 121 GLU CA C 121 57.400 55.852 1.548 1 1 1284 . 2 1 1 A 121 121 GLU CB C 121 30.600 31.446 -0.846 1 1 1286 . 2 1 1 A 121 121 GLU N N 121 123.700 124.390 -0.690 1 1 1287 . 2 1 1 A 122 122 THR H H 122 9.370 8.590 0.780 1 1 1288 . 2 1 1 A 122 122 THR HA H 122 4.530 4.750 -0.220 1 1 1293 . 2 1 1 A 122 122 THR C C 122 173.900 173.822 0.078 1 1 1294 . 2 1 1 A 122 122 THR CA C 122 62.500 62.015 0.485 1 1 1295 . 2 1 1 A 122 122 THR CB C 122 72.000 70.256 1.744 1 1 1297 . 2 1 1 A 122 122 THR N N 122 122.600 117.359 5.241 1 1 1298 . 2 1 1 A 123 123 THR H H 123 8.930 8.882 0.048 1 1 1299 . 2 1 1 A 123 123 THR HA H 123 4.400 4.444 -0.044 1 1 1304 . 2 1 1 A 123 123 THR C C 123 173.900 174.672 -0.772 1 1 1305 . 2 1 1 A 123 123 THR CA C 123 63.500 63.710 -0.210 1 1 1306 . 2 1 1 A 123 123 THR CB C 123 68.700 68.801 -0.101 1 1 1308 . 2 1 1 A 123 123 THR N N 123 124.900 122.160 2.740 1 1 1309 . 2 1 1 A 124 124 LEU H H 124 8.360 8.862 -0.502 1 1 1310 . 2 1 1 A 124 124 LEU HA H 124 4.240 4.368 -0.128 1 1 1320 . 2 1 1 A 124 124 LEU C C 124 176.400 176.341 0.059 1 1 1321 . 2 1 1 A 124 124 LEU CA C 124 54.300 55.035 -0.735 1 1 1322 . 2 1 1 A 124 124 LEU CB C 124 43.300 42.561 0.739 1 1 1326 . 2 1 1 A 124 124 LEU N N 124 127.700 128.307 -0.607 1 1 1327 . 2 1 1 A 125 125 ASN H H 125 8.950 8.941 0.009 1 1 1328 . 2 1 1 A 125 125 ASN HA H 125 4.930 5.352 -0.422 1 1 1333 . 2 1 1 A 125 125 ASN C C 125 175.800 174.487 1.313 1 1 1334 . 2 1 1 A 125 125 ASN CA C 125 51.100 51.188 -0.088 1 1 1335 . 2 1 1 A 125 125 ASN CB C 125 41.800 42.392 -0.592 1 1 1336 . 2 1 1 A 125 125 ASN N N 125 117.400 115.971 1.429 1 1 1338 . 2 1 1 A 126 126 ASN H H 126 8.890 8.829 0.061 1 1 1339 . 2 1 1 A 126 126 ASN HA H 126 4.640 4.652 -0.012 1 1 1344 . 2 1 1 A 126 126 ASN C C 126 177.400 175.980 1.420 1 1 1345 . 2 1 1 A 126 126 ASN CA C 126 54.500 55.156 -0.656 1 1 1346 . 2 1 1 A 126 126 ASN CB C 126 38.200 38.170 0.030 1 1 1347 . 2 1 1 A 126 126 ASN N N 126 120.300 119.727 0.573 1 1 1349 . 2 1 1 A 127 127 GLY H H 127 9.090 8.658 0.432 1 1 1350 . 2 1 1 A 127 127 GLY HA2 H 127 3.650 4.043 -0.393 1 1 1351 . 2 1 1 A 127 127 GLY HA3 H 127 4.400 4.044 0.356 1 1 1352 . 2 1 1 A 127 127 GLY CA C 127 45.600 44.289 1.311 1 1 1353 . 2 1 1 A 127 127 GLY N N 127 112.300 109.253 3.047 1 1 1354 . 2 1 1 A 128 128 THR H H 128 8.870 8.325 0.545 1 1 1355 . 2 1 1 A 128 128 THR HA H 128 5.270 5.120 0.150 1 1 1360 . 2 1 1 A 128 128 THR C C 128 175.700 173.513 2.187 1 1 1361 . 2 1 1 A 128 128 THR CA C 128 63.500 61.531 1.969 1 1 1362 . 2 1 1 A 128 128 THR CB C 128 69.600 71.118 -1.518 1 1 1364 . 2 1 1 A 128 128 THR N N 128 123.700 116.736 6.964 1 1 1365 . 2 1 1 A 129 129 ASN H H 129 10.060 9.059 1.001 1 1 1366 . 2 1 1 A 129 129 ASN HA H 129 5.070 5.426 -0.356 1 1 1371 . 2 1 1 A 129 129 ASN C C 129 172.700 174.125 -1.425 1 1 1372 . 2 1 1 A 129 129 ASN CA C 129 52.700 51.689 1.011 1 1 1373 . 2 1 1 A 129 129 ASN CB C 129 44.400 43.397 1.003 1 1 1374 . 2 1 1 A 129 129 ASN N N 129 125.700 122.366 3.334 1 1 1376 . 2 1 1 A 130 130 THR H H 130 9.030 8.770 0.260 1 1 1377 . 2 1 1 A 130 130 THR HA H 130 4.790 5.007 -0.217 1 1 1382 . 2 1 1 A 130 130 THR C C 130 172.900 172.740 0.160 1 1 1383 . 2 1 1 A 130 130 THR CA C 130 61.800 61.189 0.611 1 1 1384 . 2 1 1 A 130 130 THR CB C 130 70.100 72.217 -2.117 1 1 1386 . 2 1 1 A 130 130 THR N N 130 117.800 115.083 2.717 1 1 1387 . 2 1 1 A 131 131 ILE H H 131 9.050 8.432 0.618 1 1 1388 . 2 1 1 A 131 131 ILE HA H 131 4.480 4.485 -0.005 1 1 1398 . 2 1 1 A 131 131 ILE CA C 131 58.300 58.016 0.284 1 1 1399 . 2 1 1 A 131 131 ILE CB C 131 39.600 38.211 1.389 1 1 1403 . 2 1 1 A 131 131 ILE N N 131 128.200 126.536 1.664 1 1 1404 . 2 1 1 A 132 132 PRO HA H 132 4.940 4.708 0.232 1 1 1409 . 2 1 1 A 132 132 PRO C C 132 175.200 176.221 -1.021 1 1 1410 . 2 1 1 A 132 132 PRO CA C 132 62.200 62.070 0.130 1 1 1411 . 2 1 1 A 132 132 PRO CB C 132 32.900 29.035 3.865 1 1 1414 . 2 1 1 A 133 133 PHE H H 133 8.460 8.045 0.415 1 1 1415 . 2 1 1 A 133 133 PHE HA H 133 4.530 4.744 -0.214 1 1 1418 . 2 1 1 A 133 133 PHE C C 133 175.600 176.489 -0.889 1 1 1419 . 2 1 1 A 133 133 PHE CA C 133 57.000 57.608 -0.608 1 1 1420 . 2 1 1 A 133 133 PHE CB C 133 45.000 39.281 5.719 1 1 1424 . 2 1 1 A 133 133 PHE N N 133 117.000 123.560 -6.560 1 1 1425 . 2 1 1 A 134 134 GLN H H 134 8.830 9.315 -0.485 1 1 1426 . 2 1 1 A 134 134 GLN HA H 134 5.490 5.409 0.081 1 1 1431 . 2 1 1 A 134 134 GLN C C 134 174.500 174.924 -0.424 1 1 1432 . 2 1 1 A 134 134 GLN CA C 134 54.200 54.319 -0.119 1 1 1433 . 2 1 1 A 134 134 GLN CB C 134 35.000 31.786 3.214 1 1 1435 . 2 1 1 A 134 134 GLN N N 134 117.300 120.151 -2.851 1 1 1437 . 2 1 1 A 135 135 ALA H H 135 9.280 9.531 -0.251 1 1 1438 . 2 1 1 A 135 135 ALA HA H 135 5.620 5.399 0.221 1 1 1442 . 2 1 1 A 135 135 ALA C C 135 174.900 176.358 -1.458 1 1 1443 . 2 1 1 A 135 135 ALA CA C 135 50.500 50.358 0.142 1 1 1444 . 2 1 1 A 135 135 ALA CB C 135 25.000 21.536 3.464 1 1 1445 . 2 1 1 A 135 135 ALA N N 135 121.800 125.263 -3.463 1 1 1446 . 2 1 1 A 136 136 ARG H H 136 8.380 8.580 -0.200 1 1 1447 . 2 1 1 A 136 136 ARG HA H 136 4.520 4.877 -0.357 1 1 1453 . 2 1 1 A 136 136 ARG C C 136 173.600 174.478 -0.878 1 1 1454 . 2 1 1 A 136 136 ARG CA C 136 53.900 54.360 -0.460 1 1 1455 . 2 1 1 A 136 136 ARG CB C 136 33.400 33.790 -0.390 1 1 1457 . 2 1 1 A 136 136 ARG N N 136 113.300 118.233 -4.933 1 1 1459 . 2 1 1 A 137 137 TYR H H 137 8.550 8.965 -0.415 1 1 1460 . 2 1 1 A 137 137 TYR HA H 137 5.360 4.986 0.374 1 1 1463 . 2 1 1 A 137 137 TYR C C 137 175.500 175.374 0.126 1 1 1464 . 2 1 1 A 137 137 TYR CA C 137 58.300 59.131 -0.831 1 1 1465 . 2 1 1 A 137 137 TYR CB C 137 39.900 39.313 0.587 1 1 1468 . 2 1 1 A 137 137 TYR N N 137 118.500 121.188 -2.688 1 1 1469 . 2 1 1 A 138 138 PHE H H 138 8.870 9.418 -0.548 1 1 1470 . 2 1 1 A 138 138 PHE HA H 138 4.920 5.238 -0.318 1 1 1474 . 2 1 1 A 138 138 PHE C C 138 173.600 174.073 -0.473 1 1 1475 . 2 1 1 A 138 138 PHE CA C 138 56.400 55.908 0.492 1 1 1476 . 2 1 1 A 138 138 PHE CB C 138 44.100 42.330 1.770 1 1 1480 . 2 1 1 A 138 138 PHE N N 138 122.300 123.449 -1.149 1 1 1481 . 2 1 1 A 139 139 ALA H H 139 8.730 8.784 -0.054 1 1 1482 . 2 1 1 A 139 139 ALA HA H 139 5.040 4.641 0.399 1 1 1486 . 2 1 1 A 139 139 ALA C C 139 176.200 178.592 -2.392 1 1 1487 . 2 1 1 A 139 139 ALA CA C 139 51.000 51.784 -0.784 1 1 1488 . 2 1 1 A 139 139 ALA CB C 139 19.700 19.420 0.280 1 1 1489 . 2 1 1 A 139 139 ALA N N 139 131.200 130.388 0.812 1 1 1490 . 2 1 1 A 140 140 THR H H 140 8.230 9.227 -0.997 1 1 1491 . 2 1 1 A 140 140 THR HA H 140 4.260 4.719 -0.459 1 1 1496 . 2 1 1 A 140 140 THR C C 140 173.800 174.147 -0.347 1 1 1497 . 2 1 1 A 140 140 THR CA C 140 60.800 61.118 -0.318 1 1 1498 . 2 1 1 A 140 140 THR CB C 140 67.100 69.502 -2.402 1 1 1500 . 2 1 1 A 140 140 THR N N 140 111.900 111.812 0.088 1 1 1501 . 2 1 1 A 141 141 GLY H H 141 7.450 7.390 0.060 1 1 1502 . 2 1 1 A 141 141 GLY HA2 H 141 3.620 4.065 -0.445 1 1 1503 . 2 1 1 A 141 141 GLY HA3 H 141 3.710 4.074 -0.364 1 1 1504 . 2 1 1 A 141 141 GLY C C 141 169.500 171.872 -2.372 1 1 1505 . 2 1 1 A 141 141 GLY CA C 141 44.300 46.035 -1.735 1 1 1506 . 2 1 1 A 141 141 GLY N N 141 110.300 109.463 0.837 1 1 1507 . 2 1 1 A 142 142 ALA H H 142 8.280 8.192 0.088 1 1 1508 . 2 1 1 A 142 142 ALA HA H 142 4.260 4.229 0.031 1 1 1512 . 2 1 1 A 142 142 ALA C C 142 177.200 176.669 0.531 1 1 1513 . 2 1 1 A 142 142 ALA CA C 142 52.100 52.176 -0.076 1 1 1514 . 2 1 1 A 142 142 ALA CB C 142 17.200 18.952 -1.752 1 1 1515 . 2 1 1 A 142 142 ALA N N 142 121.800 124.512 -2.712 1 1 1516 . 2 1 1 A 143 143 ALA H H 143 8.520 8.075 0.445 1 1 1517 . 2 1 1 A 143 143 ALA HA H 143 4.670 4.744 -0.074 1 1 1521 . 2 1 1 A 143 143 ALA C C 143 178.100 177.540 0.560 1 1 1522 . 2 1 1 A 143 143 ALA CA C 143 52.500 51.740 0.760 1 1 1523 . 2 1 1 A 143 143 ALA CB C 143 21.200 19.764 1.436 1 1 1524 . 2 1 1 A 143 143 ALA N N 143 130.000 125.761 4.239 1 1 1525 . 2 1 1 A 144 144 THR H H 144 7.590 8.254 -0.664 1 1 1526 . 2 1 1 A 144 144 THR HA H 144 4.710 4.885 -0.175 1 1 1531 . 2 1 1 A 144 144 THR CA C 144 58.200 59.902 -1.702 1 1 1532 . 2 1 1 A 144 144 THR CB C 144 68.100 69.834 -1.734 1 1 1534 . 2 1 1 A 144 144 THR N N 144 110.000 115.276 -5.276 1 1 1535 . 2 1 1 A 145 145 PRO HA H 145 4.020 4.647 -0.627 1 1 1542 . 2 1 1 A 145 145 PRO C C 145 176.700 176.079 0.621 1 1 1543 . 2 1 1 A 145 145 PRO CA C 145 62.600 62.634 -0.034 1 1 1544 . 2 1 1 A 145 145 PRO CB C 145 33.000 33.284 -0.284 1 1 1547 . 2 1 1 A 146 146 GLY H H 146 8.850 8.277 0.573 1 1 1548 . 2 1 1 A 146 146 GLY HA2 H 146 3.790 4.190 -0.400 1 1 1549 . 2 1 1 A 146 146 GLY HA3 H 146 4.360 4.196 0.164 1 1 1550 . 2 1 1 A 146 146 GLY C C 146 172.500 171.948 0.552 1 1 1551 . 2 1 1 A 146 146 GLY CA C 146 44.200 45.928 -1.728 1 1 1552 . 2 1 1 A 146 146 GLY N N 146 107.700 109.501 -1.801 1 1 1553 . 2 1 1 A 147 147 ALA H H 147 8.360 8.417 -0.057 1 1 1554 . 2 1 1 A 147 147 ALA HA H 147 4.160 5.076 -0.916 1 1 1558 . 2 1 1 A 147 147 ALA C C 147 177.900 175.419 2.481 1 1 1559 . 2 1 1 A 147 147 ALA CA C 147 54.200 51.183 3.017 1 1 1560 . 2 1 1 A 147 147 ALA CB C 147 19.400 23.689 -4.289 1 1 1561 . 2 1 1 A 147 147 ALA N N 147 122.500 124.317 -1.817 1 1 1562 . 2 1 1 A 148 148 ALA H H 148 8.660 8.320 0.340 1 1 1563 . 2 1 1 A 148 148 ALA HA H 148 4.940 4.914 0.026 1 1 1567 . 2 1 1 A 148 148 ALA C C 148 173.800 176.205 -2.405 1 1 1568 . 2 1 1 A 148 148 ALA CA C 148 51.200 51.319 -0.119 1 1 1569 . 2 1 1 A 148 148 ALA CB C 148 18.300 19.781 -1.481 1 1 1570 . 2 1 1 A 148 148 ALA N N 148 129.300 121.681 7.619 1 1 1571 . 2 1 1 A 149 149 ASN H H 149 8.820 9.093 -0.273 1 1 1572 . 2 1 1 A 149 149 ASN HA H 149 5.640 5.890 -0.250 1 1 1577 . 2 1 1 A 149 149 ASN C C 149 174.400 173.934 0.466 1 1 1578 . 2 1 1 A 149 149 ASN CA C 149 51.300 51.941 -0.641 1 1 1579 . 2 1 1 A 149 149 ASN CB C 149 40.400 42.659 -2.259 1 1 1580 . 2 1 1 A 149 149 ASN N N 149 121.200 121.981 -0.781 1 1 1582 . 2 1 1 A 150 150 ALA H H 150 9.100 9.281 -0.181 1 1 1583 . 2 1 1 A 150 150 ALA HA H 150 4.890 5.123 -0.233 1 1 1587 . 2 1 1 A 150 150 ALA C C 150 174.600 175.139 -0.539 1 1 1588 . 2 1 1 A 150 150 ALA CA C 150 52.200 51.264 0.936 1 1 1589 . 2 1 1 A 150 150 ALA CB C 150 25.100 24.158 0.942 1 1 1590 . 2 1 1 A 150 150 ALA N N 150 122.600 122.499 0.101 1 1 1591 . 2 1 1 A 151 151 ASP H H 151 9.010 8.873 0.137 1 1 1592 . 2 1 1 A 151 151 ASP HA H 151 5.870 5.484 0.386 1 1 1595 . 2 1 1 A 151 151 ASP C C 151 174.100 174.602 -0.502 1 1 1596 . 2 1 1 A 151 151 ASP CA C 151 53.400 52.729 0.671 1 1 1597 . 2 1 1 A 151 151 ASP CB C 151 45.300 42.161 3.139 1 1 1598 . 2 1 1 A 151 151 ASP N N 151 120.000 118.004 1.996 1 1 1599 . 2 1 1 A 152 152 ALA H H 152 8.870 8.729 0.141 1 1 1600 . 2 1 1 A 152 152 ALA HA H 152 5.160 4.785 0.375 1 1 1604 . 2 1 1 A 152 152 ALA C C 152 176.400 177.335 -0.935 1 1 1605 . 2 1 1 A 152 152 ALA CA C 152 51.200 52.151 -0.951 1 1 1606 . 2 1 1 A 152 152 ALA CB C 152 23.400 20.442 2.958 1 1 1607 . 2 1 1 A 152 152 ALA N N 152 120.700 128.034 -7.334 1 1 1608 . 2 1 1 A 153 153 THR H H 153 8.830 8.438 0.392 1 1 1609 . 2 1 1 A 153 153 THR HA H 153 5.350 5.184 0.166 1 1 1614 . 2 1 1 A 153 153 THR C C 153 173.900 174.416 -0.516 1 1 1615 . 2 1 1 A 153 153 THR CA C 153 60.100 60.004 0.096 1 1 1616 . 2 1 1 A 153 153 THR CB C 153 71.900 71.344 0.556 1 1 1618 . 2 1 1 A 153 153 THR N N 153 111.300 110.249 1.051 1 1 1619 . 2 1 1 A 154 154 PHE H H 154 8.460 9.002 -0.542 1 1 1620 . 2 1 1 A 154 154 PHE HA H 154 5.760 5.460 0.300 1 1 1621 . 2 1 1 A 154 154 PHE C C 154 174.500 173.384 1.116 1 1 1622 . 2 1 1 A 154 154 PHE CA C 154 55.600 54.691 0.909 1 1 1623 . 2 1 1 A 154 154 PHE CB C 154 42.300 41.805 0.495 1 1 1625 . 2 1 1 A 154 154 PHE N N 154 114.500 117.622 -3.122 1 1 1626 . 2 1 1 A 155 155 LYS H H 155 8.780 8.890 -0.110 1 1 1627 . 2 1 1 A 155 155 LYS HA H 155 4.810 4.768 0.042 1 1 1632 . 2 1 1 A 155 155 LYS C C 155 174.800 175.512 -0.712 1 1 1633 . 2 1 1 A 155 155 LYS CA C 155 54.600 54.426 0.174 1 1 1634 . 2 1 1 A 155 155 LYS CB C 155 36.800 35.597 1.203 1 1 1638 . 2 1 1 A 155 155 LYS N N 155 120.700 119.040 1.660 1 1 1639 . 2 1 1 A 156 156 VAL H H 156 8.690 8.580 0.110 1 1 1640 . 2 1 1 A 156 156 VAL HA H 156 4.840 5.086 -0.246 1 1 1648 . 2 1 1 A 156 156 VAL C C 156 173.200 174.504 -1.304 1 1 1649 . 2 1 1 A 156 156 VAL CA C 156 60.900 60.708 0.192 1 1 1650 . 2 1 1 A 156 156 VAL CB C 156 34.100 34.387 -0.287 1 1 1653 . 2 1 1 A 156 156 VAL N N 156 120.300 120.271 0.029 1 1 1654 . 2 1 1 A 157 157 GLN H H 157 9.040 8.958 0.082 1 1 1655 . 2 1 1 A 157 157 GLN HA H 157 5.130 5.029 0.101 1 1 1662 . 2 1 1 A 157 157 GLN C C 157 174.300 174.645 -0.345 1 1 1663 . 2 1 1 A 157 157 GLN CA C 157 53.500 54.143 -0.643 1 1 1664 . 2 1 1 A 157 157 GLN CB C 157 34.500 29.773 4.727 1 1 1666 . 2 1 1 A 157 157 GLN N N 157 126.200 127.613 -1.413 1 1 1668 . 2 1 1 A 158 158 TYR H H 158 9.130 8.485 0.645 1 1 1669 . 2 1 1 A 158 158 TYR HA H 158 5.310 4.925 0.385 1 1 1672 . 2 1 1 A 158 158 TYR C C 158 175.800 175.814 -0.014 1 1 1673 . 2 1 1 A 158 158 TYR CA C 158 56.800 59.065 -2.265 1 1 1674 . 2 1 1 A 158 158 TYR CB C 158 40.600 39.599 1.001 1 1 1677 . 2 1 1 A 158 158 TYR N N 158 126.400 126.196 0.204 1 1 1678 . 2 1 1 A 159 159 GLN H H 159 8.580 8.401 0.179 1 1 1679 . 2 1 1 A 159 159 GLN HA H 159 4.890 5.026 -0.136 1 1 1686 . 2 1 1 A 159 159 GLN C C 159 175.800 174.901 0.899 1 1 1687 . 2 1 1 A 159 159 GLN CA C 159 54.800 54.543 0.257 1 1 1688 . 2 1 1 A 159 159 GLN CB C 159 32.500 32.047 0.453 1 1 1690 . 2 1 1 A 159 159 GLN N N 159 119.700 118.197 1.503 1 1 1692 . 2 1 1 A 160 160 GLY H H 160 8.740 8.475 0.265 1 1 1693 . 2 1 1 A 160 160 GLY HA2 H 160 4.120 4.034 0.086 1 1 1694 . 2 1 1 A 160 160 GLY HA3 H 160 4.180 4.043 0.137 1 1 1695 . 2 1 1 A 160 160 GLY C C 160 174.800 176.099 -1.299 1 1 1696 . 2 1 1 A 160 160 GLY CA C 160 45.400 45.394 0.006 1 1 1697 . 2 1 1 A 160 160 GLY N N 160 109.800 109.190 0.610 1 1 1698 . 2 1 1 A 161 161 GLY H H 161 8.560 8.200 0.360 1 1 1699 . 2 1 1 A 161 161 GLY C C 161 175.300 176.057 -0.757 1 1 1700 . 2 1 1 A 161 161 GLY CA C 161 45.100 47.225 -2.125 1 1 1701 . 2 1 1 A 161 161 GLY N N 161 109.200 109.132 0.068 1 1 1702 . 2 1 1 A 162 162 GLY H H 162 8.480 8.092 0.388 1 1 1703 . 2 1 1 A 162 162 GLY HA2 H 162 4.040 3.914 0.126 1 1 1704 . 2 1 1 A 162 162 GLY HA3 H 162 3.910 3.917 -0.007 1 1 1705 . 2 1 1 A 162 162 GLY C C 162 175.400 175.024 0.376 1 1 1706 . 2 1 1 A 162 162 GLY CA C 162 45.800 45.741 0.059 1 1 1707 . 2 1 1 A 162 162 GLY N N 162 108.700 108.361 0.339 1 1 1708 . 2 1 1 A 163 163 GLY H H 163 8.500 7.874 0.626 1 1 1709 . 2 1 1 A 163 163 GLY HA2 H 163 3.960 3.916 0.044 1 1 1710 . 2 1 1 A 163 163 GLY HA3 H 163 3.980 3.918 0.062 1 1 1711 . 2 1 1 A 163 163 GLY C C 163 175.400 175.869 -0.469 1 1 1712 . 2 1 1 A 163 163 GLY CA C 163 45.700 46.753 -1.053 1 1 1713 . 2 1 1 A 163 163 GLY N N 163 109.000 107.744 1.256 1 1 1714 . 2 1 1 A 164 164 GLY H H 164 8.290 8.190 0.100 1 1 1715 . 2 1 1 A 164 164 GLY HA2 H 164 3.890 3.738 0.152 1 1 1716 . 2 1 1 A 164 164 GLY HA3 H 164 3.980 3.740 0.240 1 1 1717 . 2 1 1 A 164 164 GLY C C 164 175.100 174.757 0.343 1 1 1718 . 2 1 1 A 164 164 GLY CA C 164 45.700 47.299 -1.599 1 1 1719 . 2 1 1 A 164 164 GLY N N 164 109.100 109.132 -0.032 1 1 1720 . 2 1 1 A 165 165 GLY H H 165 8.210 7.805 0.405 1 1 1721 . 2 1 1 A 165 165 GLY HA2 H 165 3.950 4.127 -0.177 1 1 1722 . 2 1 1 A 165 165 GLY HA3 H 165 3.920 4.146 -0.226 1 1 1723 . 2 1 1 A 165 165 GLY C C 165 173.900 172.103 1.797 1 1 1724 . 2 1 1 A 165 165 GLY CA C 165 45.200 45.448 -0.248 1 1 1725 . 2 1 1 A 165 165 GLY N N 165 108.500 105.591 2.909 1 1 1726 . 2 1 1 A 166 166 ALA H H 166 8.110 8.526 -0.416 1 1 1727 . 2 1 1 A 166 166 ALA HA H 166 4.370 5.071 -0.701 1 1 1731 . 2 1 1 A 166 166 ALA C C 166 177.100 175.582 1.518 1 1 1732 . 2 1 1 A 166 166 ALA CA C 166 52.100 51.617 0.483 1 1 1733 . 2 1 1 A 166 166 ALA CB C 166 19.800 21.890 -2.090 1 1 1734 . 2 1 1 A 166 166 ALA N N 166 123.800 125.980 -2.180 1 1 1735 . 2 1 1 A 167 167 ALA H H 167 8.350 8.655 -0.305 1 1 1736 . 2 1 1 A 167 167 ALA HA H 167 4.840 4.843 -0.003 1 1 1740 . 2 1 1 A 167 167 ALA C C 167 177.800 175.255 2.545 1 1 1741 . 2 1 1 A 167 167 ALA CA C 167 51.900 51.367 0.533 1 1 1742 . 2 1 1 A 167 167 ALA CB C 167 20.000 23.798 -3.798 1 1 1743 . 2 1 1 A 167 167 ALA N N 167 123.800 122.495 1.305 1 1 1744 . 2 1 1 A 168 168 THR H H 168 8.580 9.022 -0.442 1 1 1745 . 2 1 1 A 168 168 THR HA H 168 4.600 4.950 -0.350 1 1 1750 . 2 1 1 A 168 168 THR C C 168 173.300 173.695 -0.395 1 1 1751 . 2 1 1 A 168 168 THR CA C 168 61.900 61.929 -0.029 1 1 1752 . 2 1 1 A 168 168 THR CB C 168 71.300 70.970 0.330 1 1 1754 . 2 1 1 A 168 168 THR N N 168 117.900 114.782 3.118 1 1 1755 . 2 1 1 A 169 169 THR H H 169 8.710 8.801 -0.091 1 1 1756 . 2 1 1 A 169 169 THR HA H 169 5.300 5.012 0.288 1 1 1761 . 2 1 1 A 169 169 THR C C 169 174.300 174.432 -0.132 1 1 1762 . 2 1 1 A 169 169 THR CA C 169 61.700 62.737 -1.037 1 1 1763 . 2 1 1 A 169 169 THR CB C 169 70.000 69.667 0.333 1 1 1765 . 2 1 1 A 169 169 THR N N 169 122.400 122.782 -0.382 1 1 1766 . 2 1 1 A 170 170 VAL H H 170 9.280 9.075 0.205 1 1 1767 . 2 1 1 A 170 170 VAL HA H 170 4.770 4.906 -0.136 1 1 1775 . 2 1 1 A 170 170 VAL C C 170 175.300 174.807 0.493 1 1 1776 . 2 1 1 A 170 170 VAL CA C 170 59.000 58.951 0.049 1 1 1777 . 2 1 1 A 170 170 VAL CB C 170 35.500 36.182 -0.682 1 1 1780 . 2 1 1 A 170 170 VAL N N 170 120.400 119.556 0.844 1 1 1781 . 2 1 1 A 171 171 ASN H H 171 8.770 8.726 0.044 1 1 1782 . 2 1 1 A 171 171 ASN HA H 171 4.470 4.624 -0.154 1 1 1785 . 2 1 1 A 171 171 ASN C C 171 174.900 175.183 -0.283 1 1 1786 . 2 1 1 A 171 171 ASN CA C 171 54.700 53.521 1.179 1 1 1787 . 2 1 1 A 171 171 ASN CB C 171 38.200 39.865 -1.665 1 1 1788 . 2 1 1 A 171 171 ASN N N 171 121.100 119.812 1.288 1 1 1790 . 2 1 1 A 172 172 GLY H H 172 8.390 7.679 0.711 1 1 1791 . 2 1 1 A 172 172 GLY HA2 H 172 2.980 2.833 0.147 1 1 1792 . 2 1 1 A 172 172 GLY HA3 H 172 3.970 3.833 0.137 1 1 1793 . 2 1 1 A 172 172 GLY C C 172 171.500 173.541 -2.041 1 1 1794 . 2 1 1 A 172 172 GLY CA C 172 46.000 44.939 1.061 1 1 1795 . 2 1 1 A 172 172 GLY N N 172 113.000 109.274 3.726 1 1 1796 . 2 1 1 A 173 173 GLY H H 173 5.960 6.563 -0.603 1 1 1797 . 2 1 1 A 173 173 GLY HA2 H 173 3.790 3.954 -0.164 1 1 1798 . 2 1 1 A 173 173 GLY HA3 H 173 4.110 4.067 0.043 1 1 1799 . 2 1 1 A 173 173 GLY C C 173 172.000 171.645 0.355 1 1 1800 . 2 1 1 A 173 173 GLY CA C 173 46.400 45.643 0.757 1 1 1801 . 2 1 1 A 173 173 GLY N N 173 106.500 104.246 2.254 1 1 1802 . 2 1 1 A 174 174 THR H H 174 8.600 8.707 -0.107 1 1 1803 . 2 1 1 A 174 174 THR HA H 174 4.890 5.017 -0.127 1 1 1808 . 2 1 1 A 174 174 THR C C 174 172.300 173.349 -1.049 1 1 1809 . 2 1 1 A 174 174 THR CA C 174 62.000 61.122 0.878 1 1 1810 . 2 1 1 A 174 174 THR CB C 174 71.400 70.493 0.907 1 1 1812 . 2 1 1 A 174 174 THR N N 174 118.800 115.865 2.935 1 1 1813 . 2 1 1 A 175 175 VAL H H 175 9.140 9.056 0.084 1 1 1814 . 2 1 1 A 175 175 VAL HA H 175 4.150 4.454 -0.304 1 1 1822 . 2 1 1 A 175 175 VAL C C 175 172.500 174.374 -1.874 1 1 1823 . 2 1 1 A 175 175 VAL CA C 175 60.400 61.001 -0.601 1 1 1824 . 2 1 1 A 175 175 VAL CB C 175 33.800 32.334 1.466 1 1 1827 . 2 1 1 A 175 175 VAL N N 175 124.600 127.639 -3.039 1 1 1828 . 2 1 1 A 176 176 HIS H H 176 8.470 8.929 -0.459 1 1 1829 . 2 1 1 A 176 176 HIS HA H 176 5.170 4.766 0.404 1 1 1834 . 2 1 1 A 176 176 HIS C C 176 173.300 174.454 -1.154 1 1 1835 . 2 1 1 A 176 176 HIS CA C 176 53.000 54.750 -1.750 1 1 1836 . 2 1 1 A 176 176 HIS CB C 176 28.700 28.639 0.061 1 1 1839 . 2 1 1 A 176 176 HIS N N 176 123.100 126.532 -3.432 1 1 1840 . 2 1 1 A 177 177 PHE H H 177 9.650 8.787 0.863 1 1 1841 . 2 1 1 A 177 177 PHE HA H 177 5.160 4.589 0.571 1 1 1845 . 2 1 1 A 177 177 PHE C C 177 176.600 175.751 0.849 1 1 1846 . 2 1 1 A 177 177 PHE CA C 177 57.500 58.834 -1.334 1 1 1847 . 2 1 1 A 177 177 PHE CB C 177 39.600 38.914 0.686 1 1 1851 . 2 1 1 A 177 177 PHE N N 177 123.700 124.646 -0.946 1 1 1852 . 2 1 1 A 178 178 LYS H H 178 8.860 8.942 -0.082 1 1 1853 . 2 1 1 A 178 178 LYS HA H 178 5.600 5.155 0.445 1 1 1862 . 2 1 1 A 178 178 LYS C C 178 174.700 175.592 -0.892 1 1 1863 . 2 1 1 A 178 178 LYS CA C 178 54.200 54.847 -0.647 1 1 1864 . 2 1 1 A 178 178 LYS CB C 178 37.000 35.926 1.074 1 1 1868 . 2 1 1 A 178 178 LYS N N 178 124.000 123.214 0.786 1 1 1869 . 2 1 1 A 179 179 GLY H H 179 7.970 8.457 -0.487 1 1 1870 . 2 1 1 A 179 179 GLY HA2 H 179 4.010 4.259 -0.249 1 1 1871 . 2 1 1 A 179 179 GLY HA3 H 179 5.040 4.380 0.660 1 1 1872 . 2 1 1 A 179 179 GLY C C 179 172.900 171.327 1.573 1 1 1873 . 2 1 1 A 179 179 GLY CA C 179 46.600 44.631 1.969 1 1 1874 . 2 1 1 A 179 179 GLY N N 179 110.200 108.275 1.925 1 1 1875 . 2 1 1 A 180 180 GLU H H 180 8.470 8.450 0.020 1 1 1876 . 2 1 1 A 180 180 GLU HA H 180 4.660 4.889 -0.229 1 1 1879 . 2 1 1 A 180 180 GLU C C 180 173.100 173.578 -0.478 1 1 1880 . 2 1 1 A 180 180 GLU CA C 180 55.600 55.514 0.086 1 1 1881 . 2 1 1 A 180 180 GLU CB C 180 34.200 33.455 0.745 1 1 1883 . 2 1 1 A 180 180 GLU N N 180 117.000 120.047 -3.047 1 1 1884 . 2 1 1 A 181 181 VAL H H 181 8.580 8.311 0.269 1 1 1885 . 2 1 1 A 181 181 VAL HA H 181 4.970 5.049 -0.079 1 1 1893 . 2 1 1 A 181 181 VAL C C 181 177.100 175.358 1.742 1 1 1894 . 2 1 1 A 181 181 VAL CA C 181 60.200 60.884 -0.684 1 1 1895 . 2 1 1 A 181 181 VAL CB C 181 31.800 34.414 -2.614 1 1 1898 . 2 1 1 A 181 181 VAL N N 181 124.000 121.801 2.199 1 1 1899 . 2 1 1 A 182 182 VAL H H 182 9.100 9.191 -0.091 1 1 1900 . 2 1 1 A 182 182 VAL HA H 182 4.730 4.757 -0.027 1 1 1908 . 2 1 1 A 182 182 VAL C C 182 175.000 175.425 -0.425 1 1 1909 . 2 1 1 A 182 182 VAL CA C 182 59.100 58.713 0.387 1 1 1910 . 2 1 1 A 182 182 VAL CB C 182 35.000 34.839 0.161 1 1 1913 . 2 1 1 A 182 182 VAL N N 182 122.200 121.591 0.609 1 1 1914 . 2 1 1 A 183 183 ASN H H 183 8.960 8.714 0.246 1 1 1915 . 2 1 1 A 183 183 ASN HA H 183 4.870 4.937 -0.067 1 1 1920 . 2 1 1 A 183 183 ASN C C 183 174.300 174.820 -0.520 1 1 1921 . 2 1 1 A 183 183 ASN CA C 183 53.400 52.387 1.013 1 1 1922 . 2 1 1 A 183 183 ASN CB C 183 38.800 38.584 0.216 1 1 1923 . 2 1 1 A 183 183 ASN N N 183 121.300 121.606 -0.306 1 1 1 . 3 1 1 A 3 3 THR H H 3 8.300 7.847 0.453 1 1 2 . 3 1 1 A 3 3 THR HA H 3 4.410 4.316 0.094 1 1 7 . 3 1 1 A 3 3 THR C C 3 174.700 173.673 1.027 1 1 8 . 3 1 1 A 3 3 THR CA C 3 61.600 62.997 -1.397 1 1 9 . 3 1 1 A 3 3 THR CB C 3 69.900 69.793 0.107 1 1 11 . 3 1 1 A 3 3 THR N N 3 114.000 110.936 3.064 1 1 12 . 3 1 1 A 4 4 THR H H 4 8.230 8.384 -0.154 1 1 13 . 3 1 1 A 4 4 THR HA H 4 4.420 4.427 -0.007 1 1 18 . 3 1 1 A 4 4 THR C C 4 174.600 173.499 1.101 1 1 19 . 3 1 1 A 4 4 THR CA C 4 61.600 62.867 -1.267 1 1 20 . 3 1 1 A 4 4 THR CB C 4 70.000 69.277 0.723 1 1 22 . 3 1 1 A 4 4 THR N N 4 116.800 121.182 -4.382 1 1 23 . 3 1 1 A 5 5 VAL H H 5 8.280 8.270 0.010 1 1 24 . 3 1 1 A 5 5 VAL HA H 5 4.130 4.460 -0.330 1 1 26 . 3 1 1 A 5 5 VAL C C 5 176.100 175.818 0.282 1 1 27 . 3 1 1 A 5 5 VAL CA C 5 62.400 60.181 2.219 1 1 28 . 3 1 1 A 5 5 VAL CB C 5 32.800 33.292 -0.492 1 1 30 . 3 1 1 A 5 5 VAL N N 5 122.500 124.375 -1.875 1 1 31 . 3 1 1 A 6 6 ASN H H 6 8.610 8.821 -0.211 1 1 32 . 3 1 1 A 6 6 ASN HA H 6 4.710 4.524 0.186 1 1 37 . 3 1 1 A 6 6 ASN C C 6 175.800 175.405 0.395 1 1 38 . 3 1 1 A 6 6 ASN CA C 6 53.400 55.840 -2.440 1 1 39 . 3 1 1 A 6 6 ASN CB C 6 38.900 39.680 -0.780 1 1 40 . 3 1 1 A 6 6 ASN N N 6 122.600 127.558 -4.958 1 1 42 . 3 1 1 A 7 7 GLY H H 7 8.450 7.347 1.103 1 1 43 . 3 1 1 A 7 7 GLY C C 7 174.800 173.601 1.199 1 1 44 . 3 1 1 A 7 7 GLY CA C 7 45.600 45.338 0.262 1 1 45 . 3 1 1 A 7 7 GLY N N 7 109.700 103.130 6.570 1 1 46 . 3 1 1 A 8 8 GLY H H 8 8.280 8.626 -0.346 1 1 47 . 3 1 1 A 8 8 GLY HA2 H 8 3.960 4.005 -0.045 1 1 48 . 3 1 1 A 8 8 GLY HA3 H 8 4.030 4.017 0.013 1 1 49 . 3 1 1 A 8 8 GLY C C 8 174.200 173.928 0.272 1 1 50 . 3 1 1 A 8 8 GLY CA C 8 45.200 45.284 -0.084 1 1 51 . 3 1 1 A 8 8 GLY N N 8 108.500 108.834 -0.334 1 1 52 . 3 1 1 A 9 9 THR H H 9 8.100 7.948 0.152 1 1 53 . 3 1 1 A 9 9 THR HA H 9 4.320 4.675 -0.355 1 1 58 . 3 1 1 A 9 9 THR C C 9 174.500 173.876 0.624 1 1 59 . 3 1 1 A 9 9 THR CA C 9 62.000 61.148 0.852 1 1 60 . 3 1 1 A 9 9 THR CB C 9 69.900 69.456 0.444 1 1 62 . 3 1 1 A 9 9 THR N N 9 114.300 114.998 -0.698 1 1 63 . 3 1 1 A 10 10 VAL H H 10 8.170 8.254 -0.084 1 1 64 . 3 1 1 A 10 10 VAL HA H 10 4.040 3.823 0.217 1 1 72 . 3 1 1 A 10 10 VAL C C 10 175.600 176.013 -0.413 1 1 73 . 3 1 1 A 10 10 VAL CA C 10 62.200 63.067 -0.867 1 1 74 . 3 1 1 A 10 10 VAL CB C 10 32.800 29.888 2.912 1 1 77 . 3 1 1 A 10 10 VAL N N 10 122.900 126.181 -3.281 1 1 78 . 3 1 1 A 11 11 HIS H H 11 8.420 8.371 0.049 1 1 79 . 3 1 1 A 11 11 HIS HA H 11 4.670 4.496 0.174 1 1 84 . 3 1 1 A 11 11 HIS CA C 11 55.700 57.606 -1.906 1 1 85 . 3 1 1 A 11 11 HIS CB C 11 30.500 29.724 0.776 1 1 88 . 3 1 1 A 11 11 HIS N N 11 123.300 121.461 1.839 1 1 89 . 3 1 1 A 12 12 PHE H H 12 8.310 8.044 0.266 1 1 90 . 3 1 1 A 12 12 PHE HA H 12 4.620 4.078 0.542 1 1 94 . 3 1 1 A 12 12 PHE C C 12 175.500 174.968 0.532 1 1 95 . 3 1 1 A 12 12 PHE CA C 12 57.700 58.745 -1.045 1 1 96 . 3 1 1 A 12 12 PHE CB C 12 39.900 37.256 2.644 1 1 100 . 3 1 1 A 12 12 PHE N N 12 122.300 117.978 4.322 1 1 101 . 3 1 1 A 13 13 LYS H H 13 8.450 8.203 0.247 1 1 102 . 3 1 1 A 13 13 LYS HA H 13 4.230 4.545 -0.315 1 1 107 . 3 1 1 A 13 13 LYS C C 13 176.600 176.522 0.078 1 1 108 . 3 1 1 A 13 13 LYS CA C 13 56.500 55.481 1.019 1 1 109 . 3 1 1 A 13 13 LYS CB C 13 32.900 30.568 2.332 1 1 113 . 3 1 1 A 13 13 LYS N N 13 124.300 118.130 6.170 1 1 114 . 3 1 1 A 14 14 GLY H H 14 7.940 8.762 -0.822 1 1 115 . 3 1 1 A 14 14 GLY HA2 H 14 3.860 4.189 -0.329 1 1 116 . 3 1 1 A 14 14 GLY HA3 H 14 3.920 4.280 -0.360 1 1 117 . 3 1 1 A 14 14 GLY C C 14 173.800 174.443 -0.643 1 1 118 . 3 1 1 A 14 14 GLY CA C 14 45.200 45.685 -0.485 1 1 119 . 3 1 1 A 14 14 GLY N N 14 109.800 109.963 -0.163 1 1 120 . 3 1 1 A 15 15 GLU H H 15 8.220 8.464 -0.244 1 1 121 . 3 1 1 A 15 15 GLU HA H 15 4.290 4.496 -0.206 1 1 126 . 3 1 1 A 15 15 GLU C C 15 176.400 175.911 0.489 1 1 127 . 3 1 1 A 15 15 GLU CA C 15 56.500 56.441 0.059 1 1 128 . 3 1 1 A 15 15 GLU CB C 15 30.500 29.327 1.173 1 1 130 . 3 1 1 A 15 15 GLU N N 15 120.600 119.392 1.208 1 1 131 . 3 1 1 A 16 16 VAL H H 16 8.300 8.903 -0.603 1 1 132 . 3 1 1 A 16 16 VAL HA H 16 4.110 3.914 0.196 1 1 140 . 3 1 1 A 16 16 VAL C C 16 176.000 175.296 0.704 1 1 141 . 3 1 1 A 16 16 VAL CA C 16 62.300 63.935 -1.635 1 1 142 . 3 1 1 A 16 16 VAL CB C 16 32.900 31.506 1.394 1 1 145 . 3 1 1 A 16 16 VAL N N 16 122.100 124.772 -2.672 1 1 146 . 3 1 1 A 17 17 VAL H H 17 8.290 8.933 -0.643 1 1 147 . 3 1 1 A 17 17 VAL HA H 17 4.110 3.939 0.171 1 1 149 . 3 1 1 A 17 17 VAL C C 17 175.500 174.823 0.677 1 1 150 . 3 1 1 A 17 17 VAL CA C 17 62.000 63.191 -1.191 1 1 151 . 3 1 1 A 17 17 VAL CB C 17 32.800 29.612 3.188 1 1 153 . 3 1 1 A 17 17 VAL N N 17 124.800 120.410 4.390 1 1 154 . 3 1 1 A 18 18 ASN H H 18 8.470 7.461 1.009 1 1 155 . 3 1 1 A 18 18 ASN HA H 18 4.710 5.097 -0.387 1 1 160 . 3 1 1 A 18 18 ASN C C 18 174.100 173.414 0.686 1 1 161 . 3 1 1 A 18 18 ASN CA C 18 52.800 52.529 0.271 1 1 162 . 3 1 1 A 18 18 ASN CB C 18 39.000 39.730 -0.730 1 1 163 . 3 1 1 A 18 18 ASN N N 18 123.200 120.237 2.963 1 1 165 . 3 1 1 A 19 19 ALA H H 19 8.140 8.345 -0.205 1 1 166 . 3 1 1 A 19 19 ALA HA H 19 4.080 4.093 -0.013 1 1 170 . 3 1 1 A 19 19 ALA C C 19 178.000 176.775 1.225 1 1 171 . 3 1 1 A 19 19 ALA CA C 19 51.700 50.390 1.310 1 1 172 . 3 1 1 A 19 19 ALA CB C 19 20.300 20.317 -0.017 1 1 173 . 3 1 1 A 19 19 ALA N N 19 123.400 126.856 -3.456 1 1 174 . 3 1 1 A 20 20 ALA H H 20 6.480 6.879 -0.399 1 1 175 . 3 1 1 A 20 20 ALA HA H 20 3.710 3.797 -0.087 1 1 179 . 3 1 1 A 20 20 ALA C C 20 176.000 177.189 -1.189 1 1 180 . 3 1 1 A 20 20 ALA CA C 20 54.700 53.884 0.816 1 1 181 . 3 1 1 A 20 20 ALA CB C 20 21.000 18.268 2.732 1 1 182 . 3 1 1 A 20 20 ALA N N 20 120.900 123.640 -2.740 1 1 183 . 3 1 1 A 21 21 CYS H H 21 6.330 7.588 -1.258 1 1 184 . 3 1 1 A 21 21 CYS HA H 21 4.780 4.999 -0.219 1 1 187 . 3 1 1 A 21 21 CYS C C 21 172.500 173.655 -1.155 1 1 188 . 3 1 1 A 21 21 CYS CA C 21 53.100 54.981 -1.881 1 1 189 . 3 1 1 A 21 21 CYS CB C 21 50.500 46.390 4.110 1 1 190 . 3 1 1 A 21 21 CYS N N 21 107.800 114.878 -7.078 1 1 191 . 3 1 1 A 22 22 ALA H H 22 8.910 8.571 0.339 1 1 192 . 3 1 1 A 22 22 ALA HA H 22 4.770 4.418 0.352 1 1 196 . 3 1 1 A 22 22 ALA C C 22 176.800 177.782 -0.982 1 1 197 . 3 1 1 A 22 22 ALA CA C 22 50.600 52.417 -1.817 1 1 198 . 3 1 1 A 22 22 ALA CB C 22 21.600 19.929 1.671 1 1 199 . 3 1 1 A 22 22 ALA N N 22 123.900 124.848 -0.948 1 1 200 . 3 1 1 A 23 23 VAL H H 23 8.820 7.890 0.930 1 1 201 . 3 1 1 A 23 23 VAL HA H 23 4.100 4.084 0.016 1 1 209 . 3 1 1 A 23 23 VAL C C 23 176.500 174.526 1.974 1 1 210 . 3 1 1 A 23 23 VAL CA C 23 63.700 62.889 0.811 1 1 211 . 3 1 1 A 23 23 VAL CB C 23 31.500 31.156 0.344 1 1 214 . 3 1 1 A 23 23 VAL N N 23 123.600 115.964 7.636 1 1 215 . 3 1 1 A 24 24 ASP H H 24 8.660 8.548 0.112 1 1 216 . 3 1 1 A 24 24 ASP HA H 24 4.310 4.795 -0.485 1 1 219 . 3 1 1 A 24 24 ASP C C 24 177.600 177.409 0.191 1 1 220 . 3 1 1 A 24 24 ASP CA C 24 56.100 54.105 1.995 1 1 221 . 3 1 1 A 24 24 ASP CB C 24 44.700 41.878 2.822 1 1 222 . 3 1 1 A 24 24 ASP N N 24 128.000 127.493 0.507 1 1 223 . 3 1 1 A 25 25 ALA H H 25 8.870 8.866 0.004 1 1 224 . 3 1 1 A 25 25 ALA HA H 25 4.150 4.051 0.099 1 1 228 . 3 1 1 A 25 25 ALA C C 25 180.200 179.370 0.830 1 1 229 . 3 1 1 A 25 25 ALA CA C 25 55.800 55.380 0.420 1 1 230 . 3 1 1 A 25 25 ALA CB C 25 18.700 18.330 0.370 1 1 231 . 3 1 1 A 25 25 ALA N N 25 127.900 127.034 0.866 1 1 232 . 3 1 1 A 26 26 GLY H H 26 8.700 9.004 -0.304 1 1 233 . 3 1 1 A 26 26 GLY HA2 H 26 4.170 4.025 0.145 1 1 234 . 3 1 1 A 26 26 GLY HA3 H 26 3.850 4.027 -0.177 1 1 235 . 3 1 1 A 26 26 GLY C C 26 175.100 174.504 0.596 1 1 236 . 3 1 1 A 26 26 GLY CA C 26 46.200 46.021 0.179 1 1 237 . 3 1 1 A 26 26 GLY N N 26 105.300 105.807 -0.507 1 1 238 . 3 1 1 A 27 27 SER H H 27 8.300 8.186 0.114 1 1 239 . 3 1 1 A 27 27 SER HA H 27 4.910 4.801 0.109 1 1 242 . 3 1 1 A 27 27 SER C C 27 174.600 175.784 -1.184 1 1 243 . 3 1 1 A 27 27 SER CA C 27 59.300 57.568 1.732 1 1 244 . 3 1 1 A 27 27 SER CB C 27 65.700 65.442 0.258 1 1 245 . 3 1 1 A 27 27 SER N N 27 113.400 112.438 0.962 1 1 246 . 3 1 1 A 28 28 VAL H H 28 7.290 8.166 -0.876 1 1 247 . 3 1 1 A 28 28 VAL HA H 28 4.070 4.142 -0.072 1 1 255 . 3 1 1 A 28 28 VAL C C 28 176.300 176.487 -0.187 1 1 256 . 3 1 1 A 28 28 VAL CA C 28 64.700 64.943 -0.243 1 1 257 . 3 1 1 A 28 28 VAL CB C 28 32.700 32.078 0.622 1 1 260 . 3 1 1 A 28 28 VAL N N 28 119.000 122.611 -3.611 1 1 261 . 3 1 1 A 29 29 ASP H H 29 7.910 8.294 -0.384 1 1 262 . 3 1 1 A 29 29 ASP HA H 29 5.310 5.137 0.173 1 1 265 . 3 1 1 A 29 29 ASP C C 29 175.000 174.926 0.074 1 1 266 . 3 1 1 A 29 29 ASP CA C 29 54.500 53.404 1.096 1 1 267 . 3 1 1 A 29 29 ASP CB C 29 42.700 41.547 1.153 1 1 268 . 3 1 1 A 29 29 ASP N N 29 123.100 120.071 3.029 1 1 269 . 3 1 1 A 30 30 GLN H H 30 7.680 7.551 0.129 1 1 270 . 3 1 1 A 30 30 GLN HA H 30 4.840 4.473 0.367 1 1 275 . 3 1 1 A 30 30 GLN C C 30 173.900 175.890 -1.990 1 1 276 . 3 1 1 A 30 30 GLN CA C 30 55.000 55.814 -0.814 1 1 277 . 3 1 1 A 30 30 GLN CB C 30 32.400 29.599 2.801 1 1 279 . 3 1 1 A 30 30 GLN N N 30 119.700 118.203 1.497 1 1 281 . 3 1 1 A 31 31 THR H H 31 8.960 8.542 0.418 1 1 282 . 3 1 1 A 31 31 THR HA H 31 5.160 4.846 0.314 1 1 287 . 3 1 1 A 31 31 THR C C 31 173.600 173.933 -0.333 1 1 288 . 3 1 1 A 31 31 THR CA C 31 62.000 61.674 0.326 1 1 289 . 3 1 1 A 31 31 THR CB C 31 70.300 69.951 0.349 1 1 291 . 3 1 1 A 31 31 THR N N 31 118.900 119.204 -0.304 1 1 292 . 3 1 1 A 32 32 VAL H H 32 9.210 8.619 0.591 1 1 293 . 3 1 1 A 32 32 VAL HA H 32 4.070 4.601 -0.531 1 1 301 . 3 1 1 A 32 32 VAL C C 32 174.400 175.204 -0.804 1 1 302 . 3 1 1 A 32 32 VAL CA C 32 61.200 61.433 -0.233 1 1 303 . 3 1 1 A 32 32 VAL CB C 32 33.600 33.700 -0.100 1 1 306 . 3 1 1 A 32 32 VAL N N 32 131.300 125.048 6.252 1 1 307 . 3 1 1 A 33 33 GLN H H 33 8.890 8.845 0.045 1 1 308 . 3 1 1 A 33 33 GLN HA H 33 4.760 4.603 0.157 1 1 315 . 3 1 1 A 33 33 GLN C C 33 175.900 175.762 0.138 1 1 316 . 3 1 1 A 33 33 GLN CA C 33 54.400 55.586 -1.186 1 1 317 . 3 1 1 A 33 33 GLN CB C 33 27.500 27.957 -0.457 1 1 319 . 3 1 1 A 33 33 GLN N N 33 127.200 127.796 -0.596 1 1 321 . 3 1 1 A 34 34 LEU H H 34 9.510 9.309 0.201 1 1 322 . 3 1 1 A 34 34 LEU HA H 34 4.290 4.290 0.000 1 1 332 . 3 1 1 A 34 34 LEU C C 34 177.900 177.125 0.775 1 1 333 . 3 1 1 A 34 34 LEU CA C 34 56.200 55.602 0.598 1 1 334 . 3 1 1 A 34 34 LEU CB C 34 41.300 42.327 -1.027 1 1 338 . 3 1 1 A 34 34 LEU N N 34 126.800 126.188 0.612 1 1 339 . 3 1 1 A 35 35 GLY H H 35 8.310 7.917 0.393 1 1 340 . 3 1 1 A 35 35 GLY HA2 H 35 3.810 4.134 -0.324 1 1 341 . 3 1 1 A 35 35 GLY HA3 H 35 4.230 4.137 0.093 1 1 342 . 3 1 1 A 35 35 GLY C C 35 171.900 173.402 -1.502 1 1 343 . 3 1 1 A 35 35 GLY CA C 35 44.400 44.724 -0.324 1 1 344 . 3 1 1 A 35 35 GLY N N 35 106.500 106.201 0.299 1 1 345 . 3 1 1 A 36 36 GLN H H 36 7.990 8.374 -0.384 1 1 346 . 3 1 1 A 36 36 GLN HA H 36 5.310 4.658 0.652 1 1 353 . 3 1 1 A 36 36 GLN C C 36 176.700 175.393 1.307 1 1 354 . 3 1 1 A 36 36 GLN CA C 36 54.500 56.730 -2.230 1 1 355 . 3 1 1 A 36 36 GLN CB C 36 30.100 29.428 0.672 1 1 357 . 3 1 1 A 36 36 GLN N N 36 115.700 119.923 -4.223 1 1 359 . 3 1 1 A 37 37 VAL H H 37 8.910 8.676 0.234 1 1 360 . 3 1 1 A 37 37 VAL HA H 37 4.500 4.660 -0.160 1 1 368 . 3 1 1 A 37 37 VAL C C 37 174.700 174.633 0.067 1 1 369 . 3 1 1 A 37 37 VAL CA C 37 60.200 60.406 -0.206 1 1 370 . 3 1 1 A 37 37 VAL CB C 37 34.800 35.477 -0.677 1 1 373 . 3 1 1 A 37 37 VAL N N 37 124.300 123.844 0.456 1 1 374 . 3 1 1 A 38 38 ARG H H 38 8.750 8.888 -0.138 1 1 375 . 3 1 1 A 38 38 ARG HA H 38 4.940 4.388 0.552 1 1 381 . 3 1 1 A 38 38 ARG C C 38 179.500 177.773 1.727 1 1 382 . 3 1 1 A 38 38 ARG CA C 38 55.700 56.266 -0.566 1 1 383 . 3 1 1 A 38 38 ARG CB C 38 30.700 30.438 0.262 1 1 386 . 3 1 1 A 38 38 ARG N N 38 125.400 124.880 0.520 1 1 388 . 3 1 1 A 39 39 THR H H 39 8.820 8.885 -0.065 1 1 389 . 3 1 1 A 39 39 THR HA H 39 3.320 3.911 -0.591 1 1 394 . 3 1 1 A 39 39 THR C C 39 178.500 176.000 2.500 1 1 395 . 3 1 1 A 39 39 THR CA C 39 65.700 65.097 0.603 1 1 396 . 3 1 1 A 39 39 THR CB C 39 67.300 68.189 -0.889 1 1 398 . 3 1 1 A 39 39 THR N N 39 116.200 118.568 -2.368 1 1 399 . 3 1 1 A 40 40 ALA H H 40 8.060 8.250 -0.190 1 1 400 . 3 1 1 A 40 40 ALA HA H 40 4.110 4.099 0.011 1 1 404 . 3 1 1 A 40 40 ALA C C 40 178.900 179.188 -0.288 1 1 405 . 3 1 1 A 40 40 ALA CA C 40 54.500 54.750 -0.250 1 1 406 . 3 1 1 A 40 40 ALA CB C 40 18.800 18.108 0.692 1 1 407 . 3 1 1 A 40 40 ALA N N 40 121.200 124.920 -3.720 1 1 408 . 3 1 1 A 41 41 SER H H 41 7.580 8.069 -0.489 1 1 409 . 3 1 1 A 41 41 SER HA H 41 4.460 4.384 0.076 1 1 412 . 3 1 1 A 41 41 SER C C 41 172.900 174.027 -1.127 1 1 413 . 3 1 1 A 41 41 SER CA C 41 59.400 60.332 -0.932 1 1 414 . 3 1 1 A 41 41 SER CB C 41 63.700 63.803 -0.103 1 1 415 . 3 1 1 A 41 41 SER N N 41 112.300 111.195 1.105 1 1 416 . 3 1 1 A 42 42 LEU H H 42 7.330 7.981 -0.651 1 1 417 . 3 1 1 A 42 42 LEU HA H 42 4.460 4.500 -0.040 1 1 427 . 3 1 1 A 42 42 LEU C C 42 174.400 175.758 -1.358 1 1 428 . 3 1 1 A 42 42 LEU CA C 42 52.100 53.915 -1.815 1 1 429 . 3 1 1 A 42 42 LEU CB C 42 43.800 42.774 1.026 1 1 433 . 3 1 1 A 42 42 LEU N N 42 124.500 120.746 3.754 1 1 434 . 3 1 1 A 43 43 ALA H H 43 7.520 8.541 -1.021 1 1 435 . 3 1 1 A 43 43 ALA HA H 43 4.550 4.590 -0.040 1 1 439 . 3 1 1 A 43 43 ALA C C 43 176.600 176.092 0.508 1 1 440 . 3 1 1 A 43 43 ALA CA C 43 53.300 51.600 1.700 1 1 441 . 3 1 1 A 43 43 ALA CB C 43 20.000 20.770 -0.770 1 1 442 . 3 1 1 A 43 43 ALA N N 43 118.200 125.103 -6.903 1 1 443 . 3 1 1 A 44 44 GLN H H 44 7.040 7.578 -0.538 1 1 444 . 3 1 1 A 44 44 GLN HA H 44 4.150 4.559 -0.409 1 1 449 . 3 1 1 A 44 44 GLN C C 44 172.800 173.428 -0.628 1 1 450 . 3 1 1 A 44 44 GLN CA C 44 53.400 54.142 -0.742 1 1 451 . 3 1 1 A 44 44 GLN CB C 44 31.600 31.870 -0.270 1 1 453 . 3 1 1 A 44 44 GLN N N 44 111.900 114.912 -3.012 1 1 455 . 3 1 1 A 45 45 GLU H H 45 8.490 8.597 -0.107 1 1 456 . 3 1 1 A 45 45 GLU HA H 45 3.680 3.916 -0.236 1 1 461 . 3 1 1 A 45 45 GLU C C 45 177.500 177.326 0.174 1 1 462 . 3 1 1 A 45 45 GLU CA C 45 57.100 58.142 -1.042 1 1 463 . 3 1 1 A 45 45 GLU CB C 45 28.500 29.301 -0.801 1 1 465 . 3 1 1 A 45 45 GLU N N 45 120.300 122.559 -2.259 1 1 466 . 3 1 1 A 46 46 GLY H H 46 8.520 8.823 -0.303 1 1 467 . 3 1 1 A 46 46 GLY HA2 H 46 4.140 3.446 0.694 1 1 468 . 3 1 1 A 46 46 GLY HA3 H 46 3.050 3.876 -0.826 1 1 469 . 3 1 1 A 46 46 GLY C C 46 173.900 174.195 -0.295 1 1 470 . 3 1 1 A 46 46 GLY CA C 46 44.400 44.846 -0.446 1 1 471 . 3 1 1 A 46 46 GLY N N 46 115.100 114.839 0.261 1 1 472 . 3 1 1 A 47 47 ALA H H 47 7.690 7.872 -0.182 1 1 473 . 3 1 1 A 47 47 ALA HA H 47 4.320 4.213 0.107 1 1 477 . 3 1 1 A 47 47 ALA C C 47 176.000 176.427 -0.427 1 1 478 . 3 1 1 A 47 47 ALA CA C 47 52.800 51.736 1.064 1 1 479 . 3 1 1 A 47 47 ALA CB C 47 19.900 19.774 0.126 1 1 480 . 3 1 1 A 47 47 ALA N N 47 123.600 123.593 0.007 1 1 481 . 3 1 1 A 48 48 THR H H 48 7.960 8.528 -0.568 1 1 482 . 3 1 1 A 48 48 THR HA H 48 5.440 5.148 0.292 1 1 487 . 3 1 1 A 48 48 THR C C 48 175.700 173.968 1.732 1 1 488 . 3 1 1 A 48 48 THR CA C 48 58.500 59.679 -1.179 1 1 489 . 3 1 1 A 48 48 THR CB C 48 73.500 72.296 1.204 1 1 491 . 3 1 1 A 48 48 THR N N 48 107.700 111.915 -4.215 1 1 492 . 3 1 1 A 49 49 SER H H 49 8.240 8.633 -0.393 1 1 493 . 3 1 1 A 49 49 SER HA H 49 4.810 4.710 0.100 1 1 494 . 3 1 1 A 49 49 SER C C 49 174.000 175.443 -1.443 1 1 495 . 3 1 1 A 49 49 SER CA C 49 57.100 57.826 -0.726 1 1 496 . 3 1 1 A 49 49 SER CB C 49 65.800 65.229 0.571 1 1 497 . 3 1 1 A 49 49 SER N N 49 115.400 117.273 -1.873 1 1 498 . 3 1 1 A 50 50 SER H H 50 8.640 8.680 -0.040 1 1 499 . 3 1 1 A 50 50 SER HA H 50 4.340 4.200 0.140 1 1 502 . 3 1 1 A 50 50 SER C C 50 174.200 175.117 -0.917 1 1 503 . 3 1 1 A 50 50 SER CA C 50 59.600 61.497 -1.897 1 1 504 . 3 1 1 A 50 50 SER CB C 50 63.200 63.370 -0.170 1 1 505 . 3 1 1 A 50 50 SER N N 50 114.800 116.229 -1.429 1 1 506 . 3 1 1 A 51 51 ALA H H 51 8.520 7.533 0.987 1 1 507 . 3 1 1 A 51 51 ALA HA H 51 4.640 4.633 0.007 1 1 511 . 3 1 1 A 51 51 ALA C C 51 177.800 176.101 1.699 1 1 512 . 3 1 1 A 51 51 ALA CA C 51 52.000 51.884 0.116 1 1 513 . 3 1 1 A 51 51 ALA CB C 51 20.100 19.775 0.325 1 1 514 . 3 1 1 A 51 51 ALA N N 51 127.800 116.381 11.419 1 1 515 . 3 1 1 A 52 52 VAL H H 52 9.250 8.673 0.577 1 1 516 . 3 1 1 A 52 52 VAL HA H 52 4.380 4.254 0.126 1 1 524 . 3 1 1 A 52 52 VAL C C 52 176.100 174.894 1.206 1 1 525 . 3 1 1 A 52 52 VAL CA C 52 61.200 62.348 -1.148 1 1 526 . 3 1 1 A 52 52 VAL CB C 52 34.800 32.357 2.443 1 1 529 . 3 1 1 A 52 52 VAL N N 52 122.200 122.363 -0.163 1 1 530 . 3 1 1 A 53 53 GLY H H 53 8.730 8.600 0.130 1 1 531 . 3 1 1 A 53 53 GLY HA2 H 53 4.890 4.356 0.534 1 1 532 . 3 1 1 A 53 53 GLY HA3 H 53 3.760 4.464 -0.704 1 1 533 . 3 1 1 A 53 53 GLY C C 53 173.700 173.501 0.199 1 1 534 . 3 1 1 A 53 53 GLY CA C 53 45.400 44.033 1.367 1 1 535 . 3 1 1 A 53 53 GLY N N 53 112.400 114.746 -2.346 1 1 536 . 3 1 1 A 54 54 PHE H H 54 8.500 7.788 0.712 1 1 537 . 3 1 1 A 54 54 PHE HA H 54 4.830 4.896 -0.066 1 1 539 . 3 1 1 A 54 54 PHE C C 54 171.300 175.541 -4.241 1 1 540 . 3 1 1 A 54 54 PHE CA C 54 56.900 56.723 0.177 1 1 541 . 3 1 1 A 54 54 PHE CB C 54 41.600 41.087 0.513 1 1 545 . 3 1 1 A 54 54 PHE N N 54 118.300 116.882 1.418 1 1 546 . 3 1 1 A 55 55 ASN H H 55 9.240 7.762 1.478 1 1 547 . 3 1 1 A 55 55 ASN HA H 55 5.640 4.452 1.188 1 1 552 . 3 1 1 A 55 55 ASN C C 55 175.200 173.477 1.723 1 1 553 . 3 1 1 A 55 55 ASN CA C 55 51.800 55.130 -3.330 1 1 554 . 3 1 1 A 55 55 ASN CB C 55 43.000 37.002 5.998 1 1 555 . 3 1 1 A 55 55 ASN N N 55 117.100 114.810 2.290 1 1 557 . 3 1 1 A 56 56 ILE H H 56 8.780 8.566 0.214 1 1 558 . 3 1 1 A 56 56 ILE HA H 56 4.150 4.548 -0.398 1 1 568 . 3 1 1 A 56 56 ILE C C 56 173.700 174.989 -1.289 1 1 569 . 3 1 1 A 56 56 ILE CA C 56 60.800 60.485 0.315 1 1 570 . 3 1 1 A 56 56 ILE CB C 56 40.000 40.259 -0.259 1 1 574 . 3 1 1 A 56 56 ILE N N 56 119.900 120.297 -0.397 1 1 575 . 3 1 1 A 57 57 GLN H H 57 8.840 8.787 0.053 1 1 576 . 3 1 1 A 57 57 GLN HA H 57 4.970 4.661 0.309 1 1 581 . 3 1 1 A 57 57 GLN C C 57 173.100 175.427 -2.327 1 1 582 . 3 1 1 A 57 57 GLN CA C 57 54.900 56.115 -1.215 1 1 583 . 3 1 1 A 57 57 GLN CB C 57 31.300 29.056 2.244 1 1 585 . 3 1 1 A 57 57 GLN N N 57 128.700 128.445 0.255 1 1 587 . 3 1 1 A 58 58 LEU H H 58 9.090 9.179 -0.089 1 1 588 . 3 1 1 A 58 58 LEU HA H 58 5.010 5.196 -0.186 1 1 598 . 3 1 1 A 58 58 LEU C C 58 174.700 175.693 -0.993 1 1 599 . 3 1 1 A 58 58 LEU CA C 58 52.600 53.211 -0.611 1 1 600 . 3 1 1 A 58 58 LEU CB C 58 43.800 44.793 -0.993 1 1 604 . 3 1 1 A 58 58 LEU N N 58 126.800 129.270 -2.470 1 1 605 . 3 1 1 A 59 59 ASN H H 59 9.670 8.808 0.862 1 1 606 . 3 1 1 A 59 59 ASN HA H 59 5.130 5.233 -0.103 1 1 611 . 3 1 1 A 59 59 ASN C C 59 175.700 174.005 1.695 1 1 612 . 3 1 1 A 59 59 ASN CA C 59 51.200 51.446 -0.246 1 1 613 . 3 1 1 A 59 59 ASN CB C 59 41.500 42.048 -0.548 1 1 614 . 3 1 1 A 59 59 ASN N N 59 119.300 119.944 -0.644 1 1 616 . 3 1 1 A 60 60 ASP H H 60 9.440 9.051 0.389 1 1 617 . 3 1 1 A 60 60 ASP HA H 60 4.240 4.157 0.083 1 1 620 . 3 1 1 A 60 60 ASP C C 60 176.000 175.253 0.747 1 1 621 . 3 1 1 A 60 60 ASP CA C 60 55.200 54.949 0.251 1 1 622 . 3 1 1 A 60 60 ASP CB C 60 39.100 39.083 0.017 1 1 623 . 3 1 1 A 60 60 ASP N N 60 115.200 118.352 -3.152 1 1 624 . 3 1 1 A 61 61 CYS H H 61 8.690 8.155 0.535 1 1 625 . 3 1 1 A 61 61 CYS HA H 61 5.240 4.954 0.286 1 1 628 . 3 1 1 A 61 61 CYS CA C 61 56.800 56.115 0.685 1 1 629 . 3 1 1 A 61 61 CYS CB C 61 41.800 42.814 -1.014 1 1 630 . 3 1 1 A 61 61 CYS N N 61 114.600 118.221 -3.621 1 1 631 . 3 1 1 A 62 62 ASP H H 62 8.280 8.489 -0.209 1 1 632 . 3 1 1 A 62 62 ASP HA H 62 5.040 5.003 0.037 1 1 635 . 3 1 1 A 62 62 ASP C C 62 178.200 176.707 1.493 1 1 636 . 3 1 1 A 62 62 ASP CA C 62 52.300 52.524 -0.224 1 1 637 . 3 1 1 A 62 62 ASP CB C 62 42.000 42.439 -0.439 1 1 638 . 3 1 1 A 62 62 ASP N N 62 122.300 124.682 -2.382 1 1 639 . 3 1 1 A 63 63 THR H H 63 8.620 8.891 -0.271 1 1 640 . 3 1 1 A 63 63 THR HA H 63 4.870 4.395 0.475 1 1 645 . 3 1 1 A 63 63 THR C C 63 176.500 176.419 0.081 1 1 646 . 3 1 1 A 63 63 THR CA C 63 63.100 64.562 -1.462 1 1 647 . 3 1 1 A 63 63 THR CB C 63 68.500 68.839 -0.339 1 1 649 . 3 1 1 A 63 63 THR N N 63 115.500 118.800 -3.300 1 1 650 . 3 1 1 A 64 64 ASN H H 64 8.800 8.234 0.566 1 1 651 . 3 1 1 A 64 64 ASN HA H 64 4.580 4.444 0.136 1 1 656 . 3 1 1 A 64 64 ASN C C 64 176.800 178.383 -1.583 1 1 657 . 3 1 1 A 64 64 ASN CA C 64 55.100 56.170 -1.070 1 1 658 . 3 1 1 A 64 64 ASN CB C 64 38.300 38.308 -0.008 1 1 659 . 3 1 1 A 64 64 ASN N N 64 119.100 121.209 -2.109 1 1 661 . 3 1 1 A 65 65 VAL H H 65 7.780 7.513 0.267 1 1 662 . 3 1 1 A 65 65 VAL HA H 65 3.800 3.619 0.181 1 1 670 . 3 1 1 A 65 65 VAL C C 65 175.900 176.574 -0.674 1 1 671 . 3 1 1 A 65 65 VAL CA C 65 64.400 65.447 -1.047 1 1 672 . 3 1 1 A 65 65 VAL CB C 65 32.500 32.075 0.425 1 1 675 . 3 1 1 A 65 65 VAL N N 65 120.800 117.593 3.207 1 1 676 . 3 1 1 A 66 66 ALA H H 66 7.400 7.356 0.044 1 1 677 . 3 1 1 A 66 66 ALA HA H 66 4.270 4.563 -0.293 1 1 681 . 3 1 1 A 66 66 ALA C C 66 173.800 177.171 -3.371 1 1 682 . 3 1 1 A 66 66 ALA CA C 66 52.400 51.757 0.643 1 1 683 . 3 1 1 A 66 66 ALA CB C 66 23.400 21.465 1.935 1 1 684 . 3 1 1 A 66 66 ALA N N 66 118.100 119.977 -1.877 1 1 685 . 3 1 1 A 67 67 SER H H 67 8.070 8.639 -0.569 1 1 686 . 3 1 1 A 67 67 SER HA H 67 4.720 4.610 0.110 1 1 689 . 3 1 1 A 67 67 SER C C 67 175.100 174.101 0.999 1 1 690 . 3 1 1 A 67 67 SER CA C 67 57.800 59.324 -1.524 1 1 691 . 3 1 1 A 67 67 SER CB C 67 65.200 63.903 1.297 1 1 692 . 3 1 1 A 67 67 SER N N 67 109.700 117.113 -7.413 1 1 693 . 3 1 1 A 68 68 LYS H H 68 8.140 7.739 0.401 1 1 694 . 3 1 1 A 68 68 LYS HA H 68 5.450 5.052 0.398 1 1 699 . 3 1 1 A 68 68 LYS C C 68 174.600 175.037 -0.437 1 1 700 . 3 1 1 A 68 68 LYS CA C 68 54.900 54.722 0.178 1 1 701 . 3 1 1 A 68 68 LYS CB C 68 38.000 37.333 0.667 1 1 705 . 3 1 1 A 68 68 LYS N N 68 121.300 119.588 1.712 1 1 706 . 3 1 1 A 69 69 ALA H H 69 8.560 8.652 -0.092 1 1 707 . 3 1 1 A 69 69 ALA HA H 69 5.630 5.328 0.302 1 1 711 . 3 1 1 A 69 69 ALA C C 69 175.300 175.244 0.056 1 1 712 . 3 1 1 A 69 69 ALA CA C 69 50.000 50.766 -0.766 1 1 713 . 3 1 1 A 69 69 ALA CB C 69 24.500 23.950 0.550 1 1 714 . 3 1 1 A 69 69 ALA N N 69 120.400 121.677 -1.277 1 1 715 . 3 1 1 A 70 70 ALA H H 70 8.660 8.634 0.026 1 1 716 . 3 1 1 A 70 70 ALA HA H 70 4.660 5.518 -0.858 1 1 720 . 3 1 1 A 70 70 ALA C C 70 175.000 175.783 -0.783 1 1 721 . 3 1 1 A 70 70 ALA CA C 70 51.400 50.662 0.738 1 1 722 . 3 1 1 A 70 70 ALA CB C 70 23.800 24.175 -0.375 1 1 723 . 3 1 1 A 70 70 ALA N N 70 121.800 121.255 0.545 1 1 724 . 3 1 1 A 71 71 VAL H H 71 8.730 8.886 -0.156 1 1 725 . 3 1 1 A 71 71 VAL HA H 71 5.230 5.122 0.108 1 1 733 . 3 1 1 A 71 71 VAL C C 71 174.200 175.010 -0.810 1 1 734 . 3 1 1 A 71 71 VAL CA C 71 61.200 60.306 0.894 1 1 735 . 3 1 1 A 71 71 VAL CB C 71 36.100 35.146 0.954 1 1 738 . 3 1 1 A 71 71 VAL N N 71 119.200 119.336 -0.136 1 1 739 . 3 1 1 A 72 72 ALA H H 72 8.200 9.185 -0.985 1 1 740 . 3 1 1 A 72 72 ALA HA H 72 4.680 5.598 -0.918 1 1 744 . 3 1 1 A 72 72 ALA C C 72 176.500 175.785 0.715 1 1 745 . 3 1 1 A 72 72 ALA CA C 72 50.200 50.187 0.013 1 1 746 . 3 1 1 A 72 72 ALA CB C 72 21.000 23.203 -2.203 1 1 747 . 3 1 1 A 72 72 ALA N N 72 127.900 128.316 -0.416 1 1 748 . 3 1 1 A 73 73 PHE H H 73 9.700 8.884 0.816 1 1 749 . 3 1 1 A 73 73 PHE HA H 73 5.270 5.430 -0.160 1 1 753 . 3 1 1 A 73 73 PHE C C 73 174.500 174.515 -0.015 1 1 754 . 3 1 1 A 73 73 PHE CA C 73 57.400 56.138 1.262 1 1 755 . 3 1 1 A 73 73 PHE CB C 73 42.800 43.781 -0.981 1 1 759 . 3 1 1 A 73 73 PHE N N 73 121.600 117.435 4.165 1 1 760 . 3 1 1 A 74 74 LEU H H 74 9.180 8.860 0.320 1 1 761 . 3 1 1 A 74 74 LEU HA H 74 4.670 5.142 -0.472 1 1 771 . 3 1 1 A 74 74 LEU C C 74 175.800 175.160 0.640 1 1 772 . 3 1 1 A 74 74 LEU CA C 74 53.600 53.301 0.299 1 1 773 . 3 1 1 A 74 74 LEU CB C 74 45.400 45.921 -0.521 1 1 777 . 3 1 1 A 74 74 LEU N N 74 122.100 122.498 -0.398 1 1 778 . 3 1 1 A 75 75 GLY H H 75 8.460 8.462 -0.002 1 1 779 . 3 1 1 A 75 75 GLY HA2 H 75 3.960 4.218 -0.258 1 1 780 . 3 1 1 A 75 75 GLY HA3 H 75 4.380 4.232 0.148 1 1 781 . 3 1 1 A 75 75 GLY C C 75 171.100 171.827 -0.727 1 1 782 . 3 1 1 A 75 75 GLY CA C 75 44.900 45.821 -0.921 1 1 783 . 3 1 1 A 75 75 GLY N N 75 111.400 109.182 2.218 1 1 784 . 3 1 1 A 76 76 THR H H 76 8.450 8.703 -0.253 1 1 785 . 3 1 1 A 76 76 THR HA H 76 4.230 4.377 -0.147 1 1 790 . 3 1 1 A 76 76 THR C C 76 173.500 174.664 -1.164 1 1 791 . 3 1 1 A 76 76 THR CA C 76 62.600 63.031 -0.431 1 1 792 . 3 1 1 A 76 76 THR CB C 76 69.800 69.238 0.562 1 1 794 . 3 1 1 A 76 76 THR N N 76 118.300 115.944 2.356 1 1 795 . 3 1 1 A 77 77 ALA H H 77 8.740 8.857 -0.117 1 1 796 . 3 1 1 A 77 77 ALA HA H 77 4.860 4.640 0.220 1 1 800 . 3 1 1 A 77 77 ALA C C 77 179.700 178.183 1.517 1 1 801 . 3 1 1 A 77 77 ALA CA C 77 51.700 52.212 -0.512 1 1 802 . 3 1 1 A 77 77 ALA CB C 77 19.600 19.363 0.237 1 1 803 . 3 1 1 A 77 77 ALA N N 77 130.800 127.963 2.837 1 1 804 . 3 1 1 A 78 78 ILE H H 78 9.000 8.712 0.288 1 1 805 . 3 1 1 A 78 78 ILE HA H 78 3.820 4.043 -0.223 1 1 815 . 3 1 1 A 78 78 ILE C C 78 173.900 174.635 -0.735 1 1 816 . 3 1 1 A 78 78 ILE CA C 78 65.500 63.695 1.805 1 1 817 . 3 1 1 A 78 78 ILE CB C 78 39.200 38.557 0.643 1 1 821 . 3 1 1 A 78 78 ILE N N 78 122.600 122.640 -0.040 1 1 822 . 3 1 1 A 79 79 ASP H H 79 7.360 7.800 -0.440 1 1 823 . 3 1 1 A 79 79 ASP HA H 79 4.450 4.837 -0.387 1 1 826 . 3 1 1 A 79 79 ASP C C 79 175.700 175.414 0.286 1 1 827 . 3 1 1 A 79 79 ASP CA C 79 53.900 53.515 0.385 1 1 828 . 3 1 1 A 79 79 ASP CB C 79 41.800 43.672 -1.872 1 1 829 . 3 1 1 A 79 79 ASP N N 79 113.600 119.968 -6.368 1 1 830 . 3 1 1 A 80 80 ALA H H 80 8.510 8.827 -0.317 1 1 831 . 3 1 1 A 80 80 ALA HA H 80 4.100 4.020 0.080 1 1 835 . 3 1 1 A 80 80 ALA C C 80 178.600 179.642 -1.042 1 1 836 . 3 1 1 A 80 80 ALA CA C 80 54.200 55.175 -0.975 1 1 837 . 3 1 1 A 80 80 ALA CB C 80 18.600 18.358 0.242 1 1 838 . 3 1 1 A 80 80 ALA N N 80 118.700 125.341 -6.641 1 1 839 . 3 1 1 A 81 81 GLY H H 81 8.440 8.741 -0.301 1 1 840 . 3 1 1 A 81 81 GLY HA2 H 81 3.490 3.904 -0.414 1 1 841 . 3 1 1 A 81 81 GLY HA3 H 81 4.120 3.990 0.130 1 1 842 . 3 1 1 A 81 81 GLY C C 81 174.100 174.630 -0.530 1 1 843 . 3 1 1 A 81 81 GLY CA C 81 44.800 46.327 -1.527 1 1 844 . 3 1 1 A 81 81 GLY N N 81 104.400 105.278 -0.878 1 1 845 . 3 1 1 A 82 82 HIS H H 82 7.830 7.654 0.176 1 1 846 . 3 1 1 A 82 82 HIS HA H 82 4.920 4.951 -0.031 1 1 851 . 3 1 1 A 82 82 HIS C C 82 174.600 174.782 -0.182 1 1 852 . 3 1 1 A 82 82 HIS CA C 82 54.700 54.117 0.583 1 1 853 . 3 1 1 A 82 82 HIS CB C 82 28.100 29.287 -1.187 1 1 856 . 3 1 1 A 82 82 HIS N N 82 120.400 117.692 2.708 1 1 857 . 3 1 1 A 83 83 THR H H 83 8.220 8.003 0.217 1 1 858 . 3 1 1 A 83 83 THR HA H 83 4.090 4.081 0.009 1 1 863 . 3 1 1 A 83 83 THR C C 83 174.300 174.839 -0.539 1 1 864 . 3 1 1 A 83 83 THR CA C 83 63.600 64.583 -0.983 1 1 865 . 3 1 1 A 83 83 THR CB C 83 68.500 68.644 -0.144 1 1 867 . 3 1 1 A 83 83 THR N N 83 109.800 112.600 -2.800 1 1 868 . 3 1 1 A 84 84 ASN H H 84 7.490 8.259 -0.769 1 1 869 . 3 1 1 A 84 84 ASN HA H 84 4.810 4.640 0.170 1 1 874 . 3 1 1 A 84 84 ASN C C 84 174.100 174.484 -0.384 1 1 875 . 3 1 1 A 84 84 ASN CA C 84 51.100 53.232 -2.132 1 1 876 . 3 1 1 A 84 84 ASN CB C 84 38.100 37.775 0.325 1 1 877 . 3 1 1 A 84 84 ASN N N 84 115.800 118.271 -2.471 1 1 879 . 3 1 1 A 85 85 VAL H H 85 7.300 7.750 -0.450 1 1 880 . 3 1 1 A 85 85 VAL HA H 85 4.090 4.445 -0.355 1 1 888 . 3 1 1 A 85 85 VAL C C 85 173.700 175.501 -1.801 1 1 889 . 3 1 1 A 85 85 VAL CA C 85 61.600 60.649 0.951 1 1 890 . 3 1 1 A 85 85 VAL CB C 85 33.600 34.775 -1.175 1 1 893 . 3 1 1 A 85 85 VAL N N 85 120.200 119.795 0.405 1 1 894 . 3 1 1 A 86 86 LEU H H 86 9.850 8.776 1.074 1 1 895 . 3 1 1 A 86 86 LEU HA H 86 4.220 4.628 -0.408 1 1 905 . 3 1 1 A 86 86 LEU C C 86 176.800 178.379 -1.579 1 1 906 . 3 1 1 A 86 86 LEU CA C 86 55.000 54.669 0.331 1 1 907 . 3 1 1 A 86 86 LEU CB C 86 44.200 42.495 1.705 1 1 911 . 3 1 1 A 86 86 LEU N N 86 130.700 127.990 2.710 1 1 912 . 3 1 1 A 87 87 ALA H H 87 8.670 8.109 0.561 1 1 913 . 3 1 1 A 87 87 ALA HA H 87 4.110 4.642 -0.532 1 1 917 . 3 1 1 A 87 87 ALA C C 87 177.000 177.603 -0.603 1 1 918 . 3 1 1 A 87 87 ALA CA C 87 51.500 51.322 0.178 1 1 919 . 3 1 1 A 87 87 ALA CB C 87 20.000 18.761 1.239 1 1 920 . 3 1 1 A 87 87 ALA N N 87 123.600 125.717 -2.117 1 1 921 . 3 1 1 A 88 88 LEU H H 88 8.590 7.995 0.595 1 1 922 . 3 1 1 A 88 88 LEU HA H 88 4.780 4.470 0.310 1 1 932 . 3 1 1 A 88 88 LEU C C 88 179.400 175.851 3.549 1 1 933 . 3 1 1 A 88 88 LEU CA C 88 53.500 57.055 -3.555 1 1 934 . 3 1 1 A 88 88 LEU CB C 88 41.600 40.793 0.807 1 1 938 . 3 1 1 A 88 88 LEU N N 88 116.800 116.219 0.581 1 1 939 . 3 1 1 A 89 89 GLN H H 89 9.050 7.974 1.076 1 1 940 . 3 1 1 A 89 89 GLN HA H 89 4.340 4.962 -0.622 1 1 945 . 3 1 1 A 89 89 GLN C C 89 177.200 175.647 1.553 1 1 946 . 3 1 1 A 89 89 GLN CA C 89 55.800 54.121 1.679 1 1 947 . 3 1 1 A 89 89 GLN CB C 89 29.900 31.804 -1.904 1 1 949 . 3 1 1 A 89 89 GLN N N 89 120.900 117.021 3.879 1 1 951 . 3 1 1 A 90 90 SER H H 90 8.660 8.745 -0.085 1 1 952 . 3 1 1 A 90 90 SER HA H 90 4.520 4.486 0.034 1 1 955 . 3 1 1 A 90 90 SER C C 90 174.100 174.306 -0.206 1 1 956 . 3 1 1 A 90 90 SER CA C 90 58.400 59.134 -0.734 1 1 957 . 3 1 1 A 90 90 SER CB C 90 63.800 63.315 0.485 1 1 958 . 3 1 1 A 90 90 SER N N 90 118.600 117.056 1.544 1 1 959 . 3 1 1 A 91 91 SER H H 91 8.360 8.903 -0.543 1 1 960 . 3 1 1 A 91 91 SER HA H 91 4.640 4.004 0.636 1 1 963 . 3 1 1 A 91 91 SER C C 91 175.100 175.091 0.009 1 1 964 . 3 1 1 A 91 91 SER CA C 91 57.700 58.926 -1.226 1 1 965 . 3 1 1 A 91 91 SER CB C 91 64.900 61.949 2.951 1 1 966 . 3 1 1 A 91 91 SER N N 91 117.100 115.091 2.009 1 1 967 . 3 1 1 A 92 92 ALA H H 92 8.720 7.863 0.857 1 1 968 . 3 1 1 A 92 92 ALA HA H 92 4.230 4.003 0.227 1 1 972 . 3 1 1 A 92 92 ALA C C 92 178.400 177.775 0.625 1 1 973 . 3 1 1 A 92 92 ALA CA C 92 54.000 54.761 -0.761 1 1 974 . 3 1 1 A 92 92 ALA CB C 92 18.700 18.440 0.260 1 1 975 . 3 1 1 A 92 92 ALA N N 92 127.600 124.619 2.981 1 1 976 . 3 1 1 A 93 93 ALA H H 93 8.180 7.693 0.487 1 1 977 . 3 1 1 A 93 93 ALA HA H 93 4.340 4.586 -0.246 1 1 981 . 3 1 1 A 93 93 ALA C C 93 178.000 178.154 -0.154 1 1 982 . 3 1 1 A 93 93 ALA CA C 93 52.700 51.184 1.516 1 1 983 . 3 1 1 A 93 93 ALA CB C 93 19.100 20.388 -1.288 1 1 984 . 3 1 1 A 93 93 ALA N N 93 119.800 118.240 1.560 1 1 985 . 3 1 1 A 94 94 GLY H H 94 7.880 8.247 -0.367 1 1 986 . 3 1 1 A 94 94 GLY HA2 H 94 4.370 3.983 0.387 1 1 987 . 3 1 1 A 94 94 GLY HA3 H 94 3.780 3.987 -0.207 1 1 988 . 3 1 1 A 94 94 GLY C C 94 174.400 174.148 0.252 1 1 989 . 3 1 1 A 94 94 GLY CA C 94 45.200 45.386 -0.186 1 1 990 . 3 1 1 A 94 94 GLY N N 94 107.900 107.087 0.813 1 1 991 . 3 1 1 A 95 95 SER H H 95 8.510 7.415 1.095 1 1 992 . 3 1 1 A 95 95 SER HA H 95 5.060 4.484 0.576 1 1 995 . 3 1 1 A 95 95 SER C C 95 174.400 174.058 0.342 1 1 996 . 3 1 1 A 95 95 SER CA C 95 58.000 58.628 -0.628 1 1 997 . 3 1 1 A 95 95 SER CB C 95 65.100 64.083 1.017 1 1 998 . 3 1 1 A 95 95 SER N N 95 119.300 116.448 2.852 1 1 999 . 3 1 1 A 96 96 ALA H H 96 8.340 8.613 -0.273 1 1 1000 . 3 1 1 A 96 96 ALA HA H 96 3.830 4.263 -0.433 1 1 1004 . 3 1 1 A 96 96 ALA C C 96 176.800 177.353 -0.553 1 1 1005 . 3 1 1 A 96 96 ALA CA C 96 53.200 52.936 0.264 1 1 1006 . 3 1 1 A 96 96 ALA CB C 96 19.700 18.886 0.814 1 1 1007 . 3 1 1 A 96 96 ALA N N 96 126.000 125.860 0.140 1 1 1008 . 3 1 1 A 97 97 THR H H 97 7.150 8.645 -1.495 1 1 1009 . 3 1 1 A 97 97 THR HA H 97 4.760 4.683 0.077 1 1 1014 . 3 1 1 A 97 97 THR C C 97 173.100 174.158 -1.058 1 1 1015 . 3 1 1 A 97 97 THR CA C 97 60.300 60.936 -0.636 1 1 1016 . 3 1 1 A 97 97 THR CB C 97 71.600 70.476 1.124 1 1 1018 . 3 1 1 A 97 97 THR N N 97 109.600 114.243 -4.643 1 1 1019 . 3 1 1 A 98 98 ASN H H 98 8.920 8.860 0.060 1 1 1020 . 3 1 1 A 98 98 ASN HA H 98 4.030 4.299 -0.269 1 1 1025 . 3 1 1 A 98 98 ASN C C 98 173.600 173.795 -0.195 1 1 1026 . 3 1 1 A 98 98 ASN CA C 98 53.800 54.387 -0.587 1 1 1027 . 3 1 1 A 98 98 ASN CB C 98 35.500 37.305 -1.805 1 1 1028 . 3 1 1 A 98 98 ASN N N 98 112.300 117.873 -5.573 1 1 1030 . 3 1 1 A 99 99 VAL H H 99 7.170 7.684 -0.514 1 1 1031 . 3 1 1 A 99 99 VAL HA H 99 4.920 4.884 0.036 1 1 1039 . 3 1 1 A 99 99 VAL C C 99 172.400 174.223 -1.823 1 1 1040 . 3 1 1 A 99 99 VAL CA C 99 60.100 59.836 0.264 1 1 1041 . 3 1 1 A 99 99 VAL CB C 99 34.800 35.264 -0.464 1 1 1044 . 3 1 1 A 99 99 VAL N N 99 112.000 117.547 -5.547 1 1 1045 . 3 1 1 A 100 100 GLY H H 100 8.480 8.520 -0.040 1 1 1046 . 3 1 1 A 100 100 GLY HA2 H 100 3.960 4.349 -0.389 1 1 1047 . 3 1 1 A 100 100 GLY HA3 H 100 4.530 4.380 0.150 1 1 1048 . 3 1 1 A 100 100 GLY C C 100 172.600 172.088 0.512 1 1 1049 . 3 1 1 A 100 100 GLY CA C 100 45.000 45.350 -0.350 1 1 1050 . 3 1 1 A 100 100 GLY N N 100 112.100 112.394 -0.294 1 1 1051 . 3 1 1 A 101 101 VAL H H 101 8.030 8.455 -0.425 1 1 1052 . 3 1 1 A 101 101 VAL HA H 101 4.680 4.299 0.381 1 1 1060 . 3 1 1 A 101 101 VAL C C 101 174.500 174.828 -0.328 1 1 1061 . 3 1 1 A 101 101 VAL CA C 101 61.300 61.595 -0.295 1 1 1062 . 3 1 1 A 101 101 VAL CB C 101 34.900 32.691 2.209 1 1 1065 . 3 1 1 A 101 101 VAL N N 101 120.000 120.559 -0.559 1 1 1066 . 3 1 1 A 102 102 GLN H H 102 9.150 8.376 0.774 1 1 1067 . 3 1 1 A 102 102 GLN HA H 102 4.700 4.825 -0.125 1 1 1074 . 3 1 1 A 102 102 GLN C C 102 173.600 174.618 -1.018 1 1 1075 . 3 1 1 A 102 102 GLN CA C 102 54.100 54.035 0.065 1 1 1076 . 3 1 1 A 102 102 GLN CB C 102 34.200 32.980 1.220 1 1 1078 . 3 1 1 A 102 102 GLN N N 102 124.500 122.983 1.517 1 1 1080 . 3 1 1 A 103 103 ILE H H 103 9.560 8.436 1.124 1 1 1081 . 3 1 1 A 103 103 ILE HA H 103 4.440 4.909 -0.469 1 1 1091 . 3 1 1 A 103 103 ILE C C 103 174.000 175.045 -1.045 1 1 1092 . 3 1 1 A 103 103 ILE CA C 103 60.800 59.479 1.321 1 1 1093 . 3 1 1 A 103 103 ILE CB C 103 39.600 41.123 -1.523 1 1 1097 . 3 1 1 A 103 103 ILE N N 103 123.600 120.765 2.835 1 1 1098 . 3 1 1 A 104 104 LEU H H 104 9.380 8.852 0.528 1 1 1099 . 3 1 1 A 104 104 LEU HA H 104 5.320 5.216 0.104 1 1 1109 . 3 1 1 A 104 104 LEU C C 104 177.700 176.612 1.088 1 1 1110 . 3 1 1 A 104 104 LEU CA C 104 52.500 53.549 -1.049 1 1 1111 . 3 1 1 A 104 104 LEU CB C 104 43.900 44.975 -1.075 1 1 1115 . 3 1 1 A 104 104 LEU N N 104 125.000 126.448 -1.448 1 1 1116 . 3 1 1 A 105 105 ASP H H 105 8.200 8.759 -0.559 1 1 1117 . 3 1 1 A 105 105 ASP HA H 105 4.960 4.582 0.378 1 1 1120 . 3 1 1 A 105 105 ASP C C 105 179.000 176.936 2.064 1 1 1121 . 3 1 1 A 105 105 ASP CA C 105 52.000 57.316 -5.316 1 1 1122 . 3 1 1 A 105 105 ASP CB C 105 42.700 41.307 1.393 1 1 1123 . 3 1 1 A 105 105 ASP N N 105 117.900 123.795 -5.895 1 1 1124 . 3 1 1 A 106 106 ARG H H 106 8.680 7.913 0.767 1 1 1125 . 3 1 1 A 106 106 ARG HA H 106 4.040 4.378 -0.338 1 1 1131 . 3 1 1 A 106 106 ARG C C 106 177.000 177.330 -0.330 1 1 1132 . 3 1 1 A 106 106 ARG CA C 106 58.300 56.698 1.602 1 1 1133 . 3 1 1 A 106 106 ARG CB C 106 29.300 32.416 -3.116 1 1 1136 . 3 1 1 A 106 106 ARG N N 106 117.500 114.457 3.043 1 1 1138 . 3 1 1 A 107 107 THR H H 107 8.180 7.985 0.195 1 1 1139 . 3 1 1 A 107 107 THR HA H 107 4.380 4.375 0.005 1 1 1144 . 3 1 1 A 107 107 THR C C 107 175.800 174.720 1.080 1 1 1145 . 3 1 1 A 107 107 THR CA C 107 62.100 62.409 -0.309 1 1 1146 . 3 1 1 A 107 107 THR CB C 107 70.200 69.143 1.057 1 1 1148 . 3 1 1 A 107 107 THR N N 107 111.000 115.033 -4.033 1 1 1149 . 3 1 1 A 108 108 GLY H H 108 8.250 7.809 0.441 1 1 1150 . 3 1 1 A 108 108 GLY HA2 H 108 3.460 3.970 -0.510 1 1 1151 . 3 1 1 A 108 108 GLY HA3 H 108 4.310 3.971 0.339 1 1 1152 . 3 1 1 A 108 108 GLY C C 108 172.600 174.738 -2.138 1 1 1153 . 3 1 1 A 108 108 GLY CA C 108 45.000 46.242 -1.242 1 1 1154 . 3 1 1 A 108 108 GLY N N 108 109.900 110.705 -0.805 1 1 1155 . 3 1 1 A 109 109 ALA H H 109 7.380 8.039 -0.659 1 1 1156 . 3 1 1 A 109 109 ALA HA H 109 4.280 4.253 0.027 1 1 1160 . 3 1 1 A 109 109 ALA C C 109 176.300 176.950 -0.650 1 1 1161 . 3 1 1 A 109 109 ALA CA C 109 51.500 52.413 -0.913 1 1 1162 . 3 1 1 A 109 109 ALA CB C 109 19.800 18.945 0.855 1 1 1163 . 3 1 1 A 109 109 ALA N N 109 123.700 123.575 0.125 1 1 1164 . 3 1 1 A 110 110 ALA H H 110 8.240 8.315 -0.075 1 1 1165 . 3 1 1 A 110 110 ALA HA H 110 4.710 4.296 0.414 1 1 1169 . 3 1 1 A 110 110 ALA C C 110 178.500 177.593 0.907 1 1 1170 . 3 1 1 A 110 110 ALA CA C 110 51.500 52.448 -0.948 1 1 1171 . 3 1 1 A 110 110 ALA CB C 110 18.800 18.970 -0.170 1 1 1172 . 3 1 1 A 110 110 ALA N N 110 123.400 126.012 -2.612 1 1 1173 . 3 1 1 A 111 111 LEU H H 111 8.880 8.419 0.461 1 1 1174 . 3 1 1 A 111 111 LEU HA H 111 4.480 4.376 0.104 1 1 1184 . 3 1 1 A 111 111 LEU C C 111 176.900 177.563 -0.663 1 1 1185 . 3 1 1 A 111 111 LEU CA C 111 54.500 54.485 0.015 1 1 1186 . 3 1 1 A 111 111 LEU CB C 111 42.400 42.542 -0.142 1 1 1190 . 3 1 1 A 111 111 LEU N N 111 125.900 123.296 2.604 1 1 1191 . 3 1 1 A 112 112 THR H H 112 7.980 8.520 -0.540 1 1 1192 . 3 1 1 A 112 112 THR HA H 112 3.940 4.540 -0.600 1 1 1197 . 3 1 1 A 112 112 THR C C 112 174.700 174.191 0.509 1 1 1198 . 3 1 1 A 112 112 THR CA C 112 63.600 61.459 2.141 1 1 1199 . 3 1 1 A 112 112 THR CB C 112 69.100 70.109 -1.009 1 1 1201 . 3 1 1 A 112 112 THR N N 112 114.300 117.808 -3.508 1 1 1202 . 3 1 1 A 113 113 LEU H H 113 7.460 8.725 -1.265 1 1 1203 . 3 1 1 A 113 113 LEU HA H 113 4.860 4.901 -0.041 1 1 1213 . 3 1 1 A 113 113 LEU C C 113 177.000 176.024 0.976 1 1 1214 . 3 1 1 A 113 113 LEU CA C 113 54.700 54.105 0.595 1 1 1215 . 3 1 1 A 113 113 LEU CB C 113 42.100 42.219 -0.119 1 1 1219 . 3 1 1 A 113 113 LEU N N 113 124.600 123.192 1.408 1 1 1220 . 3 1 1 A 114 114 ASP H H 114 7.680 8.845 -1.165 1 1 1221 . 3 1 1 A 114 114 ASP HA H 114 4.640 4.780 -0.140 1 1 1224 . 3 1 1 A 114 114 ASP C C 114 178.100 176.542 1.558 1 1 1225 . 3 1 1 A 114 114 ASP CA C 114 53.600 54.073 -0.473 1 1 1226 . 3 1 1 A 114 114 ASP CB C 114 41.400 41.994 -0.594 1 1 1227 . 3 1 1 A 114 114 ASP N N 114 116.100 125.396 -9.296 1 1 1228 . 3 1 1 A 115 115 GLY H H 115 8.730 7.913 0.817 1 1 1229 . 3 1 1 A 115 115 GLY HA2 H 115 3.920 3.922 -0.002 1 1 1230 . 3 1 1 A 115 115 GLY HA3 H 115 3.190 3.936 -0.746 1 1 1231 . 3 1 1 A 115 115 GLY C C 115 172.400 173.916 -1.516 1 1 1232 . 3 1 1 A 115 115 GLY CA C 115 46.500 45.736 0.764 1 1 1233 . 3 1 1 A 115 115 GLY N N 115 110.200 107.517 2.683 1 1 1234 . 3 1 1 A 116 116 ALA H H 116 7.930 7.893 0.037 1 1 1235 . 3 1 1 A 116 116 ALA HA H 116 4.380 4.581 -0.201 1 1 1239 . 3 1 1 A 116 116 ALA C C 116 176.100 177.304 -1.204 1 1 1240 . 3 1 1 A 116 116 ALA CA C 116 51.300 52.272 -0.972 1 1 1241 . 3 1 1 A 116 116 ALA CB C 116 20.700 21.538 -0.838 1 1 1242 . 3 1 1 A 116 116 ALA N N 116 120.900 121.275 -0.375 1 1 1243 . 3 1 1 A 117 117 THR H H 117 7.720 7.637 0.083 1 1 1244 . 3 1 1 A 117 117 THR HA H 117 4.400 4.302 0.098 1 1 1249 . 3 1 1 A 117 117 THR C C 117 173.700 174.451 -0.751 1 1 1250 . 3 1 1 A 117 117 THR CA C 117 62.000 64.167 -2.167 1 1 1251 . 3 1 1 A 117 117 THR CB C 117 68.400 69.244 -0.844 1 1 1253 . 3 1 1 A 117 117 THR N N 117 118.200 115.319 2.881 1 1 1254 . 3 1 1 A 118 118 PHE H H 118 8.880 8.768 0.112 1 1 1255 . 3 1 1 A 118 118 PHE HA H 118 4.280 4.873 -0.593 1 1 1256 . 3 1 1 A 118 118 PHE C C 118 176.400 175.775 0.625 1 1 1257 . 3 1 1 A 118 118 PHE CA C 118 59.000 55.989 3.011 1 1 1258 . 3 1 1 A 118 118 PHE CB C 118 40.300 40.096 0.204 1 1 1259 . 3 1 1 A 118 118 PHE N N 118 126.400 126.912 -0.512 1 1 1260 . 3 1 1 A 119 119 SER H H 119 9.240 8.867 0.373 1 1 1261 . 3 1 1 A 119 119 SER HA H 119 4.570 4.606 -0.036 1 1 1264 . 3 1 1 A 119 119 SER C C 119 172.700 174.450 -1.750 1 1 1265 . 3 1 1 A 119 119 SER CA C 119 58.100 57.925 0.175 1 1 1266 . 3 1 1 A 119 119 SER CB C 119 66.400 64.396 2.004 1 1 1267 . 3 1 1 A 119 119 SER N N 119 116.900 115.775 1.125 1 1 1268 . 3 1 1 A 120 120 SER H H 120 9.030 8.842 0.188 1 1 1269 . 3 1 1 A 120 120 SER HA H 120 4.220 4.487 -0.267 1 1 1272 . 3 1 1 A 120 120 SER C C 120 175.800 174.704 1.096 1 1 1273 . 3 1 1 A 120 120 SER CA C 120 59.500 58.628 0.872 1 1 1274 . 3 1 1 A 120 120 SER CB C 120 62.800 63.597 -0.797 1 1 1275 . 3 1 1 A 120 120 SER N N 120 113.500 116.976 -3.476 1 1 1276 . 3 1 1 A 121 121 GLU H H 121 8.890 8.773 0.117 1 1 1277 . 3 1 1 A 121 121 GLU HA H 121 4.440 4.881 -0.441 1 1 1282 . 3 1 1 A 121 121 GLU C C 121 177.300 176.085 1.215 1 1 1283 . 3 1 1 A 121 121 GLU CA C 121 57.400 57.118 0.282 1 1 1284 . 3 1 1 A 121 121 GLU CB C 121 30.600 30.549 0.051 1 1 1286 . 3 1 1 A 121 121 GLU N N 121 123.700 123.641 0.059 1 1 1287 . 3 1 1 A 122 122 THR H H 122 9.370 8.882 0.488 1 1 1288 . 3 1 1 A 122 122 THR HA H 122 4.530 4.743 -0.213 1 1 1293 . 3 1 1 A 122 122 THR C C 122 173.900 173.554 0.346 1 1 1294 . 3 1 1 A 122 122 THR CA C 122 62.500 61.259 1.241 1 1 1295 . 3 1 1 A 122 122 THR CB C 122 72.000 71.744 0.256 1 1 1297 . 3 1 1 A 122 122 THR N N 122 122.600 117.087 5.513 1 1 1298 . 3 1 1 A 123 123 THR H H 123 8.930 8.836 0.094 1 1 1299 . 3 1 1 A 123 123 THR HA H 123 4.400 4.503 -0.103 1 1 1304 . 3 1 1 A 123 123 THR C C 123 173.900 174.464 -0.564 1 1 1305 . 3 1 1 A 123 123 THR CA C 123 63.500 63.963 -0.463 1 1 1306 . 3 1 1 A 123 123 THR CB C 123 68.700 68.776 -0.076 1 1 1308 . 3 1 1 A 123 123 THR N N 123 124.900 121.587 3.313 1 1 1309 . 3 1 1 A 124 124 LEU H H 124 8.360 9.171 -0.811 1 1 1310 . 3 1 1 A 124 124 LEU HA H 124 4.240 4.604 -0.364 1 1 1320 . 3 1 1 A 124 124 LEU C C 124 176.400 175.713 0.687 1 1 1321 . 3 1 1 A 124 124 LEU CA C 124 54.300 54.348 -0.048 1 1 1322 . 3 1 1 A 124 124 LEU CB C 124 43.300 42.134 1.166 1 1 1326 . 3 1 1 A 124 124 LEU N N 124 127.700 128.176 -0.476 1 1 1327 . 3 1 1 A 125 125 ASN H H 125 8.950 8.974 -0.024 1 1 1328 . 3 1 1 A 125 125 ASN HA H 125 4.930 5.310 -0.380 1 1 1333 . 3 1 1 A 125 125 ASN C C 125 175.800 174.381 1.419 1 1 1334 . 3 1 1 A 125 125 ASN CA C 125 51.100 51.726 -0.626 1 1 1335 . 3 1 1 A 125 125 ASN CB C 125 41.800 42.151 -0.351 1 1 1336 . 3 1 1 A 125 125 ASN N N 125 117.400 115.593 1.807 1 1 1338 . 3 1 1 A 126 126 ASN H H 126 8.890 8.753 0.137 1 1 1339 . 3 1 1 A 126 126 ASN HA H 126 4.640 4.585 0.055 1 1 1344 . 3 1 1 A 126 126 ASN C C 126 177.400 176.079 1.321 1 1 1345 . 3 1 1 A 126 126 ASN CA C 126 54.500 54.971 -0.471 1 1 1346 . 3 1 1 A 126 126 ASN CB C 126 38.200 37.603 0.597 1 1 1347 . 3 1 1 A 126 126 ASN N N 126 120.300 120.121 0.179 1 1 1349 . 3 1 1 A 127 127 GLY H H 127 9.090 8.347 0.743 1 1 1350 . 3 1 1 A 127 127 GLY HA2 H 127 3.650 4.125 -0.475 1 1 1351 . 3 1 1 A 127 127 GLY HA3 H 127 4.400 4.126 0.274 1 1 1352 . 3 1 1 A 127 127 GLY CA C 127 45.600 45.111 0.489 1 1 1353 . 3 1 1 A 127 127 GLY N N 127 112.300 111.651 0.649 1 1 1354 . 3 1 1 A 128 128 THR H H 128 8.870 8.332 0.538 1 1 1355 . 3 1 1 A 128 128 THR HA H 128 5.270 5.232 0.038 1 1 1360 . 3 1 1 A 128 128 THR C C 128 175.700 173.013 2.687 1 1 1361 . 3 1 1 A 128 128 THR CA C 128 63.500 61.071 2.429 1 1 1362 . 3 1 1 A 128 128 THR CB C 128 69.600 72.488 -2.888 1 1 1364 . 3 1 1 A 128 128 THR N N 128 123.700 116.766 6.934 1 1 1365 . 3 1 1 A 129 129 ASN H H 129 10.060 8.554 1.506 1 1 1366 . 3 1 1 A 129 129 ASN HA H 129 5.070 5.436 -0.366 1 1 1371 . 3 1 1 A 129 129 ASN C C 129 172.700 173.223 -0.523 1 1 1372 . 3 1 1 A 129 129 ASN CA C 129 52.700 52.216 0.484 1 1 1373 . 3 1 1 A 129 129 ASN CB C 129 44.400 42.350 2.050 1 1 1374 . 3 1 1 A 129 129 ASN N N 129 125.700 119.509 6.191 1 1 1376 . 3 1 1 A 130 130 THR H H 130 9.030 8.747 0.283 1 1 1377 . 3 1 1 A 130 130 THR HA H 130 4.790 5.001 -0.211 1 1 1382 . 3 1 1 A 130 130 THR C C 130 172.900 173.453 -0.553 1 1 1383 . 3 1 1 A 130 130 THR CA C 130 61.800 60.913 0.887 1 1 1384 . 3 1 1 A 130 130 THR CB C 130 70.100 72.473 -2.373 1 1 1386 . 3 1 1 A 130 130 THR N N 130 117.800 113.489 4.311 1 1 1387 . 3 1 1 A 131 131 ILE H H 131 9.050 8.324 0.726 1 1 1388 . 3 1 1 A 131 131 ILE HA H 131 4.480 4.371 0.109 1 1 1398 . 3 1 1 A 131 131 ILE CA C 131 58.300 57.084 1.216 1 1 1399 . 3 1 1 A 131 131 ILE CB C 131 39.600 39.794 -0.194 1 1 1403 . 3 1 1 A 131 131 ILE N N 131 128.200 124.690 3.510 1 1 1404 . 3 1 1 A 132 132 PRO HA H 132 4.940 4.509 0.431 1 1 1409 . 3 1 1 A 132 132 PRO C C 132 175.200 175.866 -0.666 1 1 1410 . 3 1 1 A 132 132 PRO CA C 132 62.200 62.060 0.140 1 1 1411 . 3 1 1 A 132 132 PRO CB C 132 32.900 28.719 4.181 1 1 1414 . 3 1 1 A 133 133 PHE H H 133 8.460 7.917 0.543 1 1 1415 . 3 1 1 A 133 133 PHE HA H 133 4.530 4.810 -0.280 1 1 1418 . 3 1 1 A 133 133 PHE C C 133 175.600 176.283 -0.683 1 1 1419 . 3 1 1 A 133 133 PHE CA C 133 57.000 57.758 -0.758 1 1 1420 . 3 1 1 A 133 133 PHE CB C 133 45.000 39.691 5.309 1 1 1424 . 3 1 1 A 133 133 PHE N N 133 117.000 122.720 -5.720 1 1 1425 . 3 1 1 A 134 134 GLN H H 134 8.830 8.494 0.336 1 1 1426 . 3 1 1 A 134 134 GLN HA H 134 5.490 5.426 0.064 1 1 1431 . 3 1 1 A 134 134 GLN C C 134 174.500 175.360 -0.860 1 1 1432 . 3 1 1 A 134 134 GLN CA C 134 54.200 54.438 -0.238 1 1 1433 . 3 1 1 A 134 134 GLN CB C 134 35.000 31.996 3.004 1 1 1435 . 3 1 1 A 134 134 GLN N N 134 117.300 120.747 -3.447 1 1 1437 . 3 1 1 A 135 135 ALA H H 135 9.280 9.316 -0.036 1 1 1438 . 3 1 1 A 135 135 ALA HA H 135 5.620 5.600 0.020 1 1 1442 . 3 1 1 A 135 135 ALA C C 135 174.900 175.643 -0.743 1 1 1443 . 3 1 1 A 135 135 ALA CA C 135 50.500 50.155 0.345 1 1 1444 . 3 1 1 A 135 135 ALA CB C 135 25.000 23.119 1.881 1 1 1445 . 3 1 1 A 135 135 ALA N N 135 121.800 122.667 -0.867 1 1 1446 . 3 1 1 A 136 136 ARG H H 136 8.380 8.290 0.090 1 1 1447 . 3 1 1 A 136 136 ARG HA H 136 4.520 4.873 -0.353 1 1 1453 . 3 1 1 A 136 136 ARG C C 136 173.600 174.476 -0.876 1 1 1454 . 3 1 1 A 136 136 ARG CA C 136 53.900 54.399 -0.499 1 1 1455 . 3 1 1 A 136 136 ARG CB C 136 33.400 33.688 -0.288 1 1 1457 . 3 1 1 A 136 136 ARG N N 136 113.300 116.563 -3.263 1 1 1459 . 3 1 1 A 137 137 TYR H H 137 8.550 8.962 -0.412 1 1 1460 . 3 1 1 A 137 137 TYR HA H 137 5.360 5.018 0.342 1 1 1463 . 3 1 1 A 137 137 TYR C C 137 175.500 175.269 0.231 1 1 1464 . 3 1 1 A 137 137 TYR CA C 137 58.300 58.651 -0.351 1 1 1465 . 3 1 1 A 137 137 TYR CB C 137 39.900 39.510 0.390 1 1 1468 . 3 1 1 A 137 137 TYR N N 137 118.500 120.973 -2.473 1 1 1469 . 3 1 1 A 138 138 PHE H H 138 8.870 9.408 -0.538 1 1 1470 . 3 1 1 A 138 138 PHE HA H 138 4.920 5.299 -0.379 1 1 1474 . 3 1 1 A 138 138 PHE C C 138 173.600 173.785 -0.185 1 1 1475 . 3 1 1 A 138 138 PHE CA C 138 56.400 56.330 0.070 1 1 1476 . 3 1 1 A 138 138 PHE CB C 138 44.100 41.849 2.251 1 1 1480 . 3 1 1 A 138 138 PHE N N 138 122.300 123.437 -1.137 1 1 1481 . 3 1 1 A 139 139 ALA H H 139 8.730 8.596 0.134 1 1 1482 . 3 1 1 A 139 139 ALA HA H 139 5.040 4.699 0.341 1 1 1486 . 3 1 1 A 139 139 ALA C C 139 176.200 178.560 -2.360 1 1 1487 . 3 1 1 A 139 139 ALA CA C 139 51.000 51.306 -0.306 1 1 1488 . 3 1 1 A 139 139 ALA CB C 139 19.700 19.631 0.069 1 1 1489 . 3 1 1 A 139 139 ALA N N 139 131.200 130.262 0.938 1 1 1490 . 3 1 1 A 140 140 THR H H 140 8.230 9.124 -0.894 1 1 1491 . 3 1 1 A 140 140 THR HA H 140 4.260 4.580 -0.320 1 1 1496 . 3 1 1 A 140 140 THR C C 140 173.800 174.011 -0.211 1 1 1497 . 3 1 1 A 140 140 THR CA C 140 60.800 61.288 -0.488 1 1 1498 . 3 1 1 A 140 140 THR CB C 140 67.100 68.982 -1.882 1 1 1500 . 3 1 1 A 140 140 THR N N 140 111.900 112.604 -0.704 1 1 1501 . 3 1 1 A 141 141 GLY H H 141 7.450 7.309 0.141 1 1 1502 . 3 1 1 A 141 141 GLY HA2 H 141 3.620 4.050 -0.430 1 1 1503 . 3 1 1 A 141 141 GLY HA3 H 141 3.710 4.060 -0.350 1 1 1504 . 3 1 1 A 141 141 GLY C C 141 169.500 171.845 -2.345 1 1 1505 . 3 1 1 A 141 141 GLY CA C 141 44.300 45.898 -1.598 1 1 1506 . 3 1 1 A 141 141 GLY N N 141 110.300 109.345 0.955 1 1 1507 . 3 1 1 A 142 142 ALA H H 142 8.280 8.166 0.114 1 1 1508 . 3 1 1 A 142 142 ALA HA H 142 4.260 4.251 0.009 1 1 1512 . 3 1 1 A 142 142 ALA C C 142 177.200 177.027 0.173 1 1 1513 . 3 1 1 A 142 142 ALA CA C 142 52.100 51.925 0.175 1 1 1514 . 3 1 1 A 142 142 ALA CB C 142 17.200 18.826 -1.626 1 1 1515 . 3 1 1 A 142 142 ALA N N 142 121.800 123.825 -2.025 1 1 1516 . 3 1 1 A 143 143 ALA H H 143 8.520 8.268 0.252 1 1 1517 . 3 1 1 A 143 143 ALA HA H 143 4.670 4.489 0.181 1 1 1521 . 3 1 1 A 143 143 ALA C C 143 178.100 177.222 0.878 1 1 1522 . 3 1 1 A 143 143 ALA CA C 143 52.500 52.981 -0.481 1 1 1523 . 3 1 1 A 143 143 ALA CB C 143 21.200 19.036 2.164 1 1 1524 . 3 1 1 A 143 143 ALA N N 143 130.000 125.742 4.258 1 1 1525 . 3 1 1 A 144 144 THR H H 144 7.590 8.338 -0.748 1 1 1526 . 3 1 1 A 144 144 THR HA H 144 4.710 4.773 -0.063 1 1 1531 . 3 1 1 A 144 144 THR CA C 144 58.200 60.349 -2.149 1 1 1532 . 3 1 1 A 144 144 THR CB C 144 68.100 68.840 -0.740 1 1 1534 . 3 1 1 A 144 144 THR N N 144 110.000 116.095 -6.095 1 1 1535 . 3 1 1 A 145 145 PRO HA H 145 4.020 4.345 -0.325 1 1 1542 . 3 1 1 A 145 145 PRO C C 145 176.700 175.778 0.922 1 1 1543 . 3 1 1 A 145 145 PRO CA C 145 62.600 63.010 -0.410 1 1 1544 . 3 1 1 A 145 145 PRO CB C 145 33.000 33.370 -0.370 1 1 1547 . 3 1 1 A 146 146 GLY H H 146 8.850 8.123 0.727 1 1 1548 . 3 1 1 A 146 146 GLY HA2 H 146 3.790 4.221 -0.431 1 1 1549 . 3 1 1 A 146 146 GLY HA3 H 146 4.360 4.227 0.133 1 1 1550 . 3 1 1 A 146 146 GLY C C 146 172.500 171.789 0.711 1 1 1551 . 3 1 1 A 146 146 GLY CA C 146 44.200 45.821 -1.621 1 1 1552 . 3 1 1 A 146 146 GLY N N 146 107.700 109.076 -1.376 1 1 1553 . 3 1 1 A 147 147 ALA H H 147 8.360 8.435 -0.075 1 1 1554 . 3 1 1 A 147 147 ALA HA H 147 4.160 5.142 -0.982 1 1 1558 . 3 1 1 A 147 147 ALA C C 147 177.900 175.404 2.496 1 1 1559 . 3 1 1 A 147 147 ALA CA C 147 54.200 51.039 3.161 1 1 1560 . 3 1 1 A 147 147 ALA CB C 147 19.400 23.544 -4.144 1 1 1561 . 3 1 1 A 147 147 ALA N N 147 122.500 125.061 -2.561 1 1 1562 . 3 1 1 A 148 148 ALA H H 148 8.660 8.436 0.224 1 1 1563 . 3 1 1 A 148 148 ALA HA H 148 4.940 4.783 0.157 1 1 1567 . 3 1 1 A 148 148 ALA C C 148 173.800 175.958 -2.158 1 1 1568 . 3 1 1 A 148 148 ALA CA C 148 51.200 51.392 -0.192 1 1 1569 . 3 1 1 A 148 148 ALA CB C 148 18.300 19.111 -0.811 1 1 1570 . 3 1 1 A 148 148 ALA N N 148 129.300 121.515 7.785 1 1 1571 . 3 1 1 A 149 149 ASN H H 149 8.820 8.933 -0.113 1 1 1572 . 3 1 1 A 149 149 ASN HA H 149 5.640 5.702 -0.062 1 1 1577 . 3 1 1 A 149 149 ASN C C 149 174.400 174.181 0.219 1 1 1578 . 3 1 1 A 149 149 ASN CA C 149 51.300 51.978 -0.678 1 1 1579 . 3 1 1 A 149 149 ASN CB C 149 40.400 42.012 -1.612 1 1 1580 . 3 1 1 A 149 149 ASN N N 149 121.200 120.113 1.087 1 1 1582 . 3 1 1 A 150 150 ALA H H 150 9.100 9.272 -0.172 1 1 1583 . 3 1 1 A 150 150 ALA HA H 150 4.890 4.915 -0.025 1 1 1587 . 3 1 1 A 150 150 ALA C C 150 174.600 174.716 -0.116 1 1 1588 . 3 1 1 A 150 150 ALA CA C 150 52.200 51.500 0.700 1 1 1589 . 3 1 1 A 150 150 ALA CB C 150 25.100 23.981 1.119 1 1 1590 . 3 1 1 A 150 150 ALA N N 150 122.600 121.656 0.944 1 1 1591 . 3 1 1 A 151 151 ASP H H 151 9.010 8.725 0.285 1 1 1592 . 3 1 1 A 151 151 ASP HA H 151 5.870 5.419 0.451 1 1 1595 . 3 1 1 A 151 151 ASP C C 151 174.100 175.763 -1.663 1 1 1596 . 3 1 1 A 151 151 ASP CA C 151 53.400 53.106 0.294 1 1 1597 . 3 1 1 A 151 151 ASP CB C 151 45.300 43.933 1.367 1 1 1598 . 3 1 1 A 151 151 ASP N N 151 120.000 118.902 1.098 1 1 1599 . 3 1 1 A 152 152 ALA H H 152 8.870 9.163 -0.293 1 1 1600 . 3 1 1 A 152 152 ALA HA H 152 5.160 4.969 0.191 1 1 1604 . 3 1 1 A 152 152 ALA C C 152 176.400 177.201 -0.801 1 1 1605 . 3 1 1 A 152 152 ALA CA C 152 51.200 51.758 -0.558 1 1 1606 . 3 1 1 A 152 152 ALA CB C 152 23.400 20.766 2.634 1 1 1607 . 3 1 1 A 152 152 ALA N N 152 120.700 128.272 -7.572 1 1 1608 . 3 1 1 A 153 153 THR H H 153 8.830 8.415 0.415 1 1 1609 . 3 1 1 A 153 153 THR HA H 153 5.350 5.417 -0.067 1 1 1614 . 3 1 1 A 153 153 THR C C 153 173.900 174.020 -0.120 1 1 1615 . 3 1 1 A 153 153 THR CA C 153 60.100 59.333 0.767 1 1 1616 . 3 1 1 A 153 153 THR CB C 153 71.900 71.890 0.010 1 1 1618 . 3 1 1 A 153 153 THR N N 153 111.300 109.157 2.143 1 1 1619 . 3 1 1 A 154 154 PHE H H 154 8.460 8.675 -0.215 1 1 1620 . 3 1 1 A 154 154 PHE HA H 154 5.760 5.573 0.187 1 1 1621 . 3 1 1 A 154 154 PHE C C 154 174.500 173.611 0.889 1 1 1622 . 3 1 1 A 154 154 PHE CA C 154 55.600 54.664 0.936 1 1 1623 . 3 1 1 A 154 154 PHE CB C 154 42.300 41.910 0.390 1 1 1625 . 3 1 1 A 154 154 PHE N N 154 114.500 117.627 -3.127 1 1 1626 . 3 1 1 A 155 155 LYS H H 155 8.780 8.877 -0.097 1 1 1627 . 3 1 1 A 155 155 LYS HA H 155 4.810 4.660 0.150 1 1 1632 . 3 1 1 A 155 155 LYS C C 155 174.800 175.552 -0.752 1 1 1633 . 3 1 1 A 155 155 LYS CA C 155 54.600 54.336 0.264 1 1 1634 . 3 1 1 A 155 155 LYS CB C 155 36.800 36.102 0.698 1 1 1638 . 3 1 1 A 155 155 LYS N N 155 120.700 118.935 1.765 1 1 1639 . 3 1 1 A 156 156 VAL H H 156 8.690 8.944 -0.254 1 1 1640 . 3 1 1 A 156 156 VAL HA H 156 4.840 4.923 -0.083 1 1 1648 . 3 1 1 A 156 156 VAL C C 156 173.200 174.205 -1.005 1 1 1649 . 3 1 1 A 156 156 VAL CA C 156 60.900 60.674 0.226 1 1 1650 . 3 1 1 A 156 156 VAL CB C 156 34.100 34.803 -0.703 1 1 1653 . 3 1 1 A 156 156 VAL N N 156 120.300 120.445 -0.145 1 1 1654 . 3 1 1 A 157 157 GLN H H 157 9.040 9.120 -0.080 1 1 1655 . 3 1 1 A 157 157 GLN HA H 157 5.130 4.934 0.196 1 1 1662 . 3 1 1 A 157 157 GLN C C 157 174.300 174.303 -0.003 1 1 1663 . 3 1 1 A 157 157 GLN CA C 157 53.500 54.127 -0.627 1 1 1664 . 3 1 1 A 157 157 GLN CB C 157 34.500 29.477 5.023 1 1 1666 . 3 1 1 A 157 157 GLN N N 157 126.200 127.409 -1.209 1 1 1668 . 3 1 1 A 158 158 TYR H H 158 9.130 8.522 0.608 1 1 1669 . 3 1 1 A 158 158 TYR HA H 158 5.310 4.833 0.477 1 1 1672 . 3 1 1 A 158 158 TYR C C 158 175.800 175.771 0.029 1 1 1673 . 3 1 1 A 158 158 TYR CA C 158 56.800 59.283 -2.483 1 1 1674 . 3 1 1 A 158 158 TYR CB C 158 40.600 39.675 0.925 1 1 1677 . 3 1 1 A 158 158 TYR N N 158 126.400 126.632 -0.232 1 1 1678 . 3 1 1 A 159 159 GLN H H 159 8.580 8.657 -0.077 1 1 1679 . 3 1 1 A 159 159 GLN HA H 159 4.890 4.871 0.019 1 1 1686 . 3 1 1 A 159 159 GLN C C 159 175.800 174.181 1.619 1 1 1687 . 3 1 1 A 159 159 GLN CA C 159 54.800 54.455 0.345 1 1 1688 . 3 1 1 A 159 159 GLN CB C 159 32.500 32.014 0.486 1 1 1690 . 3 1 1 A 159 159 GLN N N 159 119.700 119.871 -0.171 1 1 1692 . 3 1 1 A 160 160 GLY H H 160 8.740 8.152 0.588 1 1 1693 . 3 1 1 A 160 160 GLY HA2 H 160 4.120 4.035 0.085 1 1 1694 . 3 1 1 A 160 160 GLY HA3 H 160 4.180 4.041 0.139 1 1 1695 . 3 1 1 A 160 160 GLY C C 160 174.800 174.095 0.705 1 1 1696 . 3 1 1 A 160 160 GLY CA C 160 45.400 45.524 -0.124 1 1 1697 . 3 1 1 A 160 160 GLY N N 160 109.800 106.933 2.867 1 1 1698 . 3 1 1 A 161 161 GLY H H 161 8.560 8.473 0.087 1 1 1699 . 3 1 1 A 161 161 GLY C C 161 175.300 175.804 -0.504 1 1 1700 . 3 1 1 A 161 161 GLY CA C 161 45.100 47.318 -2.218 1 1 1701 . 3 1 1 A 161 161 GLY N N 161 109.200 108.670 0.530 1 1 1702 . 3 1 1 A 162 162 GLY H H 162 8.480 8.769 -0.289 1 1 1703 . 3 1 1 A 162 162 GLY HA2 H 162 4.040 3.900 0.140 1 1 1704 . 3 1 1 A 162 162 GLY HA3 H 162 3.910 3.901 0.009 1 1 1705 . 3 1 1 A 162 162 GLY C C 162 175.400 174.671 0.729 1 1 1706 . 3 1 1 A 162 162 GLY CA C 162 45.800 44.774 1.026 1 1 1707 . 3 1 1 A 162 162 GLY N N 162 108.700 113.523 -4.823 1 1 1708 . 3 1 1 A 163 163 GLY H H 163 8.500 7.921 0.579 1 1 1709 . 3 1 1 A 163 163 GLY HA2 H 163 3.960 4.150 -0.190 1 1 1710 . 3 1 1 A 163 163 GLY HA3 H 163 3.980 4.150 -0.170 1 1 1711 . 3 1 1 A 163 163 GLY C C 163 175.400 173.676 1.724 1 1 1712 . 3 1 1 A 163 163 GLY CA C 163 45.700 45.581 0.119 1 1 1713 . 3 1 1 A 163 163 GLY N N 163 109.000 111.827 -2.827 1 1 1714 . 3 1 1 A 164 164 GLY H H 164 8.290 7.529 0.761 1 1 1715 . 3 1 1 A 164 164 GLY HA2 H 164 3.890 4.090 -0.200 1 1 1716 . 3 1 1 A 164 164 GLY HA3 H 164 3.980 4.091 -0.111 1 1 1717 . 3 1 1 A 164 164 GLY C C 164 175.100 174.147 0.953 1 1 1718 . 3 1 1 A 164 164 GLY CA C 164 45.700 45.826 -0.126 1 1 1719 . 3 1 1 A 164 164 GLY N N 164 109.100 107.497 1.603 1 1 1720 . 3 1 1 A 165 165 GLY H H 165 8.210 8.606 -0.396 1 1 1721 . 3 1 1 A 165 165 GLY HA2 H 165 3.950 3.912 0.038 1 1 1722 . 3 1 1 A 165 165 GLY HA3 H 165 3.920 3.925 -0.005 1 1 1723 . 3 1 1 A 165 165 GLY C C 165 173.900 174.238 -0.338 1 1 1724 . 3 1 1 A 165 165 GLY CA C 165 45.200 46.864 -1.664 1 1 1725 . 3 1 1 A 165 165 GLY N N 165 108.500 114.284 -5.784 1 1 1726 . 3 1 1 A 166 166 ALA H H 166 8.110 7.645 0.465 1 1 1727 . 3 1 1 A 166 166 ALA HA H 166 4.370 5.048 -0.678 1 1 1731 . 3 1 1 A 166 166 ALA C C 166 177.100 175.425 1.675 1 1 1732 . 3 1 1 A 166 166 ALA CA C 166 52.100 51.441 0.659 1 1 1733 . 3 1 1 A 166 166 ALA CB C 166 19.800 21.836 -2.036 1 1 1734 . 3 1 1 A 166 166 ALA N N 166 123.800 121.380 2.420 1 1 1735 . 3 1 1 A 167 167 ALA H H 167 8.350 8.592 -0.242 1 1 1736 . 3 1 1 A 167 167 ALA HA H 167 4.840 5.138 -0.298 1 1 1740 . 3 1 1 A 167 167 ALA C C 167 177.800 175.266 2.534 1 1 1741 . 3 1 1 A 167 167 ALA CA C 167 51.900 51.329 0.571 1 1 1742 . 3 1 1 A 167 167 ALA CB C 167 20.000 23.766 -3.766 1 1 1743 . 3 1 1 A 167 167 ALA N N 167 123.800 122.990 0.810 1 1 1744 . 3 1 1 A 168 168 THR H H 168 8.580 8.947 -0.367 1 1 1745 . 3 1 1 A 168 168 THR HA H 168 4.600 5.022 -0.422 1 1 1750 . 3 1 1 A 168 168 THR C C 168 173.300 173.370 -0.070 1 1 1751 . 3 1 1 A 168 168 THR CA C 168 61.900 61.774 0.126 1 1 1752 . 3 1 1 A 168 168 THR CB C 168 71.300 71.115 0.185 1 1 1754 . 3 1 1 A 168 168 THR N N 168 117.900 114.830 3.070 1 1 1755 . 3 1 1 A 169 169 THR H H 169 8.710 8.785 -0.075 1 1 1756 . 3 1 1 A 169 169 THR HA H 169 5.300 5.241 0.059 1 1 1761 . 3 1 1 A 169 169 THR C C 169 174.300 173.862 0.438 1 1 1762 . 3 1 1 A 169 169 THR CA C 169 61.700 61.904 -0.204 1 1 1763 . 3 1 1 A 169 169 THR CB C 169 70.000 69.463 0.537 1 1 1765 . 3 1 1 A 169 169 THR N N 169 122.400 123.514 -1.114 1 1 1766 . 3 1 1 A 170 170 VAL H H 170 9.280 9.114 0.166 1 1 1767 . 3 1 1 A 170 170 VAL HA H 170 4.770 4.891 -0.121 1 1 1775 . 3 1 1 A 170 170 VAL C C 170 175.300 174.334 0.966 1 1 1776 . 3 1 1 A 170 170 VAL CA C 170 59.000 59.041 -0.041 1 1 1777 . 3 1 1 A 170 170 VAL CB C 170 35.500 35.596 -0.096 1 1 1780 . 3 1 1 A 170 170 VAL N N 170 120.400 119.679 0.721 1 1 1781 . 3 1 1 A 171 171 ASN H H 171 8.770 8.641 0.129 1 1 1782 . 3 1 1 A 171 171 ASN HA H 171 4.470 4.522 -0.052 1 1 1785 . 3 1 1 A 171 171 ASN C C 171 174.900 174.961 -0.061 1 1 1786 . 3 1 1 A 171 171 ASN CA C 171 54.700 53.938 0.762 1 1 1787 . 3 1 1 A 171 171 ASN CB C 171 38.200 39.743 -1.543 1 1 1788 . 3 1 1 A 171 171 ASN N N 171 121.100 122.320 -1.220 1 1 1790 . 3 1 1 A 172 172 GLY H H 172 8.390 7.587 0.803 1 1 1791 . 3 1 1 A 172 172 GLY HA2 H 172 2.980 2.759 0.221 1 1 1792 . 3 1 1 A 172 172 GLY HA3 H 172 3.970 3.831 0.139 1 1 1793 . 3 1 1 A 172 172 GLY C C 172 171.500 173.851 -2.351 1 1 1794 . 3 1 1 A 172 172 GLY CA C 172 46.000 45.289 0.711 1 1 1795 . 3 1 1 A 172 172 GLY N N 172 113.000 109.710 3.290 1 1 1796 . 3 1 1 A 173 173 GLY H H 173 5.960 6.014 -0.054 1 1 1797 . 3 1 1 A 173 173 GLY HA2 H 173 3.790 4.067 -0.277 1 1 1798 . 3 1 1 A 173 173 GLY HA3 H 173 4.110 4.134 -0.024 1 1 1799 . 3 1 1 A 173 173 GLY C C 173 172.000 171.265 0.735 1 1 1800 . 3 1 1 A 173 173 GLY CA C 173 46.400 46.068 0.332 1 1 1801 . 3 1 1 A 173 173 GLY N N 173 106.500 103.396 3.104 1 1 1802 . 3 1 1 A 174 174 THR H H 174 8.600 8.593 0.007 1 1 1803 . 3 1 1 A 174 174 THR HA H 174 4.890 4.908 -0.018 1 1 1808 . 3 1 1 A 174 174 THR C C 174 172.300 173.049 -0.749 1 1 1809 . 3 1 1 A 174 174 THR CA C 174 62.000 61.130 0.870 1 1 1810 . 3 1 1 A 174 174 THR CB C 174 71.400 70.409 0.991 1 1 1812 . 3 1 1 A 174 174 THR N N 174 118.800 116.301 2.499 1 1 1813 . 3 1 1 A 175 175 VAL H H 175 9.140 8.655 0.485 1 1 1814 . 3 1 1 A 175 175 VAL HA H 175 4.150 4.518 -0.368 1 1 1822 . 3 1 1 A 175 175 VAL C C 175 172.500 174.594 -2.094 1 1 1823 . 3 1 1 A 175 175 VAL CA C 175 60.400 61.389 -0.989 1 1 1824 . 3 1 1 A 175 175 VAL CB C 175 33.800 31.638 2.162 1 1 1827 . 3 1 1 A 175 175 VAL N N 175 124.600 127.691 -3.091 1 1 1828 . 3 1 1 A 176 176 HIS H H 176 8.470 8.958 -0.488 1 1 1829 . 3 1 1 A 176 176 HIS HA H 176 5.170 4.839 0.331 1 1 1834 . 3 1 1 A 176 176 HIS C C 176 173.300 174.330 -1.030 1 1 1835 . 3 1 1 A 176 176 HIS CA C 176 53.000 54.703 -1.703 1 1 1836 . 3 1 1 A 176 176 HIS CB C 176 28.700 28.900 -0.200 1 1 1839 . 3 1 1 A 176 176 HIS N N 176 123.100 126.238 -3.138 1 1 1840 . 3 1 1 A 177 177 PHE H H 177 9.650 9.057 0.593 1 1 1841 . 3 1 1 A 177 177 PHE HA H 177 5.160 4.822 0.338 1 1 1845 . 3 1 1 A 177 177 PHE C C 177 176.600 176.128 0.472 1 1 1846 . 3 1 1 A 177 177 PHE CA C 177 57.500 57.980 -0.480 1 1 1847 . 3 1 1 A 177 177 PHE CB C 177 39.600 39.651 -0.051 1 1 1851 . 3 1 1 A 177 177 PHE N N 177 123.700 124.176 -0.476 1 1 1852 . 3 1 1 A 178 178 LYS H H 178 8.860 8.948 -0.088 1 1 1853 . 3 1 1 A 178 178 LYS HA H 178 5.600 5.290 0.310 1 1 1862 . 3 1 1 A 178 178 LYS C C 178 174.700 175.547 -0.847 1 1 1863 . 3 1 1 A 178 178 LYS CA C 178 54.200 54.815 -0.615 1 1 1864 . 3 1 1 A 178 178 LYS CB C 178 37.000 36.271 0.729 1 1 1868 . 3 1 1 A 178 178 LYS N N 178 124.000 122.398 1.602 1 1 1869 . 3 1 1 A 179 179 GLY H H 179 7.970 8.275 -0.305 1 1 1870 . 3 1 1 A 179 179 GLY HA2 H 179 4.010 4.263 -0.253 1 1 1871 . 3 1 1 A 179 179 GLY HA3 H 179 5.040 4.393 0.647 1 1 1872 . 3 1 1 A 179 179 GLY C C 179 172.900 171.309 1.591 1 1 1873 . 3 1 1 A 179 179 GLY CA C 179 46.600 44.694 1.906 1 1 1874 . 3 1 1 A 179 179 GLY N N 179 110.200 108.488 1.712 1 1 1875 . 3 1 1 A 180 180 GLU H H 180 8.470 8.379 0.091 1 1 1876 . 3 1 1 A 180 180 GLU HA H 180 4.660 4.859 -0.199 1 1 1879 . 3 1 1 A 180 180 GLU C C 180 173.100 173.557 -0.457 1 1 1880 . 3 1 1 A 180 180 GLU CA C 180 55.600 55.513 0.087 1 1 1881 . 3 1 1 A 180 180 GLU CB C 180 34.200 33.641 0.559 1 1 1883 . 3 1 1 A 180 180 GLU N N 180 117.000 120.041 -3.041 1 1 1884 . 3 1 1 A 181 181 VAL H H 181 8.580 8.419 0.161 1 1 1885 . 3 1 1 A 181 181 VAL HA H 181 4.970 4.723 0.247 1 1 1893 . 3 1 1 A 181 181 VAL C C 181 177.100 175.521 1.579 1 1 1894 . 3 1 1 A 181 181 VAL CA C 181 60.200 61.105 -0.905 1 1 1895 . 3 1 1 A 181 181 VAL CB C 181 31.800 33.373 -1.573 1 1 1898 . 3 1 1 A 181 181 VAL N N 181 124.000 122.936 1.064 1 1 1899 . 3 1 1 A 182 182 VAL H H 182 9.100 9.219 -0.119 1 1 1900 . 3 1 1 A 182 182 VAL HA H 182 4.730 4.756 -0.026 1 1 1908 . 3 1 1 A 182 182 VAL C C 182 175.000 175.684 -0.684 1 1 1909 . 3 1 1 A 182 182 VAL CA C 182 59.100 59.390 -0.290 1 1 1910 . 3 1 1 A 182 182 VAL CB C 182 35.000 34.035 0.965 1 1 1913 . 3 1 1 A 182 182 VAL N N 182 122.200 122.806 -0.606 1 1 1914 . 3 1 1 A 183 183 ASN H H 183 8.960 8.776 0.184 1 1 1915 . 3 1 1 A 183 183 ASN HA H 183 4.870 4.868 0.002 1 1 1920 . 3 1 1 A 183 183 ASN C C 183 174.300 174.779 -0.479 1 1 1921 . 3 1 1 A 183 183 ASN CA C 183 53.400 52.263 1.137 1 1 1922 . 3 1 1 A 183 183 ASN CB C 183 38.800 38.487 0.313 1 1 1923 . 3 1 1 A 183 183 ASN N N 183 121.300 120.914 0.386 1 1 1 . 4 1 1 A 3 3 THR H H 3 8.300 8.642 -0.342 1 1 2 . 4 1 1 A 3 3 THR HA H 3 4.410 5.064 -0.654 1 1 7 . 4 1 1 A 3 3 THR C C 3 174.700 173.247 1.453 1 1 8 . 4 1 1 A 3 3 THR CA C 3 61.600 60.141 1.459 1 1 9 . 4 1 1 A 3 3 THR CB C 3 69.900 71.214 -1.314 1 1 11 . 4 1 1 A 3 3 THR N N 3 114.000 112.685 1.315 1 1 12 . 4 1 1 A 4 4 THR H H 4 8.230 8.658 -0.428 1 1 13 . 4 1 1 A 4 4 THR HA H 4 4.420 4.704 -0.284 1 1 18 . 4 1 1 A 4 4 THR C C 4 174.600 173.997 0.603 1 1 19 . 4 1 1 A 4 4 THR CA C 4 61.600 61.338 0.262 1 1 20 . 4 1 1 A 4 4 THR CB C 4 70.000 69.582 0.418 1 1 22 . 4 1 1 A 4 4 THR N N 4 116.800 119.578 -2.778 1 1 23 . 4 1 1 A 5 5 VAL H H 5 8.280 7.350 0.930 1 1 24 . 4 1 1 A 5 5 VAL HA H 5 4.130 3.941 0.189 1 1 26 . 4 1 1 A 5 5 VAL C C 5 176.100 175.129 0.971 1 1 27 . 4 1 1 A 5 5 VAL CA C 5 62.400 62.807 -0.407 1 1 28 . 4 1 1 A 5 5 VAL CB C 5 32.800 32.139 0.661 1 1 30 . 4 1 1 A 5 5 VAL N N 5 122.500 122.957 -0.457 1 1 31 . 4 1 1 A 6 6 ASN H H 6 8.610 8.753 -0.143 1 1 32 . 4 1 1 A 6 6 ASN HA H 6 4.710 5.461 -0.751 1 1 37 . 4 1 1 A 6 6 ASN C C 6 175.800 173.949 1.851 1 1 38 . 4 1 1 A 6 6 ASN CA C 6 53.400 52.150 1.250 1 1 39 . 4 1 1 A 6 6 ASN CB C 6 38.900 42.491 -3.591 1 1 40 . 4 1 1 A 6 6 ASN N N 6 122.600 125.794 -3.194 1 1 42 . 4 1 1 A 7 7 GLY H H 7 8.450 8.436 0.014 1 1 43 . 4 1 1 A 7 7 GLY C C 7 174.800 174.267 0.533 1 1 44 . 4 1 1 A 7 7 GLY CA C 7 45.600 44.419 1.181 1 1 45 . 4 1 1 A 7 7 GLY N N 7 109.700 110.112 -0.412 1 1 46 . 4 1 1 A 8 8 GLY H H 8 8.280 8.878 -0.598 1 1 47 . 4 1 1 A 8 8 GLY HA2 H 8 3.960 3.920 0.040 1 1 48 . 4 1 1 A 8 8 GLY HA3 H 8 4.030 3.942 0.088 1 1 49 . 4 1 1 A 8 8 GLY C C 8 174.200 174.227 -0.027 1 1 50 . 4 1 1 A 8 8 GLY CA C 8 45.200 46.672 -1.472 1 1 51 . 4 1 1 A 8 8 GLY N N 8 108.500 110.984 -2.484 1 1 52 . 4 1 1 A 9 9 THR H H 9 8.100 7.891 0.209 1 1 53 . 4 1 1 A 9 9 THR HA H 9 4.320 4.872 -0.552 1 1 58 . 4 1 1 A 9 9 THR C C 9 174.500 173.792 0.708 1 1 59 . 4 1 1 A 9 9 THR CA C 9 62.000 59.943 2.057 1 1 60 . 4 1 1 A 9 9 THR CB C 9 69.900 71.460 -1.560 1 1 62 . 4 1 1 A 9 9 THR N N 9 114.300 114.619 -0.319 1 1 63 . 4 1 1 A 10 10 VAL H H 10 8.170 9.053 -0.883 1 1 64 . 4 1 1 A 10 10 VAL HA H 10 4.040 3.899 0.141 1 1 72 . 4 1 1 A 10 10 VAL C C 10 175.600 175.288 0.312 1 1 73 . 4 1 1 A 10 10 VAL CA C 10 62.200 62.957 -0.757 1 1 74 . 4 1 1 A 10 10 VAL CB C 10 32.800 30.279 2.521 1 1 77 . 4 1 1 A 10 10 VAL N N 10 122.900 128.310 -5.410 1 1 78 . 4 1 1 A 11 11 HIS H H 11 8.420 8.529 -0.109 1 1 79 . 4 1 1 A 11 11 HIS HA H 11 4.670 4.829 -0.159 1 1 84 . 4 1 1 A 11 11 HIS CA C 11 55.700 55.873 -0.173 1 1 85 . 4 1 1 A 11 11 HIS CB C 11 30.500 29.922 0.578 1 1 88 . 4 1 1 A 11 11 HIS N N 11 123.300 128.325 -5.025 1 1 89 . 4 1 1 A 12 12 PHE H H 12 8.310 8.800 -0.490 1 1 90 . 4 1 1 A 12 12 PHE HA H 12 4.620 4.650 -0.030 1 1 94 . 4 1 1 A 12 12 PHE C C 12 175.500 175.621 -0.121 1 1 95 . 4 1 1 A 12 12 PHE CA C 12 57.700 57.084 0.616 1 1 96 . 4 1 1 A 12 12 PHE CB C 12 39.900 39.947 -0.047 1 1 100 . 4 1 1 A 12 12 PHE N N 12 122.300 121.584 0.716 1 1 101 . 4 1 1 A 13 13 LYS H H 13 8.450 8.157 0.293 1 1 102 . 4 1 1 A 13 13 LYS HA H 13 4.230 3.914 0.316 1 1 107 . 4 1 1 A 13 13 LYS C C 13 176.600 176.142 0.458 1 1 108 . 4 1 1 A 13 13 LYS CA C 13 56.500 58.369 -1.869 1 1 109 . 4 1 1 A 13 13 LYS CB C 13 32.900 31.246 1.654 1 1 113 . 4 1 1 A 13 13 LYS N N 13 124.300 117.032 7.268 1 1 114 . 4 1 1 A 14 14 GLY H H 14 7.940 7.954 -0.014 1 1 115 . 4 1 1 A 14 14 GLY HA2 H 14 3.860 4.067 -0.207 1 1 116 . 4 1 1 A 14 14 GLY HA3 H 14 3.920 4.118 -0.198 1 1 117 . 4 1 1 A 14 14 GLY C C 14 173.800 174.089 -0.289 1 1 118 . 4 1 1 A 14 14 GLY CA C 14 45.200 45.710 -0.510 1 1 119 . 4 1 1 A 14 14 GLY N N 14 109.800 107.462 2.338 1 1 120 . 4 1 1 A 15 15 GLU H H 15 8.220 8.322 -0.102 1 1 121 . 4 1 1 A 15 15 GLU HA H 15 4.290 4.616 -0.326 1 1 126 . 4 1 1 A 15 15 GLU C C 15 176.400 175.571 0.829 1 1 127 . 4 1 1 A 15 15 GLU CA C 15 56.500 56.071 0.429 1 1 128 . 4 1 1 A 15 15 GLU CB C 15 30.500 31.281 -0.781 1 1 130 . 4 1 1 A 15 15 GLU N N 15 120.600 118.065 2.535 1 1 131 . 4 1 1 A 16 16 VAL H H 16 8.300 8.607 -0.307 1 1 132 . 4 1 1 A 16 16 VAL HA H 16 4.110 3.498 0.612 1 1 140 . 4 1 1 A 16 16 VAL C C 16 176.000 175.473 0.527 1 1 141 . 4 1 1 A 16 16 VAL CA C 16 62.300 62.757 -0.457 1 1 142 . 4 1 1 A 16 16 VAL CB C 16 32.900 30.168 2.732 1 1 145 . 4 1 1 A 16 16 VAL N N 16 122.100 118.643 3.457 1 1 146 . 4 1 1 A 17 17 VAL H H 17 8.290 7.661 0.629 1 1 147 . 4 1 1 A 17 17 VAL HA H 17 4.110 4.096 0.014 1 1 149 . 4 1 1 A 17 17 VAL C C 17 175.500 174.746 0.754 1 1 150 . 4 1 1 A 17 17 VAL CA C 17 62.000 61.935 0.065 1 1 151 . 4 1 1 A 17 17 VAL CB C 17 32.800 30.488 2.312 1 1 153 . 4 1 1 A 17 17 VAL N N 17 124.800 120.889 3.911 1 1 154 . 4 1 1 A 18 18 ASN H H 18 8.470 7.870 0.600 1 1 155 . 4 1 1 A 18 18 ASN HA H 18 4.710 5.080 -0.370 1 1 160 . 4 1 1 A 18 18 ASN C C 18 174.100 174.100 0.000 1 1 161 . 4 1 1 A 18 18 ASN CA C 18 52.800 52.151 0.649 1 1 162 . 4 1 1 A 18 18 ASN CB C 18 39.000 40.862 -1.862 1 1 163 . 4 1 1 A 18 18 ASN N N 18 123.200 119.007 4.193 1 1 165 . 4 1 1 A 19 19 ALA H H 19 8.140 8.178 -0.038 1 1 166 . 4 1 1 A 19 19 ALA HA H 19 4.080 4.442 -0.362 1 1 170 . 4 1 1 A 19 19 ALA C C 19 178.000 177.385 0.615 1 1 171 . 4 1 1 A 19 19 ALA CA C 19 51.700 50.748 0.952 1 1 172 . 4 1 1 A 19 19 ALA CB C 19 20.300 19.710 0.590 1 1 173 . 4 1 1 A 19 19 ALA N N 19 123.400 126.612 -3.212 1 1 174 . 4 1 1 A 20 20 ALA H H 20 6.480 7.721 -1.241 1 1 175 . 4 1 1 A 20 20 ALA HA H 20 3.710 3.616 0.094 1 1 179 . 4 1 1 A 20 20 ALA C C 20 176.000 176.297 -0.297 1 1 180 . 4 1 1 A 20 20 ALA CA C 20 54.700 54.527 0.173 1 1 181 . 4 1 1 A 20 20 ALA CB C 20 21.000 16.825 4.175 1 1 182 . 4 1 1 A 20 20 ALA N N 20 120.900 115.503 5.397 1 1 183 . 4 1 1 A 21 21 CYS H H 21 6.330 7.989 -1.659 1 1 184 . 4 1 1 A 21 21 CYS HA H 21 4.780 4.910 -0.130 1 1 187 . 4 1 1 A 21 21 CYS C C 21 172.500 172.519 -0.019 1 1 188 . 4 1 1 A 21 21 CYS CA C 21 53.100 55.297 -2.197 1 1 189 . 4 1 1 A 21 21 CYS CB C 21 50.500 45.716 4.784 1 1 190 . 4 1 1 A 21 21 CYS N N 21 107.800 113.948 -6.148 1 1 191 . 4 1 1 A 22 22 ALA H H 22 8.910 9.322 -0.412 1 1 192 . 4 1 1 A 22 22 ALA HA H 22 4.770 4.861 -0.091 1 1 196 . 4 1 1 A 22 22 ALA C C 22 176.800 176.900 -0.100 1 1 197 . 4 1 1 A 22 22 ALA CA C 22 50.600 50.608 -0.008 1 1 198 . 4 1 1 A 22 22 ALA CB C 22 21.600 20.228 1.372 1 1 199 . 4 1 1 A 22 22 ALA N N 22 123.900 124.679 -0.779 1 1 200 . 4 1 1 A 23 23 VAL H H 23 8.820 8.625 0.195 1 1 201 . 4 1 1 A 23 23 VAL HA H 23 4.100 4.230 -0.130 1 1 209 . 4 1 1 A 23 23 VAL C C 23 176.500 175.379 1.121 1 1 210 . 4 1 1 A 23 23 VAL CA C 23 63.700 62.856 0.844 1 1 211 . 4 1 1 A 23 23 VAL CB C 23 31.500 32.972 -1.472 1 1 214 . 4 1 1 A 23 23 VAL N N 23 123.600 126.433 -2.833 1 1 215 . 4 1 1 A 24 24 ASP H H 24 8.660 8.821 -0.161 1 1 216 . 4 1 1 A 24 24 ASP HA H 24 4.310 4.539 -0.229 1 1 219 . 4 1 1 A 24 24 ASP C C 24 177.600 177.521 0.079 1 1 220 . 4 1 1 A 24 24 ASP CA C 24 56.100 54.646 1.454 1 1 221 . 4 1 1 A 24 24 ASP CB C 24 44.700 42.908 1.792 1 1 222 . 4 1 1 A 24 24 ASP N N 24 128.000 127.606 0.394 1 1 223 . 4 1 1 A 25 25 ALA H H 25 8.870 8.962 -0.092 1 1 224 . 4 1 1 A 25 25 ALA HA H 25 4.150 3.999 0.151 1 1 228 . 4 1 1 A 25 25 ALA C C 25 180.200 179.333 0.867 1 1 229 . 4 1 1 A 25 25 ALA CA C 25 55.800 55.266 0.534 1 1 230 . 4 1 1 A 25 25 ALA CB C 25 18.700 18.155 0.545 1 1 231 . 4 1 1 A 25 25 ALA N N 25 127.900 127.482 0.418 1 1 232 . 4 1 1 A 26 26 GLY H H 26 8.700 8.700 0.000 1 1 233 . 4 1 1 A 26 26 GLY HA2 H 26 4.170 4.012 0.158 1 1 234 . 4 1 1 A 26 26 GLY HA3 H 26 3.850 4.013 -0.163 1 1 235 . 4 1 1 A 26 26 GLY C C 26 175.100 174.461 0.639 1 1 236 . 4 1 1 A 26 26 GLY CA C 26 46.200 46.165 0.035 1 1 237 . 4 1 1 A 26 26 GLY N N 26 105.300 105.721 -0.421 1 1 238 . 4 1 1 A 27 27 SER H H 27 8.300 7.907 0.393 1 1 239 . 4 1 1 A 27 27 SER HA H 27 4.910 4.746 0.164 1 1 242 . 4 1 1 A 27 27 SER C C 27 174.600 174.948 -0.348 1 1 243 . 4 1 1 A 27 27 SER CA C 27 59.300 58.797 0.503 1 1 244 . 4 1 1 A 27 27 SER CB C 27 65.700 65.621 0.079 1 1 245 . 4 1 1 A 27 27 SER N N 27 113.400 113.420 -0.020 1 1 246 . 4 1 1 A 28 28 VAL H H 28 7.290 8.238 -0.948 1 1 247 . 4 1 1 A 28 28 VAL HA H 28 4.070 4.065 0.005 1 1 255 . 4 1 1 A 28 28 VAL C C 28 176.300 176.061 0.239 1 1 256 . 4 1 1 A 28 28 VAL CA C 28 64.700 65.027 -0.327 1 1 257 . 4 1 1 A 28 28 VAL CB C 28 32.700 32.032 0.668 1 1 260 . 4 1 1 A 28 28 VAL N N 28 119.000 121.215 -2.215 1 1 261 . 4 1 1 A 29 29 ASP H H 29 7.910 8.095 -0.185 1 1 262 . 4 1 1 A 29 29 ASP HA H 29 5.310 4.982 0.328 1 1 265 . 4 1 1 A 29 29 ASP C C 29 175.000 174.794 0.206 1 1 266 . 4 1 1 A 29 29 ASP CA C 29 54.500 53.133 1.367 1 1 267 . 4 1 1 A 29 29 ASP CB C 29 42.700 40.914 1.786 1 1 268 . 4 1 1 A 29 29 ASP N N 29 123.100 121.100 2.000 1 1 269 . 4 1 1 A 30 30 GLN H H 30 7.680 8.027 -0.347 1 1 270 . 4 1 1 A 30 30 GLN HA H 30 4.840 5.187 -0.347 1 1 275 . 4 1 1 A 30 30 GLN C C 30 173.900 174.516 -0.616 1 1 276 . 4 1 1 A 30 30 GLN CA C 30 55.000 54.554 0.446 1 1 277 . 4 1 1 A 30 30 GLN CB C 30 32.400 31.215 1.185 1 1 279 . 4 1 1 A 30 30 GLN N N 30 119.700 119.947 -0.247 1 1 281 . 4 1 1 A 31 31 THR H H 31 8.960 8.937 0.023 1 1 282 . 4 1 1 A 31 31 THR HA H 31 5.160 4.945 0.215 1 1 287 . 4 1 1 A 31 31 THR C C 31 173.600 173.805 -0.205 1 1 288 . 4 1 1 A 31 31 THR CA C 31 62.000 62.061 -0.061 1 1 289 . 4 1 1 A 31 31 THR CB C 31 70.300 69.065 1.235 1 1 291 . 4 1 1 A 31 31 THR N N 31 118.900 118.742 0.158 1 1 292 . 4 1 1 A 32 32 VAL H H 32 9.210 8.444 0.766 1 1 293 . 4 1 1 A 32 32 VAL HA H 32 4.070 4.249 -0.179 1 1 301 . 4 1 1 A 32 32 VAL C C 32 174.400 175.228 -0.828 1 1 302 . 4 1 1 A 32 32 VAL CA C 32 61.200 62.678 -1.478 1 1 303 . 4 1 1 A 32 32 VAL CB C 32 33.600 30.917 2.683 1 1 306 . 4 1 1 A 32 32 VAL N N 32 131.300 127.731 3.569 1 1 307 . 4 1 1 A 33 33 GLN H H 33 8.890 8.649 0.241 1 1 308 . 4 1 1 A 33 33 GLN HA H 33 4.760 4.586 0.174 1 1 315 . 4 1 1 A 33 33 GLN C C 33 175.900 175.686 0.214 1 1 316 . 4 1 1 A 33 33 GLN CA C 33 54.400 54.573 -0.173 1 1 317 . 4 1 1 A 33 33 GLN CB C 33 27.500 27.630 -0.130 1 1 319 . 4 1 1 A 33 33 GLN N N 33 127.200 128.463 -1.263 1 1 321 . 4 1 1 A 34 34 LEU H H 34 9.510 9.342 0.168 1 1 322 . 4 1 1 A 34 34 LEU HA H 34 4.290 4.283 0.007 1 1 332 . 4 1 1 A 34 34 LEU C C 34 177.900 177.201 0.699 1 1 333 . 4 1 1 A 34 34 LEU CA C 34 56.200 55.786 0.414 1 1 334 . 4 1 1 A 34 34 LEU CB C 34 41.300 42.463 -1.163 1 1 338 . 4 1 1 A 34 34 LEU N N 34 126.800 126.422 0.378 1 1 339 . 4 1 1 A 35 35 GLY H H 35 8.310 7.914 0.396 1 1 340 . 4 1 1 A 35 35 GLY HA2 H 35 3.810 4.137 -0.327 1 1 341 . 4 1 1 A 35 35 GLY HA3 H 35 4.230 4.138 0.092 1 1 342 . 4 1 1 A 35 35 GLY C C 35 171.900 173.335 -1.435 1 1 343 . 4 1 1 A 35 35 GLY CA C 35 44.400 44.569 -0.169 1 1 344 . 4 1 1 A 35 35 GLY N N 35 106.500 106.384 0.116 1 1 345 . 4 1 1 A 36 36 GLN H H 36 7.990 8.360 -0.370 1 1 346 . 4 1 1 A 36 36 GLN HA H 36 5.310 4.754 0.556 1 1 353 . 4 1 1 A 36 36 GLN C C 36 176.700 174.935 1.765 1 1 354 . 4 1 1 A 36 36 GLN CA C 36 54.500 56.742 -2.242 1 1 355 . 4 1 1 A 36 36 GLN CB C 36 30.100 29.644 0.456 1 1 357 . 4 1 1 A 36 36 GLN N N 36 115.700 120.321 -4.621 1 1 359 . 4 1 1 A 37 37 VAL H H 37 8.910 8.208 0.702 1 1 360 . 4 1 1 A 37 37 VAL HA H 37 4.500 4.674 -0.174 1 1 368 . 4 1 1 A 37 37 VAL C C 37 174.700 174.271 0.429 1 1 369 . 4 1 1 A 37 37 VAL CA C 37 60.200 60.049 0.151 1 1 370 . 4 1 1 A 37 37 VAL CB C 37 34.800 35.639 -0.839 1 1 373 . 4 1 1 A 37 37 VAL N N 37 124.300 121.539 2.761 1 1 374 . 4 1 1 A 38 38 ARG H H 38 8.750 8.843 -0.093 1 1 375 . 4 1 1 A 38 38 ARG HA H 38 4.940 4.462 0.478 1 1 381 . 4 1 1 A 38 38 ARG C C 38 179.500 177.784 1.716 1 1 382 . 4 1 1 A 38 38 ARG CA C 38 55.700 56.239 -0.539 1 1 383 . 4 1 1 A 38 38 ARG CB C 38 30.700 30.438 0.262 1 1 386 . 4 1 1 A 38 38 ARG N N 38 125.400 125.069 0.331 1 1 388 . 4 1 1 A 39 39 THR H H 39 8.820 8.927 -0.107 1 1 389 . 4 1 1 A 39 39 THR HA H 39 3.320 3.903 -0.583 1 1 394 . 4 1 1 A 39 39 THR C C 39 178.500 175.998 2.502 1 1 395 . 4 1 1 A 39 39 THR CA C 39 65.700 65.265 0.435 1 1 396 . 4 1 1 A 39 39 THR CB C 39 67.300 68.203 -0.903 1 1 398 . 4 1 1 A 39 39 THR N N 39 116.200 118.577 -2.377 1 1 399 . 4 1 1 A 40 40 ALA H H 40 8.060 8.226 -0.166 1 1 400 . 4 1 1 A 40 40 ALA HA H 40 4.110 4.016 0.094 1 1 404 . 4 1 1 A 40 40 ALA C C 40 178.900 179.380 -0.480 1 1 405 . 4 1 1 A 40 40 ALA CA C 40 54.500 55.147 -0.647 1 1 406 . 4 1 1 A 40 40 ALA CB C 40 18.800 17.928 0.872 1 1 407 . 4 1 1 A 40 40 ALA N N 40 121.200 124.903 -3.703 1 1 408 . 4 1 1 A 41 41 SER H H 41 7.580 7.948 -0.368 1 1 409 . 4 1 1 A 41 41 SER HA H 41 4.460 4.424 0.036 1 1 412 . 4 1 1 A 41 41 SER C C 41 172.900 173.970 -1.070 1 1 413 . 4 1 1 A 41 41 SER CA C 41 59.400 59.750 -0.350 1 1 414 . 4 1 1 A 41 41 SER CB C 41 63.700 63.408 0.292 1 1 415 . 4 1 1 A 41 41 SER N N 41 112.300 111.503 0.797 1 1 416 . 4 1 1 A 42 42 LEU H H 42 7.330 7.842 -0.512 1 1 417 . 4 1 1 A 42 42 LEU HA H 42 4.460 4.536 -0.076 1 1 427 . 4 1 1 A 42 42 LEU C C 42 174.400 175.916 -1.516 1 1 428 . 4 1 1 A 42 42 LEU CA C 42 52.100 54.088 -1.988 1 1 429 . 4 1 1 A 42 42 LEU CB C 42 43.800 42.924 0.876 1 1 433 . 4 1 1 A 42 42 LEU N N 42 124.500 122.041 2.459 1 1 434 . 4 1 1 A 43 43 ALA H H 43 7.520 8.565 -1.045 1 1 435 . 4 1 1 A 43 43 ALA HA H 43 4.550 4.555 -0.005 1 1 439 . 4 1 1 A 43 43 ALA C C 43 176.600 176.174 0.426 1 1 440 . 4 1 1 A 43 43 ALA CA C 43 53.300 51.613 1.687 1 1 441 . 4 1 1 A 43 43 ALA CB C 43 20.000 21.055 -1.055 1 1 442 . 4 1 1 A 43 43 ALA N N 43 118.200 124.618 -6.418 1 1 443 . 4 1 1 A 44 44 GLN H H 44 7.040 7.572 -0.532 1 1 444 . 4 1 1 A 44 44 GLN HA H 44 4.150 4.572 -0.422 1 1 449 . 4 1 1 A 44 44 GLN C C 44 172.800 173.302 -0.502 1 1 450 . 4 1 1 A 44 44 GLN CA C 44 53.400 54.125 -0.725 1 1 451 . 4 1 1 A 44 44 GLN CB C 44 31.600 31.838 -0.238 1 1 453 . 4 1 1 A 44 44 GLN N N 44 111.900 114.826 -2.926 1 1 455 . 4 1 1 A 45 45 GLU H H 45 8.490 8.559 -0.069 1 1 456 . 4 1 1 A 45 45 GLU HA H 45 3.680 3.866 -0.186 1 1 461 . 4 1 1 A 45 45 GLU C C 45 177.500 177.308 0.192 1 1 462 . 4 1 1 A 45 45 GLU CA C 45 57.100 58.100 -1.000 1 1 463 . 4 1 1 A 45 45 GLU CB C 45 28.500 29.308 -0.808 1 1 465 . 4 1 1 A 45 45 GLU N N 45 120.300 122.500 -2.200 1 1 466 . 4 1 1 A 46 46 GLY H H 46 8.520 8.586 -0.066 1 1 467 . 4 1 1 A 46 46 GLY HA2 H 46 4.140 3.041 1.099 1 1 468 . 4 1 1 A 46 46 GLY HA3 H 46 3.050 3.800 -0.750 1 1 469 . 4 1 1 A 46 46 GLY C C 46 173.900 173.967 -0.067 1 1 470 . 4 1 1 A 46 46 GLY CA C 46 44.400 44.854 -0.454 1 1 471 . 4 1 1 A 46 46 GLY N N 46 115.100 114.551 0.549 1 1 472 . 4 1 1 A 47 47 ALA H H 47 7.690 7.685 0.005 1 1 473 . 4 1 1 A 47 47 ALA HA H 47 4.320 4.225 0.095 1 1 477 . 4 1 1 A 47 47 ALA C C 47 176.000 176.569 -0.569 1 1 478 . 4 1 1 A 47 47 ALA CA C 47 52.800 52.224 0.576 1 1 479 . 4 1 1 A 47 47 ALA CB C 47 19.900 19.840 0.060 1 1 480 . 4 1 1 A 47 47 ALA N N 47 123.600 123.619 -0.019 1 1 481 . 4 1 1 A 48 48 THR H H 48 7.960 8.507 -0.547 1 1 482 . 4 1 1 A 48 48 THR HA H 48 5.440 5.080 0.360 1 1 487 . 4 1 1 A 48 48 THR C C 48 175.700 172.772 2.928 1 1 488 . 4 1 1 A 48 48 THR CA C 48 58.500 59.596 -1.096 1 1 489 . 4 1 1 A 48 48 THR CB C 48 73.500 72.315 1.185 1 1 491 . 4 1 1 A 48 48 THR N N 48 107.700 111.527 -3.827 1 1 492 . 4 1 1 A 49 49 SER H H 49 8.240 8.774 -0.534 1 1 493 . 4 1 1 A 49 49 SER HA H 49 4.810 4.633 0.177 1 1 494 . 4 1 1 A 49 49 SER C C 49 174.000 175.416 -1.416 1 1 495 . 4 1 1 A 49 49 SER CA C 49 57.100 58.337 -1.237 1 1 496 . 4 1 1 A 49 49 SER CB C 49 65.800 64.016 1.784 1 1 497 . 4 1 1 A 49 49 SER N N 49 115.400 118.082 -2.682 1 1 498 . 4 1 1 A 50 50 SER H H 50 8.640 8.752 -0.112 1 1 499 . 4 1 1 A 50 50 SER HA H 50 4.340 4.141 0.199 1 1 502 . 4 1 1 A 50 50 SER C C 50 174.200 174.274 -0.074 1 1 503 . 4 1 1 A 50 50 SER CA C 50 59.600 61.708 -2.108 1 1 504 . 4 1 1 A 50 50 SER CB C 50 63.200 63.532 -0.332 1 1 505 . 4 1 1 A 50 50 SER N N 50 114.800 119.566 -4.766 1 1 506 . 4 1 1 A 51 51 ALA H H 51 8.520 7.316 1.204 1 1 507 . 4 1 1 A 51 51 ALA HA H 51 4.640 4.498 0.142 1 1 511 . 4 1 1 A 51 51 ALA C C 51 177.800 175.050 2.750 1 1 512 . 4 1 1 A 51 51 ALA CA C 51 52.000 51.914 0.086 1 1 513 . 4 1 1 A 51 51 ALA CB C 51 20.100 22.177 -2.077 1 1 514 . 4 1 1 A 51 51 ALA N N 51 127.800 118.640 9.160 1 1 515 . 4 1 1 A 52 52 VAL H H 52 9.250 8.524 0.726 1 1 516 . 4 1 1 A 52 52 VAL HA H 52 4.380 4.821 -0.441 1 1 524 . 4 1 1 A 52 52 VAL C C 52 176.100 174.835 1.265 1 1 525 . 4 1 1 A 52 52 VAL CA C 52 61.200 60.704 0.496 1 1 526 . 4 1 1 A 52 52 VAL CB C 52 34.800 35.919 -1.119 1 1 529 . 4 1 1 A 52 52 VAL N N 52 122.200 119.641 2.559 1 1 530 . 4 1 1 A 53 53 GLY H H 53 8.730 8.855 -0.125 1 1 531 . 4 1 1 A 53 53 GLY HA2 H 53 4.890 4.310 0.580 1 1 532 . 4 1 1 A 53 53 GLY HA3 H 53 3.760 4.363 -0.603 1 1 533 . 4 1 1 A 53 53 GLY C C 53 173.700 172.881 0.819 1 1 534 . 4 1 1 A 53 53 GLY CA C 53 45.400 44.223 1.177 1 1 535 . 4 1 1 A 53 53 GLY N N 53 112.400 113.751 -1.351 1 1 536 . 4 1 1 A 54 54 PHE H H 54 8.500 8.891 -0.391 1 1 537 . 4 1 1 A 54 54 PHE HA H 54 4.830 5.683 -0.853 1 1 539 . 4 1 1 A 54 54 PHE C C 54 171.300 172.955 -1.655 1 1 540 . 4 1 1 A 54 54 PHE CA C 54 56.900 55.875 1.025 1 1 541 . 4 1 1 A 54 54 PHE CB C 54 41.600 43.024 -1.424 1 1 545 . 4 1 1 A 54 54 PHE N N 54 118.300 116.817 1.483 1 1 546 . 4 1 1 A 55 55 ASN H H 55 9.240 8.842 0.398 1 1 547 . 4 1 1 A 55 55 ASN HA H 55 5.640 5.347 0.293 1 1 552 . 4 1 1 A 55 55 ASN C C 55 175.200 173.311 1.889 1 1 553 . 4 1 1 A 55 55 ASN CA C 55 51.800 51.857 -0.057 1 1 554 . 4 1 1 A 55 55 ASN CB C 55 43.000 42.383 0.617 1 1 555 . 4 1 1 A 55 55 ASN N N 55 117.100 116.647 0.453 1 1 557 . 4 1 1 A 56 56 ILE H H 56 8.780 8.789 -0.009 1 1 558 . 4 1 1 A 56 56 ILE HA H 56 4.150 4.450 -0.300 1 1 568 . 4 1 1 A 56 56 ILE C C 56 173.700 174.930 -1.230 1 1 569 . 4 1 1 A 56 56 ILE CA C 56 60.800 60.628 0.172 1 1 570 . 4 1 1 A 56 56 ILE CB C 56 40.000 37.876 2.124 1 1 574 . 4 1 1 A 56 56 ILE N N 56 119.900 121.085 -1.185 1 1 575 . 4 1 1 A 57 57 GLN H H 57 8.840 8.953 -0.113 1 1 576 . 4 1 1 A 57 57 GLN HA H 57 4.970 4.687 0.283 1 1 581 . 4 1 1 A 57 57 GLN C C 57 173.100 174.707 -1.607 1 1 582 . 4 1 1 A 57 57 GLN CA C 57 54.900 55.971 -1.071 1 1 583 . 4 1 1 A 57 57 GLN CB C 57 31.300 29.369 1.931 1 1 585 . 4 1 1 A 57 57 GLN N N 57 128.700 128.341 0.359 1 1 587 . 4 1 1 A 58 58 LEU H H 58 9.090 9.092 -0.002 1 1 588 . 4 1 1 A 58 58 LEU HA H 58 5.010 5.033 -0.023 1 1 598 . 4 1 1 A 58 58 LEU C C 58 174.700 175.553 -0.853 1 1 599 . 4 1 1 A 58 58 LEU CA C 58 52.600 53.509 -0.909 1 1 600 . 4 1 1 A 58 58 LEU CB C 58 43.800 45.031 -1.231 1 1 604 . 4 1 1 A 58 58 LEU N N 58 126.800 128.945 -2.145 1 1 605 . 4 1 1 A 59 59 ASN H H 59 9.670 9.230 0.440 1 1 606 . 4 1 1 A 59 59 ASN HA H 59 5.130 5.193 -0.063 1 1 611 . 4 1 1 A 59 59 ASN C C 59 175.700 174.930 0.770 1 1 612 . 4 1 1 A 59 59 ASN CA C 59 51.200 51.675 -0.475 1 1 613 . 4 1 1 A 59 59 ASN CB C 59 41.500 41.721 -0.221 1 1 614 . 4 1 1 A 59 59 ASN N N 59 119.300 120.893 -1.593 1 1 616 . 4 1 1 A 60 60 ASP H H 60 9.440 9.013 0.427 1 1 617 . 4 1 1 A 60 60 ASP HA H 60 4.240 4.149 0.091 1 1 620 . 4 1 1 A 60 60 ASP C C 60 176.000 175.790 0.210 1 1 621 . 4 1 1 A 60 60 ASP CA C 60 55.200 55.076 0.124 1 1 622 . 4 1 1 A 60 60 ASP CB C 60 39.100 39.845 -0.745 1 1 623 . 4 1 1 A 60 60 ASP N N 60 115.200 120.833 -5.633 1 1 624 . 4 1 1 A 61 61 CYS H H 61 8.690 7.523 1.167 1 1 625 . 4 1 1 A 61 61 CYS HA H 61 5.240 4.709 0.531 1 1 628 . 4 1 1 A 61 61 CYS CA C 61 56.800 56.850 -0.050 1 1 629 . 4 1 1 A 61 61 CYS CB C 61 41.800 43.591 -1.791 1 1 630 . 4 1 1 A 61 61 CYS N N 61 114.600 118.191 -3.591 1 1 631 . 4 1 1 A 62 62 ASP H H 62 8.280 8.180 0.100 1 1 632 . 4 1 1 A 62 62 ASP HA H 62 5.040 5.140 -0.100 1 1 635 . 4 1 1 A 62 62 ASP C C 62 178.200 176.473 1.727 1 1 636 . 4 1 1 A 62 62 ASP CA C 62 52.300 52.536 -0.236 1 1 637 . 4 1 1 A 62 62 ASP CB C 62 42.000 43.560 -1.560 1 1 638 . 4 1 1 A 62 62 ASP N N 62 122.300 125.003 -2.703 1 1 639 . 4 1 1 A 63 63 THR H H 63 8.620 8.861 -0.241 1 1 640 . 4 1 1 A 63 63 THR HA H 63 4.870 4.381 0.489 1 1 645 . 4 1 1 A 63 63 THR C C 63 176.500 176.362 0.138 1 1 646 . 4 1 1 A 63 63 THR CA C 63 63.100 64.514 -1.414 1 1 647 . 4 1 1 A 63 63 THR CB C 63 68.500 68.860 -0.360 1 1 649 . 4 1 1 A 63 63 THR N N 63 115.500 119.608 -4.108 1 1 650 . 4 1 1 A 64 64 ASN H H 64 8.800 8.324 0.476 1 1 651 . 4 1 1 A 64 64 ASN HA H 64 4.580 4.416 0.164 1 1 656 . 4 1 1 A 64 64 ASN C C 64 176.800 178.178 -1.378 1 1 657 . 4 1 1 A 64 64 ASN CA C 64 55.100 56.161 -1.061 1 1 658 . 4 1 1 A 64 64 ASN CB C 64 38.300 38.359 -0.059 1 1 659 . 4 1 1 A 64 64 ASN N N 64 119.100 121.284 -2.184 1 1 661 . 4 1 1 A 65 65 VAL H H 65 7.780 7.338 0.442 1 1 662 . 4 1 1 A 65 65 VAL HA H 65 3.800 3.878 -0.078 1 1 670 . 4 1 1 A 65 65 VAL C C 65 175.900 176.313 -0.413 1 1 671 . 4 1 1 A 65 65 VAL CA C 65 64.400 64.453 -0.053 1 1 672 . 4 1 1 A 65 65 VAL CB C 65 32.500 32.148 0.352 1 1 675 . 4 1 1 A 65 65 VAL N N 65 120.800 116.430 4.370 1 1 676 . 4 1 1 A 66 66 ALA H H 66 7.400 7.271 0.129 1 1 677 . 4 1 1 A 66 66 ALA HA H 66 4.270 4.565 -0.295 1 1 681 . 4 1 1 A 66 66 ALA C C 66 173.800 177.239 -3.439 1 1 682 . 4 1 1 A 66 66 ALA CA C 66 52.400 51.747 0.653 1 1 683 . 4 1 1 A 66 66 ALA CB C 66 23.400 22.922 0.478 1 1 684 . 4 1 1 A 66 66 ALA N N 66 118.100 120.171 -2.071 1 1 685 . 4 1 1 A 67 67 SER H H 67 8.070 8.625 -0.555 1 1 686 . 4 1 1 A 67 67 SER HA H 67 4.720 4.551 0.169 1 1 689 . 4 1 1 A 67 67 SER C C 67 175.100 174.394 0.706 1 1 690 . 4 1 1 A 67 67 SER CA C 67 57.800 60.365 -2.565 1 1 691 . 4 1 1 A 67 67 SER CB C 67 65.200 64.154 1.046 1 1 692 . 4 1 1 A 67 67 SER N N 67 109.700 116.459 -6.759 1 1 693 . 4 1 1 A 68 68 LYS H H 68 8.140 7.962 0.178 1 1 694 . 4 1 1 A 68 68 LYS HA H 68 5.450 4.918 0.532 1 1 699 . 4 1 1 A 68 68 LYS C C 68 174.600 175.389 -0.789 1 1 700 . 4 1 1 A 68 68 LYS CA C 68 54.900 54.587 0.313 1 1 701 . 4 1 1 A 68 68 LYS CB C 68 38.000 35.844 2.156 1 1 705 . 4 1 1 A 68 68 LYS N N 68 121.300 118.910 2.390 1 1 706 . 4 1 1 A 69 69 ALA H H 69 8.560 8.754 -0.194 1 1 707 . 4 1 1 A 69 69 ALA HA H 69 5.630 5.195 0.435 1 1 711 . 4 1 1 A 69 69 ALA C C 69 175.300 175.484 -0.184 1 1 712 . 4 1 1 A 69 69 ALA CA C 69 50.000 49.845 0.155 1 1 713 . 4 1 1 A 69 69 ALA CB C 69 24.500 23.154 1.346 1 1 714 . 4 1 1 A 69 69 ALA N N 69 120.400 121.514 -1.114 1 1 715 . 4 1 1 A 70 70 ALA H H 70 8.660 8.585 0.075 1 1 716 . 4 1 1 A 70 70 ALA HA H 70 4.660 5.454 -0.794 1 1 720 . 4 1 1 A 70 70 ALA C C 70 175.000 175.599 -0.599 1 1 721 . 4 1 1 A 70 70 ALA CA C 70 51.400 50.333 1.067 1 1 722 . 4 1 1 A 70 70 ALA CB C 70 23.800 23.843 -0.043 1 1 723 . 4 1 1 A 70 70 ALA N N 70 121.800 121.086 0.714 1 1 724 . 4 1 1 A 71 71 VAL H H 71 8.730 8.994 -0.264 1 1 725 . 4 1 1 A 71 71 VAL HA H 71 5.230 5.194 0.036 1 1 733 . 4 1 1 A 71 71 VAL C C 71 174.200 173.190 1.010 1 1 734 . 4 1 1 A 71 71 VAL CA C 71 61.200 59.771 1.429 1 1 735 . 4 1 1 A 71 71 VAL CB C 71 36.100 36.221 -0.121 1 1 738 . 4 1 1 A 71 71 VAL N N 71 119.200 117.981 1.219 1 1 739 . 4 1 1 A 72 72 ALA H H 72 8.200 8.724 -0.524 1 1 740 . 4 1 1 A 72 72 ALA HA H 72 4.680 5.374 -0.694 1 1 744 . 4 1 1 A 72 72 ALA C C 72 176.500 175.772 0.728 1 1 745 . 4 1 1 A 72 72 ALA CA C 72 50.200 50.769 -0.569 1 1 746 . 4 1 1 A 72 72 ALA CB C 72 21.000 24.050 -3.050 1 1 747 . 4 1 1 A 72 72 ALA N N 72 127.900 126.623 1.277 1 1 748 . 4 1 1 A 73 73 PHE H H 73 9.700 8.672 1.028 1 1 749 . 4 1 1 A 73 73 PHE HA H 73 5.270 5.380 -0.110 1 1 753 . 4 1 1 A 73 73 PHE C C 73 174.500 174.880 -0.380 1 1 754 . 4 1 1 A 73 73 PHE CA C 73 57.400 56.315 1.085 1 1 755 . 4 1 1 A 73 73 PHE CB C 73 42.800 43.947 -1.147 1 1 759 . 4 1 1 A 73 73 PHE N N 73 121.600 116.603 4.997 1 1 760 . 4 1 1 A 74 74 LEU H H 74 9.180 8.836 0.344 1 1 761 . 4 1 1 A 74 74 LEU HA H 74 4.670 4.920 -0.250 1 1 771 . 4 1 1 A 74 74 LEU C C 74 175.800 175.523 0.277 1 1 772 . 4 1 1 A 74 74 LEU CA C 74 53.600 54.290 -0.690 1 1 773 . 4 1 1 A 74 74 LEU CB C 74 45.400 46.224 -0.824 1 1 777 . 4 1 1 A 74 74 LEU N N 74 122.100 122.531 -0.431 1 1 778 . 4 1 1 A 75 75 GLY H H 75 8.460 7.978 0.482 1 1 779 . 4 1 1 A 75 75 GLY HA2 H 75 3.960 4.263 -0.303 1 1 780 . 4 1 1 A 75 75 GLY HA3 H 75 4.380 4.289 0.091 1 1 781 . 4 1 1 A 75 75 GLY C C 75 171.100 171.798 -0.698 1 1 782 . 4 1 1 A 75 75 GLY CA C 75 44.900 45.708 -0.808 1 1 783 . 4 1 1 A 75 75 GLY N N 75 111.400 112.000 -0.600 1 1 784 . 4 1 1 A 76 76 THR H H 76 8.450 8.733 -0.283 1 1 785 . 4 1 1 A 76 76 THR HA H 76 4.230 4.411 -0.181 1 1 790 . 4 1 1 A 76 76 THR C C 76 173.500 174.396 -0.896 1 1 791 . 4 1 1 A 76 76 THR CA C 76 62.600 63.175 -0.575 1 1 792 . 4 1 1 A 76 76 THR CB C 76 69.800 69.296 0.504 1 1 794 . 4 1 1 A 76 76 THR N N 76 118.300 116.028 2.272 1 1 795 . 4 1 1 A 77 77 ALA H H 77 8.740 8.896 -0.156 1 1 796 . 4 1 1 A 77 77 ALA HA H 77 4.860 4.626 0.234 1 1 800 . 4 1 1 A 77 77 ALA C C 77 179.700 178.345 1.355 1 1 801 . 4 1 1 A 77 77 ALA CA C 77 51.700 52.329 -0.629 1 1 802 . 4 1 1 A 77 77 ALA CB C 77 19.600 19.159 0.441 1 1 803 . 4 1 1 A 77 77 ALA N N 77 130.800 128.498 2.302 1 1 804 . 4 1 1 A 78 78 ILE H H 78 9.000 8.610 0.390 1 1 805 . 4 1 1 A 78 78 ILE HA H 78 3.820 4.045 -0.225 1 1 815 . 4 1 1 A 78 78 ILE C C 78 173.900 174.661 -0.761 1 1 816 . 4 1 1 A 78 78 ILE CA C 78 65.500 63.696 1.804 1 1 817 . 4 1 1 A 78 78 ILE CB C 78 39.200 38.697 0.503 1 1 821 . 4 1 1 A 78 78 ILE N N 78 122.600 122.559 0.041 1 1 822 . 4 1 1 A 79 79 ASP H H 79 7.360 7.828 -0.468 1 1 823 . 4 1 1 A 79 79 ASP HA H 79 4.450 4.871 -0.421 1 1 826 . 4 1 1 A 79 79 ASP C C 79 175.700 175.658 0.042 1 1 827 . 4 1 1 A 79 79 ASP CA C 79 53.900 53.675 0.225 1 1 828 . 4 1 1 A 79 79 ASP CB C 79 41.800 43.673 -1.873 1 1 829 . 4 1 1 A 79 79 ASP N N 79 113.600 119.990 -6.390 1 1 830 . 4 1 1 A 80 80 ALA H H 80 8.510 8.852 -0.342 1 1 831 . 4 1 1 A 80 80 ALA HA H 80 4.100 4.005 0.095 1 1 835 . 4 1 1 A 80 80 ALA C C 80 178.600 179.104 -0.504 1 1 836 . 4 1 1 A 80 80 ALA CA C 80 54.200 55.224 -1.024 1 1 837 . 4 1 1 A 80 80 ALA CB C 80 18.600 18.546 0.054 1 1 838 . 4 1 1 A 80 80 ALA N N 80 118.700 125.612 -6.912 1 1 839 . 4 1 1 A 81 81 GLY H H 81 8.440 8.763 -0.323 1 1 840 . 4 1 1 A 81 81 GLY HA2 H 81 3.490 3.886 -0.396 1 1 841 . 4 1 1 A 81 81 GLY HA3 H 81 4.120 3.910 0.210 1 1 842 . 4 1 1 A 81 81 GLY C C 81 174.100 174.429 -0.329 1 1 843 . 4 1 1 A 81 81 GLY CA C 81 44.800 45.567 -0.767 1 1 844 . 4 1 1 A 81 81 GLY N N 81 104.400 105.111 -0.711 1 1 845 . 4 1 1 A 82 82 HIS H H 82 7.830 7.850 -0.020 1 1 846 . 4 1 1 A 82 82 HIS HA H 82 4.920 4.994 -0.074 1 1 851 . 4 1 1 A 82 82 HIS C C 82 174.600 174.963 -0.363 1 1 852 . 4 1 1 A 82 82 HIS CA C 82 54.700 54.616 0.084 1 1 853 . 4 1 1 A 82 82 HIS CB C 82 28.100 29.264 -1.164 1 1 856 . 4 1 1 A 82 82 HIS N N 82 120.400 117.299 3.101 1 1 857 . 4 1 1 A 83 83 THR H H 83 8.220 8.026 0.194 1 1 858 . 4 1 1 A 83 83 THR HA H 83 4.090 4.041 0.049 1 1 863 . 4 1 1 A 83 83 THR C C 83 174.300 176.479 -2.179 1 1 864 . 4 1 1 A 83 83 THR CA C 83 63.600 64.787 -1.187 1 1 865 . 4 1 1 A 83 83 THR CB C 83 68.500 68.493 0.007 1 1 867 . 4 1 1 A 83 83 THR N N 83 109.800 113.028 -3.228 1 1 868 . 4 1 1 A 84 84 ASN H H 84 7.490 7.835 -0.345 1 1 869 . 4 1 1 A 84 84 ASN HA H 84 4.810 4.516 0.294 1 1 874 . 4 1 1 A 84 84 ASN C C 84 174.100 175.335 -1.235 1 1 875 . 4 1 1 A 84 84 ASN CA C 84 51.100 55.264 -4.164 1 1 876 . 4 1 1 A 84 84 ASN CB C 84 38.100 38.694 -0.594 1 1 877 . 4 1 1 A 84 84 ASN N N 84 115.800 119.087 -3.287 1 1 879 . 4 1 1 A 85 85 VAL H H 85 7.300 7.819 -0.519 1 1 880 . 4 1 1 A 85 85 VAL HA H 85 4.090 4.365 -0.275 1 1 888 . 4 1 1 A 85 85 VAL C C 85 173.700 175.508 -1.808 1 1 889 . 4 1 1 A 85 85 VAL CA C 85 61.600 61.803 -0.203 1 1 890 . 4 1 1 A 85 85 VAL CB C 85 33.600 32.997 0.603 1 1 893 . 4 1 1 A 85 85 VAL N N 85 120.200 120.798 -0.598 1 1 894 . 4 1 1 A 86 86 LEU H H 86 9.850 8.838 1.012 1 1 895 . 4 1 1 A 86 86 LEU HA H 86 4.220 4.699 -0.479 1 1 905 . 4 1 1 A 86 86 LEU C C 86 176.800 178.521 -1.721 1 1 906 . 4 1 1 A 86 86 LEU CA C 86 55.000 54.393 0.607 1 1 907 . 4 1 1 A 86 86 LEU CB C 86 44.200 42.438 1.762 1 1 911 . 4 1 1 A 86 86 LEU N N 86 130.700 128.482 2.218 1 1 912 . 4 1 1 A 87 87 ALA H H 87 8.670 8.110 0.560 1 1 913 . 4 1 1 A 87 87 ALA HA H 87 4.110 4.585 -0.475 1 1 917 . 4 1 1 A 87 87 ALA C C 87 177.000 177.486 -0.486 1 1 918 . 4 1 1 A 87 87 ALA CA C 87 51.500 51.453 0.047 1 1 919 . 4 1 1 A 87 87 ALA CB C 87 20.000 18.595 1.405 1 1 920 . 4 1 1 A 87 87 ALA N N 87 123.600 126.344 -2.744 1 1 921 . 4 1 1 A 88 88 LEU H H 88 8.590 7.986 0.604 1 1 922 . 4 1 1 A 88 88 LEU HA H 88 4.780 4.370 0.410 1 1 932 . 4 1 1 A 88 88 LEU C C 88 179.400 175.837 3.563 1 1 933 . 4 1 1 A 88 88 LEU CA C 88 53.500 57.015 -3.515 1 1 934 . 4 1 1 A 88 88 LEU CB C 88 41.600 40.764 0.836 1 1 938 . 4 1 1 A 88 88 LEU N N 88 116.800 116.241 0.559 1 1 939 . 4 1 1 A 89 89 GLN H H 89 9.050 7.986 1.064 1 1 940 . 4 1 1 A 89 89 GLN HA H 89 4.340 5.084 -0.744 1 1 945 . 4 1 1 A 89 89 GLN C C 89 177.200 174.710 2.490 1 1 946 . 4 1 1 A 89 89 GLN CA C 89 55.800 54.372 1.428 1 1 947 . 4 1 1 A 89 89 GLN CB C 89 29.900 31.805 -1.905 1 1 949 . 4 1 1 A 89 89 GLN N N 89 120.900 117.139 3.761 1 1 951 . 4 1 1 A 90 90 SER H H 90 8.660 9.080 -0.420 1 1 952 . 4 1 1 A 90 90 SER HA H 90 4.520 4.448 0.072 1 1 955 . 4 1 1 A 90 90 SER C C 90 174.100 173.682 0.418 1 1 956 . 4 1 1 A 90 90 SER CA C 90 58.400 58.692 -0.292 1 1 957 . 4 1 1 A 90 90 SER CB C 90 63.800 63.010 0.790 1 1 958 . 4 1 1 A 90 90 SER N N 90 118.600 114.731 3.869 1 1 959 . 4 1 1 A 91 91 SER H H 91 8.360 9.208 -0.848 1 1 960 . 4 1 1 A 91 91 SER HA H 91 4.640 4.143 0.497 1 1 963 . 4 1 1 A 91 91 SER C C 91 175.100 173.328 1.772 1 1 964 . 4 1 1 A 91 91 SER CA C 91 57.700 59.298 -1.598 1 1 965 . 4 1 1 A 91 91 SER CB C 91 64.900 61.967 2.933 1 1 966 . 4 1 1 A 91 91 SER N N 91 117.100 121.150 -4.050 1 1 967 . 4 1 1 A 92 92 ALA H H 92 8.720 8.319 0.401 1 1 968 . 4 1 1 A 92 92 ALA HA H 92 4.230 3.889 0.341 1 1 972 . 4 1 1 A 92 92 ALA C C 92 178.400 177.599 0.801 1 1 973 . 4 1 1 A 92 92 ALA CA C 92 54.000 55.040 -1.040 1 1 974 . 4 1 1 A 92 92 ALA CB C 92 18.700 17.466 1.234 1 1 975 . 4 1 1 A 92 92 ALA N N 92 127.600 116.713 10.887 1 1 976 . 4 1 1 A 93 93 ALA H H 93 8.180 8.293 -0.113 1 1 977 . 4 1 1 A 93 93 ALA HA H 93 4.340 4.528 -0.188 1 1 981 . 4 1 1 A 93 93 ALA C C 93 178.000 178.281 -0.281 1 1 982 . 4 1 1 A 93 93 ALA CA C 93 52.700 51.671 1.029 1 1 983 . 4 1 1 A 93 93 ALA CB C 93 19.100 20.390 -1.290 1 1 984 . 4 1 1 A 93 93 ALA N N 93 119.800 117.809 1.991 1 1 985 . 4 1 1 A 94 94 GLY H H 94 7.880 7.768 0.112 1 1 986 . 4 1 1 A 94 94 GLY HA2 H 94 4.370 3.971 0.399 1 1 987 . 4 1 1 A 94 94 GLY HA3 H 94 3.780 3.973 -0.193 1 1 988 . 4 1 1 A 94 94 GLY C C 94 174.400 174.066 0.334 1 1 989 . 4 1 1 A 94 94 GLY CA C 94 45.200 45.429 -0.229 1 1 990 . 4 1 1 A 94 94 GLY N N 94 107.900 107.441 0.459 1 1 991 . 4 1 1 A 95 95 SER H H 95 8.510 7.700 0.810 1 1 992 . 4 1 1 A 95 95 SER HA H 95 5.060 4.411 0.649 1 1 995 . 4 1 1 A 95 95 SER C C 95 174.400 174.353 0.047 1 1 996 . 4 1 1 A 95 95 SER CA C 95 58.000 58.411 -0.411 1 1 997 . 4 1 1 A 95 95 SER CB C 95 65.100 64.410 0.690 1 1 998 . 4 1 1 A 95 95 SER N N 95 119.300 115.426 3.874 1 1 999 . 4 1 1 A 96 96 ALA H H 96 8.340 8.472 -0.132 1 1 1000 . 4 1 1 A 96 96 ALA HA H 96 3.830 4.218 -0.388 1 1 1004 . 4 1 1 A 96 96 ALA C C 96 176.800 177.651 -0.851 1 1 1005 . 4 1 1 A 96 96 ALA CA C 96 53.200 52.971 0.229 1 1 1006 . 4 1 1 A 96 96 ALA CB C 96 19.700 18.999 0.701 1 1 1007 . 4 1 1 A 96 96 ALA N N 96 126.000 123.958 2.042 1 1 1008 . 4 1 1 A 97 97 THR H H 97 7.150 8.513 -1.363 1 1 1009 . 4 1 1 A 97 97 THR HA H 97 4.760 4.676 0.084 1 1 1014 . 4 1 1 A 97 97 THR C C 97 173.100 174.068 -0.968 1 1 1015 . 4 1 1 A 97 97 THR CA C 97 60.300 60.468 -0.168 1 1 1016 . 4 1 1 A 97 97 THR CB C 97 71.600 70.768 0.832 1 1 1018 . 4 1 1 A 97 97 THR N N 97 109.600 112.968 -3.368 1 1 1019 . 4 1 1 A 98 98 ASN H H 98 8.920 8.761 0.159 1 1 1020 . 4 1 1 A 98 98 ASN HA H 98 4.030 4.366 -0.336 1 1 1025 . 4 1 1 A 98 98 ASN C C 98 173.600 174.099 -0.499 1 1 1026 . 4 1 1 A 98 98 ASN CA C 98 53.800 54.362 -0.562 1 1 1027 . 4 1 1 A 98 98 ASN CB C 98 35.500 37.425 -1.925 1 1 1028 . 4 1 1 A 98 98 ASN N N 98 112.300 117.999 -5.699 1 1 1030 . 4 1 1 A 99 99 VAL H H 99 7.170 7.668 -0.498 1 1 1031 . 4 1 1 A 99 99 VAL HA H 99 4.920 4.738 0.182 1 1 1039 . 4 1 1 A 99 99 VAL C C 99 172.400 174.270 -1.870 1 1 1040 . 4 1 1 A 99 99 VAL CA C 99 60.100 59.669 0.431 1 1 1041 . 4 1 1 A 99 99 VAL CB C 99 34.800 35.370 -0.570 1 1 1044 . 4 1 1 A 99 99 VAL N N 99 112.000 117.519 -5.519 1 1 1045 . 4 1 1 A 100 100 GLY H H 100 8.480 8.108 0.372 1 1 1046 . 4 1 1 A 100 100 GLY HA2 H 100 3.960 4.263 -0.303 1 1 1047 . 4 1 1 A 100 100 GLY HA3 H 100 4.530 4.292 0.238 1 1 1048 . 4 1 1 A 100 100 GLY C C 100 172.600 171.966 0.634 1 1 1049 . 4 1 1 A 100 100 GLY CA C 100 45.000 45.564 -0.564 1 1 1050 . 4 1 1 A 100 100 GLY N N 100 112.100 112.838 -0.738 1 1 1051 . 4 1 1 A 101 101 VAL H H 101 8.030 8.087 -0.057 1 1 1052 . 4 1 1 A 101 101 VAL HA H 101 4.680 4.435 0.245 1 1 1060 . 4 1 1 A 101 101 VAL C C 101 174.500 174.837 -0.337 1 1 1061 . 4 1 1 A 101 101 VAL CA C 101 61.300 60.965 0.335 1 1 1062 . 4 1 1 A 101 101 VAL CB C 101 34.900 32.867 2.033 1 1 1065 . 4 1 1 A 101 101 VAL N N 101 120.000 120.819 -0.819 1 1 1066 . 4 1 1 A 102 102 GLN H H 102 9.150 8.535 0.615 1 1 1067 . 4 1 1 A 102 102 GLN HA H 102 4.700 4.833 -0.133 1 1 1074 . 4 1 1 A 102 102 GLN C C 102 173.600 174.757 -1.157 1 1 1075 . 4 1 1 A 102 102 GLN CA C 102 54.100 54.279 -0.179 1 1 1076 . 4 1 1 A 102 102 GLN CB C 102 34.200 31.926 2.274 1 1 1078 . 4 1 1 A 102 102 GLN N N 102 124.500 125.153 -0.653 1 1 1080 . 4 1 1 A 103 103 ILE H H 103 9.560 8.647 0.913 1 1 1081 . 4 1 1 A 103 103 ILE HA H 103 4.440 4.825 -0.385 1 1 1091 . 4 1 1 A 103 103 ILE C C 103 174.000 174.583 -0.583 1 1 1092 . 4 1 1 A 103 103 ILE CA C 103 60.800 60.294 0.506 1 1 1093 . 4 1 1 A 103 103 ILE CB C 103 39.600 40.691 -1.091 1 1 1097 . 4 1 1 A 103 103 ILE N N 103 123.600 120.691 2.909 1 1 1098 . 4 1 1 A 104 104 LEU H H 104 9.380 9.042 0.338 1 1 1099 . 4 1 1 A 104 104 LEU HA H 104 5.320 5.187 0.133 1 1 1109 . 4 1 1 A 104 104 LEU C C 104 177.700 176.374 1.326 1 1 1110 . 4 1 1 A 104 104 LEU CA C 104 52.500 53.502 -1.002 1 1 1111 . 4 1 1 A 104 104 LEU CB C 104 43.900 44.897 -0.997 1 1 1115 . 4 1 1 A 104 104 LEU N N 104 125.000 127.645 -2.645 1 1 1116 . 4 1 1 A 105 105 ASP H H 105 8.200 8.948 -0.748 1 1 1117 . 4 1 1 A 105 105 ASP HA H 105 4.960 4.258 0.702 1 1 1120 . 4 1 1 A 105 105 ASP C C 105 179.000 177.818 1.182 1 1 1121 . 4 1 1 A 105 105 ASP CA C 105 52.000 55.122 -3.122 1 1 1122 . 4 1 1 A 105 105 ASP CB C 105 42.700 40.597 2.103 1 1 1123 . 4 1 1 A 105 105 ASP N N 105 117.900 123.497 -5.597 1 1 1124 . 4 1 1 A 106 106 ARG H H 106 8.680 7.892 0.788 1 1 1125 . 4 1 1 A 106 106 ARG HA H 106 4.040 4.218 -0.178 1 1 1131 . 4 1 1 A 106 106 ARG C C 106 177.000 178.070 -1.070 1 1 1132 . 4 1 1 A 106 106 ARG CA C 106 58.300 57.604 0.696 1 1 1133 . 4 1 1 A 106 106 ARG CB C 106 29.300 30.878 -1.578 1 1 1136 . 4 1 1 A 106 106 ARG N N 106 117.500 119.266 -1.766 1 1 1138 . 4 1 1 A 107 107 THR H H 107 8.180 7.911 0.269 1 1 1139 . 4 1 1 A 107 107 THR HA H 107 4.380 4.330 0.050 1 1 1144 . 4 1 1 A 107 107 THR C C 107 175.800 175.607 0.193 1 1 1145 . 4 1 1 A 107 107 THR CA C 107 62.100 62.571 -0.471 1 1 1146 . 4 1 1 A 107 107 THR CB C 107 70.200 69.869 0.331 1 1 1148 . 4 1 1 A 107 107 THR N N 107 111.000 109.064 1.936 1 1 1149 . 4 1 1 A 108 108 GLY H H 108 8.250 7.802 0.448 1 1 1150 . 4 1 1 A 108 108 GLY HA2 H 108 3.460 3.969 -0.509 1 1 1151 . 4 1 1 A 108 108 GLY HA3 H 108 4.310 3.973 0.337 1 1 1152 . 4 1 1 A 108 108 GLY C C 108 172.600 174.895 -2.295 1 1 1153 . 4 1 1 A 108 108 GLY CA C 108 45.000 46.246 -1.246 1 1 1154 . 4 1 1 A 108 108 GLY N N 108 109.900 111.209 -1.309 1 1 1155 . 4 1 1 A 109 109 ALA H H 109 7.380 8.015 -0.635 1 1 1156 . 4 1 1 A 109 109 ALA HA H 109 4.280 4.333 -0.053 1 1 1160 . 4 1 1 A 109 109 ALA C C 109 176.300 177.001 -0.701 1 1 1161 . 4 1 1 A 109 109 ALA CA C 109 51.500 52.352 -0.852 1 1 1162 . 4 1 1 A 109 109 ALA CB C 109 19.800 19.835 -0.035 1 1 1163 . 4 1 1 A 109 109 ALA N N 109 123.700 123.413 0.287 1 1 1164 . 4 1 1 A 110 110 ALA H H 110 8.240 8.561 -0.321 1 1 1165 . 4 1 1 A 110 110 ALA HA H 110 4.710 5.046 -0.336 1 1 1169 . 4 1 1 A 110 110 ALA C C 110 178.500 176.102 2.398 1 1 1170 . 4 1 1 A 110 110 ALA CA C 110 51.500 50.364 1.136 1 1 1171 . 4 1 1 A 110 110 ALA CB C 110 18.800 20.554 -1.754 1 1 1172 . 4 1 1 A 110 110 ALA N N 110 123.400 123.351 0.049 1 1 1173 . 4 1 1 A 111 111 LEU H H 111 8.880 9.231 -0.351 1 1 1174 . 4 1 1 A 111 111 LEU HA H 111 4.480 4.881 -0.401 1 1 1184 . 4 1 1 A 111 111 LEU C C 111 176.900 176.427 0.473 1 1 1185 . 4 1 1 A 111 111 LEU CA C 111 54.500 53.608 0.892 1 1 1186 . 4 1 1 A 111 111 LEU CB C 111 42.400 42.956 -0.556 1 1 1190 . 4 1 1 A 111 111 LEU N N 111 125.900 123.789 2.111 1 1 1191 . 4 1 1 A 112 112 THR H H 112 7.980 8.865 -0.885 1 1 1192 . 4 1 1 A 112 112 THR HA H 112 3.940 4.441 -0.501 1 1 1197 . 4 1 1 A 112 112 THR C C 112 174.700 174.763 -0.063 1 1 1198 . 4 1 1 A 112 112 THR CA C 112 63.600 62.370 1.230 1 1 1199 . 4 1 1 A 112 112 THR CB C 112 69.100 69.692 -0.592 1 1 1201 . 4 1 1 A 112 112 THR N N 112 114.300 120.159 -5.859 1 1 1202 . 4 1 1 A 113 113 LEU H H 113 7.460 8.779 -1.319 1 1 1203 . 4 1 1 A 113 113 LEU HA H 113 4.860 4.953 -0.093 1 1 1213 . 4 1 1 A 113 113 LEU C C 113 177.000 176.764 0.236 1 1 1214 . 4 1 1 A 113 113 LEU CA C 113 54.700 54.089 0.611 1 1 1215 . 4 1 1 A 113 113 LEU CB C 113 42.100 42.226 -0.126 1 1 1219 . 4 1 1 A 113 113 LEU N N 113 124.600 124.492 0.108 1 1 1220 . 4 1 1 A 114 114 ASP H H 114 7.680 7.934 -0.254 1 1 1221 . 4 1 1 A 114 114 ASP HA H 114 4.640 4.789 -0.149 1 1 1224 . 4 1 1 A 114 114 ASP C C 114 178.100 176.669 1.431 1 1 1225 . 4 1 1 A 114 114 ASP CA C 114 53.600 53.703 -0.103 1 1 1226 . 4 1 1 A 114 114 ASP CB C 114 41.400 41.872 -0.472 1 1 1227 . 4 1 1 A 114 114 ASP N N 114 116.100 119.625 -3.525 1 1 1228 . 4 1 1 A 115 115 GLY H H 115 8.730 8.183 0.547 1 1 1229 . 4 1 1 A 115 115 GLY HA2 H 115 3.920 3.976 -0.056 1 1 1230 . 4 1 1 A 115 115 GLY HA3 H 115 3.190 3.978 -0.788 1 1 1231 . 4 1 1 A 115 115 GLY C C 115 172.400 174.504 -2.104 1 1 1232 . 4 1 1 A 115 115 GLY CA C 115 46.500 45.747 0.753 1 1 1233 . 4 1 1 A 115 115 GLY N N 115 110.200 107.771 2.429 1 1 1234 . 4 1 1 A 116 116 ALA H H 116 7.930 7.766 0.164 1 1 1235 . 4 1 1 A 116 116 ALA HA H 116 4.380 4.471 -0.091 1 1 1239 . 4 1 1 A 116 116 ALA C C 116 176.100 177.280 -1.180 1 1 1240 . 4 1 1 A 116 116 ALA CA C 116 51.300 51.575 -0.275 1 1 1241 . 4 1 1 A 116 116 ALA CB C 116 20.700 20.380 0.320 1 1 1242 . 4 1 1 A 116 116 ALA N N 116 120.900 121.731 -0.831 1 1 1243 . 4 1 1 A 117 117 THR H H 117 7.720 7.550 0.170 1 1 1244 . 4 1 1 A 117 117 THR HA H 117 4.400 4.204 0.196 1 1 1249 . 4 1 1 A 117 117 THR C C 117 173.700 174.157 -0.457 1 1 1250 . 4 1 1 A 117 117 THR CA C 117 62.000 63.197 -1.197 1 1 1251 . 4 1 1 A 117 117 THR CB C 117 68.400 68.515 -0.115 1 1 1253 . 4 1 1 A 117 117 THR N N 117 118.200 115.738 2.462 1 1 1254 . 4 1 1 A 118 118 PHE H H 118 8.880 8.360 0.520 1 1 1255 . 4 1 1 A 118 118 PHE HA H 118 4.280 4.434 -0.154 1 1 1256 . 4 1 1 A 118 118 PHE C C 118 176.400 175.770 0.630 1 1 1257 . 4 1 1 A 118 118 PHE CA C 118 59.000 58.133 0.867 1 1 1258 . 4 1 1 A 118 118 PHE CB C 118 40.300 39.398 0.902 1 1 1259 . 4 1 1 A 118 118 PHE N N 118 126.400 126.439 -0.039 1 1 1260 . 4 1 1 A 119 119 SER H H 119 9.240 9.273 -0.033 1 1 1261 . 4 1 1 A 119 119 SER HA H 119 4.570 4.572 -0.002 1 1 1264 . 4 1 1 A 119 119 SER C C 119 172.700 174.131 -1.431 1 1 1265 . 4 1 1 A 119 119 SER CA C 119 58.100 57.844 0.256 1 1 1266 . 4 1 1 A 119 119 SER CB C 119 66.400 64.479 1.921 1 1 1267 . 4 1 1 A 119 119 SER N N 119 116.900 120.946 -4.046 1 1 1268 . 4 1 1 A 120 120 SER H H 120 9.030 8.937 0.093 1 1 1269 . 4 1 1 A 120 120 SER HA H 120 4.220 4.629 -0.409 1 1 1272 . 4 1 1 A 120 120 SER C C 120 175.800 174.036 1.764 1 1 1273 . 4 1 1 A 120 120 SER CA C 120 59.500 58.392 1.108 1 1 1274 . 4 1 1 A 120 120 SER CB C 120 62.800 63.740 -0.940 1 1 1275 . 4 1 1 A 120 120 SER N N 120 113.500 118.181 -4.681 1 1 1276 . 4 1 1 A 121 121 GLU H H 121 8.890 8.608 0.282 1 1 1277 . 4 1 1 A 121 121 GLU HA H 121 4.440 4.946 -0.506 1 1 1282 . 4 1 1 A 121 121 GLU C C 121 177.300 175.550 1.750 1 1 1283 . 4 1 1 A 121 121 GLU CA C 121 57.400 56.327 1.073 1 1 1284 . 4 1 1 A 121 121 GLU CB C 121 30.600 30.472 0.128 1 1 1286 . 4 1 1 A 121 121 GLU N N 121 123.700 126.061 -2.361 1 1 1287 . 4 1 1 A 122 122 THR H H 122 9.370 8.692 0.678 1 1 1288 . 4 1 1 A 122 122 THR HA H 122 4.530 4.742 -0.212 1 1 1293 . 4 1 1 A 122 122 THR C C 122 173.900 174.432 -0.532 1 1 1294 . 4 1 1 A 122 122 THR CA C 122 62.500 62.351 0.149 1 1 1295 . 4 1 1 A 122 122 THR CB C 122 72.000 69.197 2.803 1 1 1297 . 4 1 1 A 122 122 THR N N 122 122.600 121.459 1.141 1 1 1298 . 4 1 1 A 123 123 THR H H 123 8.930 8.828 0.102 1 1 1299 . 4 1 1 A 123 123 THR HA H 123 4.400 4.249 0.151 1 1 1304 . 4 1 1 A 123 123 THR C C 123 173.900 174.355 -0.455 1 1 1305 . 4 1 1 A 123 123 THR CA C 123 63.500 64.001 -0.501 1 1 1306 . 4 1 1 A 123 123 THR CB C 123 68.700 68.974 -0.274 1 1 1308 . 4 1 1 A 123 123 THR N N 123 124.900 121.692 3.208 1 1 1309 . 4 1 1 A 124 124 LEU H H 124 8.360 8.936 -0.576 1 1 1310 . 4 1 1 A 124 124 LEU HA H 124 4.240 4.789 -0.549 1 1 1320 . 4 1 1 A 124 124 LEU C C 124 176.400 175.268 1.132 1 1 1321 . 4 1 1 A 124 124 LEU CA C 124 54.300 53.847 0.453 1 1 1322 . 4 1 1 A 124 124 LEU CB C 124 43.300 42.737 0.563 1 1 1326 . 4 1 1 A 124 124 LEU N N 124 127.700 127.030 0.670 1 1 1327 . 4 1 1 A 125 125 ASN H H 125 8.950 8.911 0.039 1 1 1328 . 4 1 1 A 125 125 ASN HA H 125 4.930 5.196 -0.266 1 1 1333 . 4 1 1 A 125 125 ASN C C 125 175.800 173.711 2.089 1 1 1334 . 4 1 1 A 125 125 ASN CA C 125 51.100 51.884 -0.784 1 1 1335 . 4 1 1 A 125 125 ASN CB C 125 41.800 41.841 -0.041 1 1 1336 . 4 1 1 A 125 125 ASN N N 125 117.400 116.165 1.235 1 1 1338 . 4 1 1 A 126 126 ASN H H 126 8.890 8.791 0.099 1 1 1339 . 4 1 1 A 126 126 ASN HA H 126 4.640 5.040 -0.400 1 1 1344 . 4 1 1 A 126 126 ASN C C 126 177.400 175.126 2.274 1 1 1345 . 4 1 1 A 126 126 ASN CA C 126 54.500 54.233 0.267 1 1 1346 . 4 1 1 A 126 126 ASN CB C 126 38.200 38.168 0.032 1 1 1347 . 4 1 1 A 126 126 ASN N N 126 120.300 119.166 1.134 1 1 1349 . 4 1 1 A 127 127 GLY H H 127 9.090 8.231 0.859 1 1 1350 . 4 1 1 A 127 127 GLY HA2 H 127 3.650 4.015 -0.365 1 1 1351 . 4 1 1 A 127 127 GLY HA3 H 127 4.400 4.017 0.383 1 1 1352 . 4 1 1 A 127 127 GLY CA C 127 45.600 44.149 1.451 1 1 1353 . 4 1 1 A 127 127 GLY N N 127 112.300 109.296 3.004 1 1 1354 . 4 1 1 A 128 128 THR H H 128 8.870 8.386 0.484 1 1 1355 . 4 1 1 A 128 128 THR HA H 128 5.270 4.766 0.504 1 1 1360 . 4 1 1 A 128 128 THR C C 128 175.700 174.314 1.386 1 1 1361 . 4 1 1 A 128 128 THR CA C 128 63.500 63.126 0.374 1 1 1362 . 4 1 1 A 128 128 THR CB C 128 69.600 69.420 0.180 1 1 1364 . 4 1 1 A 128 128 THR N N 128 123.700 116.962 6.738 1 1 1365 . 4 1 1 A 129 129 ASN H H 129 10.060 8.872 1.188 1 1 1366 . 4 1 1 A 129 129 ASN HA H 129 5.070 5.347 -0.277 1 1 1371 . 4 1 1 A 129 129 ASN C C 129 172.700 173.339 -0.639 1 1 1372 . 4 1 1 A 129 129 ASN CA C 129 52.700 52.166 0.534 1 1 1373 . 4 1 1 A 129 129 ASN CB C 129 44.400 41.999 2.401 1 1 1374 . 4 1 1 A 129 129 ASN N N 129 125.700 122.361 3.339 1 1 1376 . 4 1 1 A 130 130 THR H H 130 9.030 8.714 0.316 1 1 1377 . 4 1 1 A 130 130 THR HA H 130 4.790 5.021 -0.231 1 1 1382 . 4 1 1 A 130 130 THR C C 130 172.900 173.224 -0.324 1 1 1383 . 4 1 1 A 130 130 THR CA C 130 61.800 60.990 0.810 1 1 1384 . 4 1 1 A 130 130 THR CB C 130 70.100 72.436 -2.336 1 1 1386 . 4 1 1 A 130 130 THR N N 130 117.800 112.850 4.950 1 1 1387 . 4 1 1 A 131 131 ILE H H 131 9.050 8.605 0.445 1 1 1388 . 4 1 1 A 131 131 ILE HA H 131 4.480 4.532 -0.052 1 1 1398 . 4 1 1 A 131 131 ILE CA C 131 58.300 58.029 0.271 1 1 1399 . 4 1 1 A 131 131 ILE CB C 131 39.600 38.655 0.945 1 1 1403 . 4 1 1 A 131 131 ILE N N 131 128.200 125.233 2.967 1 1 1404 . 4 1 1 A 132 132 PRO HA H 132 4.940 4.793 0.147 1 1 1409 . 4 1 1 A 132 132 PRO C C 132 175.200 176.233 -1.033 1 1 1410 . 4 1 1 A 132 132 PRO CA C 132 62.200 62.304 -0.104 1 1 1411 . 4 1 1 A 132 132 PRO CB C 132 32.900 31.873 1.027 1 1 1414 . 4 1 1 A 133 133 PHE H H 133 8.460 8.760 -0.300 1 1 1415 . 4 1 1 A 133 133 PHE HA H 133 4.530 4.726 -0.196 1 1 1418 . 4 1 1 A 133 133 PHE C C 133 175.600 175.441 0.159 1 1 1419 . 4 1 1 A 133 133 PHE CA C 133 57.000 57.236 -0.236 1 1 1420 . 4 1 1 A 133 133 PHE CB C 133 45.000 39.972 5.028 1 1 1424 . 4 1 1 A 133 133 PHE N N 133 117.000 122.732 -5.732 1 1 1425 . 4 1 1 A 134 134 GLN H H 134 8.830 9.257 -0.427 1 1 1426 . 4 1 1 A 134 134 GLN HA H 134 5.490 5.348 0.142 1 1 1431 . 4 1 1 A 134 134 GLN C C 134 174.500 174.791 -0.291 1 1 1432 . 4 1 1 A 134 134 GLN CA C 134 54.200 54.305 -0.105 1 1 1433 . 4 1 1 A 134 134 GLN CB C 134 35.000 31.223 3.777 1 1 1435 . 4 1 1 A 134 134 GLN N N 134 117.300 119.102 -1.802 1 1 1437 . 4 1 1 A 135 135 ALA H H 135 9.280 9.614 -0.334 1 1 1438 . 4 1 1 A 135 135 ALA HA H 135 5.620 5.426 0.194 1 1 1442 . 4 1 1 A 135 135 ALA C C 135 174.900 176.333 -1.433 1 1 1443 . 4 1 1 A 135 135 ALA CA C 135 50.500 50.434 0.066 1 1 1444 . 4 1 1 A 135 135 ALA CB C 135 25.000 21.724 3.276 1 1 1445 . 4 1 1 A 135 135 ALA N N 135 121.800 128.605 -6.805 1 1 1446 . 4 1 1 A 136 136 ARG H H 136 8.380 8.369 0.011 1 1 1447 . 4 1 1 A 136 136 ARG HA H 136 4.520 4.933 -0.413 1 1 1453 . 4 1 1 A 136 136 ARG C C 136 173.600 174.185 -0.585 1 1 1454 . 4 1 1 A 136 136 ARG CA C 136 53.900 54.385 -0.485 1 1 1455 . 4 1 1 A 136 136 ARG CB C 136 33.400 33.809 -0.409 1 1 1457 . 4 1 1 A 136 136 ARG N N 136 113.300 119.755 -6.455 1 1 1459 . 4 1 1 A 137 137 TYR H H 137 8.550 8.801 -0.251 1 1 1460 . 4 1 1 A 137 137 TYR HA H 137 5.360 4.783 0.577 1 1 1463 . 4 1 1 A 137 137 TYR C C 137 175.500 175.267 0.233 1 1 1464 . 4 1 1 A 137 137 TYR CA C 137 58.300 58.567 -0.267 1 1 1465 . 4 1 1 A 137 137 TYR CB C 137 39.900 38.547 1.353 1 1 1468 . 4 1 1 A 137 137 TYR N N 137 118.500 122.020 -3.520 1 1 1469 . 4 1 1 A 138 138 PHE H H 138 8.870 8.434 0.436 1 1 1470 . 4 1 1 A 138 138 PHE HA H 138 4.920 5.137 -0.217 1 1 1474 . 4 1 1 A 138 138 PHE C C 138 173.600 174.245 -0.645 1 1 1475 . 4 1 1 A 138 138 PHE CA C 138 56.400 56.755 -0.355 1 1 1476 . 4 1 1 A 138 138 PHE CB C 138 44.100 41.603 2.497 1 1 1480 . 4 1 1 A 138 138 PHE N N 138 122.300 125.369 -3.069 1 1 1481 . 4 1 1 A 139 139 ALA H H 139 8.730 8.690 0.040 1 1 1482 . 4 1 1 A 139 139 ALA HA H 139 5.040 4.723 0.317 1 1 1486 . 4 1 1 A 139 139 ALA C C 139 176.200 178.787 -2.587 1 1 1487 . 4 1 1 A 139 139 ALA CA C 139 51.000 51.201 -0.201 1 1 1488 . 4 1 1 A 139 139 ALA CB C 139 19.700 19.833 -0.133 1 1 1489 . 4 1 1 A 139 139 ALA N N 139 131.200 129.841 1.359 1 1 1490 . 4 1 1 A 140 140 THR H H 140 8.230 9.099 -0.869 1 1 1491 . 4 1 1 A 140 140 THR HA H 140 4.260 4.553 -0.293 1 1 1496 . 4 1 1 A 140 140 THR C C 140 173.800 173.872 -0.072 1 1 1497 . 4 1 1 A 140 140 THR CA C 140 60.800 61.632 -0.832 1 1 1498 . 4 1 1 A 140 140 THR CB C 140 67.100 69.104 -2.004 1 1 1500 . 4 1 1 A 140 140 THR N N 140 111.900 111.879 0.021 1 1 1501 . 4 1 1 A 141 141 GLY H H 141 7.450 7.208 0.242 1 1 1502 . 4 1 1 A 141 141 GLY HA2 H 141 3.620 4.028 -0.408 1 1 1503 . 4 1 1 A 141 141 GLY HA3 H 141 3.710 4.043 -0.333 1 1 1504 . 4 1 1 A 141 141 GLY C C 141 169.500 171.863 -2.363 1 1 1505 . 4 1 1 A 141 141 GLY CA C 141 44.300 45.760 -1.460 1 1 1506 . 4 1 1 A 141 141 GLY N N 141 110.300 109.300 1.000 1 1 1507 . 4 1 1 A 142 142 ALA H H 142 8.280 8.123 0.157 1 1 1508 . 4 1 1 A 142 142 ALA HA H 142 4.260 4.270 -0.010 1 1 1512 . 4 1 1 A 142 142 ALA C C 142 177.200 176.856 0.344 1 1 1513 . 4 1 1 A 142 142 ALA CA C 142 52.100 51.974 0.126 1 1 1514 . 4 1 1 A 142 142 ALA CB C 142 17.200 18.206 -1.006 1 1 1515 . 4 1 1 A 142 142 ALA N N 142 121.800 124.360 -2.560 1 1 1516 . 4 1 1 A 143 143 ALA H H 143 8.520 8.183 0.337 1 1 1517 . 4 1 1 A 143 143 ALA HA H 143 4.670 4.601 0.069 1 1 1521 . 4 1 1 A 143 143 ALA C C 143 178.100 177.789 0.311 1 1 1522 . 4 1 1 A 143 143 ALA CA C 143 52.500 52.288 0.212 1 1 1523 . 4 1 1 A 143 143 ALA CB C 143 21.200 19.392 1.808 1 1 1524 . 4 1 1 A 143 143 ALA N N 143 130.000 124.955 5.045 1 1 1525 . 4 1 1 A 144 144 THR H H 144 7.590 8.311 -0.721 1 1 1526 . 4 1 1 A 144 144 THR HA H 144 4.710 4.941 -0.231 1 1 1531 . 4 1 1 A 144 144 THR CA C 144 58.200 58.455 -0.255 1 1 1532 . 4 1 1 A 144 144 THR CB C 144 68.100 69.647 -1.547 1 1 1534 . 4 1 1 A 144 144 THR N N 144 110.000 112.478 -2.478 1 1 1535 . 4 1 1 A 145 145 PRO HA H 145 4.020 4.618 -0.598 1 1 1542 . 4 1 1 A 145 145 PRO C C 145 176.700 175.770 0.930 1 1 1543 . 4 1 1 A 145 145 PRO CA C 145 62.600 62.965 -0.365 1 1 1544 . 4 1 1 A 145 145 PRO CB C 145 33.000 33.415 -0.415 1 1 1547 . 4 1 1 A 146 146 GLY H H 146 8.850 8.109 0.741 1 1 1548 . 4 1 1 A 146 146 GLY HA2 H 146 3.790 4.177 -0.387 1 1 1549 . 4 1 1 A 146 146 GLY HA3 H 146 4.360 4.180 0.180 1 1 1550 . 4 1 1 A 146 146 GLY C C 146 172.500 172.015 0.485 1 1 1551 . 4 1 1 A 146 146 GLY CA C 146 44.200 45.568 -1.368 1 1 1552 . 4 1 1 A 146 146 GLY N N 146 107.700 108.275 -0.575 1 1 1553 . 4 1 1 A 147 147 ALA H H 147 8.360 8.113 0.247 1 1 1554 . 4 1 1 A 147 147 ALA HA H 147 4.160 4.766 -0.606 1 1 1558 . 4 1 1 A 147 147 ALA C C 147 177.900 177.206 0.694 1 1 1559 . 4 1 1 A 147 147 ALA CA C 147 54.200 51.065 3.135 1 1 1560 . 4 1 1 A 147 147 ALA CB C 147 19.400 20.830 -1.430 1 1 1561 . 4 1 1 A 147 147 ALA N N 147 122.500 125.753 -3.253 1 1 1562 . 4 1 1 A 148 148 ALA H H 148 8.660 8.390 0.270 1 1 1563 . 4 1 1 A 148 148 ALA HA H 148 4.940 4.827 0.113 1 1 1567 . 4 1 1 A 148 148 ALA C C 148 173.800 175.962 -2.162 1 1 1568 . 4 1 1 A 148 148 ALA CA C 148 51.200 51.179 0.021 1 1 1569 . 4 1 1 A 148 148 ALA CB C 148 18.300 19.461 -1.161 1 1 1570 . 4 1 1 A 148 148 ALA N N 148 129.300 121.442 7.858 1 1 1571 . 4 1 1 A 149 149 ASN H H 149 8.820 9.042 -0.222 1 1 1572 . 4 1 1 A 149 149 ASN HA H 149 5.640 5.806 -0.166 1 1 1577 . 4 1 1 A 149 149 ASN C C 149 174.400 174.447 -0.047 1 1 1578 . 4 1 1 A 149 149 ASN CA C 149 51.300 52.028 -0.728 1 1 1579 . 4 1 1 A 149 149 ASN CB C 149 40.400 42.462 -2.062 1 1 1580 . 4 1 1 A 149 149 ASN N N 149 121.200 121.399 -0.199 1 1 1582 . 4 1 1 A 150 150 ALA H H 150 9.100 9.254 -0.154 1 1 1583 . 4 1 1 A 150 150 ALA HA H 150 4.890 5.021 -0.131 1 1 1587 . 4 1 1 A 150 150 ALA C C 150 174.600 175.083 -0.483 1 1 1588 . 4 1 1 A 150 150 ALA CA C 150 52.200 51.203 0.997 1 1 1589 . 4 1 1 A 150 150 ALA CB C 150 25.100 24.425 0.675 1 1 1590 . 4 1 1 A 150 150 ALA N N 150 122.600 122.130 0.470 1 1 1591 . 4 1 1 A 151 151 ASP H H 151 9.010 8.938 0.072 1 1 1592 . 4 1 1 A 151 151 ASP HA H 151 5.870 5.521 0.349 1 1 1595 . 4 1 1 A 151 151 ASP C C 151 174.100 174.389 -0.289 1 1 1596 . 4 1 1 A 151 151 ASP CA C 151 53.400 52.873 0.527 1 1 1597 . 4 1 1 A 151 151 ASP CB C 151 45.300 43.448 1.852 1 1 1598 . 4 1 1 A 151 151 ASP N N 151 120.000 117.214 2.786 1 1 1599 . 4 1 1 A 152 152 ALA H H 152 8.870 9.003 -0.133 1 1 1600 . 4 1 1 A 152 152 ALA HA H 152 5.160 5.522 -0.362 1 1 1604 . 4 1 1 A 152 152 ALA C C 152 176.400 176.884 -0.484 1 1 1605 . 4 1 1 A 152 152 ALA CA C 152 51.200 50.157 1.043 1 1 1606 . 4 1 1 A 152 152 ALA CB C 152 23.400 22.753 0.647 1 1 1607 . 4 1 1 A 152 152 ALA N N 152 120.700 126.497 -5.797 1 1 1608 . 4 1 1 A 153 153 THR H H 153 8.830 8.599 0.231 1 1 1609 . 4 1 1 A 153 153 THR HA H 153 5.350 5.082 0.268 1 1 1614 . 4 1 1 A 153 153 THR C C 153 173.900 174.381 -0.481 1 1 1615 . 4 1 1 A 153 153 THR CA C 153 60.100 59.913 0.187 1 1 1616 . 4 1 1 A 153 153 THR CB C 153 71.900 71.287 0.613 1 1 1618 . 4 1 1 A 153 153 THR N N 153 111.300 110.533 0.767 1 1 1619 . 4 1 1 A 154 154 PHE H H 154 8.460 8.930 -0.470 1 1 1620 . 4 1 1 A 154 154 PHE HA H 154 5.760 5.579 0.181 1 1 1621 . 4 1 1 A 154 154 PHE C C 154 174.500 174.009 0.491 1 1 1622 . 4 1 1 A 154 154 PHE CA C 154 55.600 54.654 0.946 1 1 1623 . 4 1 1 A 154 154 PHE CB C 154 42.300 41.888 0.412 1 1 1625 . 4 1 1 A 154 154 PHE N N 154 114.500 117.514 -3.014 1 1 1626 . 4 1 1 A 155 155 LYS H H 155 8.780 8.684 0.096 1 1 1627 . 4 1 1 A 155 155 LYS HA H 155 4.810 4.705 0.105 1 1 1632 . 4 1 1 A 155 155 LYS C C 155 174.800 175.942 -1.142 1 1 1633 . 4 1 1 A 155 155 LYS CA C 155 54.600 54.362 0.238 1 1 1634 . 4 1 1 A 155 155 LYS CB C 155 36.800 36.056 0.744 1 1 1638 . 4 1 1 A 155 155 LYS N N 155 120.700 119.308 1.392 1 1 1639 . 4 1 1 A 156 156 VAL H H 156 8.690 8.804 -0.114 1 1 1640 . 4 1 1 A 156 156 VAL HA H 156 4.840 4.586 0.254 1 1 1648 . 4 1 1 A 156 156 VAL C C 156 173.200 174.330 -1.130 1 1 1649 . 4 1 1 A 156 156 VAL CA C 156 60.900 61.644 -0.744 1 1 1650 . 4 1 1 A 156 156 VAL CB C 156 34.100 34.239 -0.139 1 1 1653 . 4 1 1 A 156 156 VAL N N 156 120.300 120.722 -0.422 1 1 1654 . 4 1 1 A 157 157 GLN H H 157 9.040 9.044 -0.004 1 1 1655 . 4 1 1 A 157 157 GLN HA H 157 5.130 4.850 0.280 1 1 1662 . 4 1 1 A 157 157 GLN C C 157 174.300 174.244 0.056 1 1 1663 . 4 1 1 A 157 157 GLN CA C 157 53.500 54.402 -0.902 1 1 1664 . 4 1 1 A 157 157 GLN CB C 157 34.500 28.997 5.503 1 1 1666 . 4 1 1 A 157 157 GLN N N 157 126.200 128.508 -2.308 1 1 1668 . 4 1 1 A 158 158 TYR H H 158 9.130 8.803 0.327 1 1 1669 . 4 1 1 A 158 158 TYR HA H 158 5.310 4.823 0.487 1 1 1672 . 4 1 1 A 158 158 TYR C C 158 175.800 175.803 -0.003 1 1 1673 . 4 1 1 A 158 158 TYR CA C 158 56.800 58.863 -2.063 1 1 1674 . 4 1 1 A 158 158 TYR CB C 158 40.600 39.806 0.794 1 1 1677 . 4 1 1 A 158 158 TYR N N 158 126.400 126.701 -0.301 1 1 1678 . 4 1 1 A 159 159 GLN H H 159 8.580 8.397 0.183 1 1 1679 . 4 1 1 A 159 159 GLN HA H 159 4.890 4.854 0.036 1 1 1686 . 4 1 1 A 159 159 GLN C C 159 175.800 174.180 1.620 1 1 1687 . 4 1 1 A 159 159 GLN CA C 159 54.800 54.752 0.048 1 1 1688 . 4 1 1 A 159 159 GLN CB C 159 32.500 31.645 0.855 1 1 1690 . 4 1 1 A 159 159 GLN N N 159 119.700 119.020 0.680 1 1 1692 . 4 1 1 A 160 160 GLY H H 160 8.740 8.346 0.394 1 1 1693 . 4 1 1 A 160 160 GLY HA2 H 160 4.120 4.076 0.044 1 1 1694 . 4 1 1 A 160 160 GLY HA3 H 160 4.180 4.089 0.091 1 1 1695 . 4 1 1 A 160 160 GLY C C 160 174.800 174.584 0.216 1 1 1696 . 4 1 1 A 160 160 GLY CA C 160 45.400 45.758 -0.358 1 1 1697 . 4 1 1 A 160 160 GLY N N 160 109.800 106.295 3.505 1 1 1698 . 4 1 1 A 161 161 GLY H H 161 8.560 7.900 0.660 1 1 1699 . 4 1 1 A 161 161 GLY C C 161 175.300 174.443 0.857 1 1 1700 . 4 1 1 A 161 161 GLY CA C 161 45.100 45.203 -0.103 1 1 1701 . 4 1 1 A 161 161 GLY N N 161 109.200 109.078 0.122 1 1 1702 . 4 1 1 A 162 162 GLY H H 162 8.480 8.607 -0.127 1 1 1703 . 4 1 1 A 162 162 GLY HA2 H 162 4.040 4.172 -0.132 1 1 1704 . 4 1 1 A 162 162 GLY HA3 H 162 3.910 4.174 -0.264 1 1 1705 . 4 1 1 A 162 162 GLY C C 162 175.400 175.365 0.035 1 1 1706 . 4 1 1 A 162 162 GLY CA C 162 45.800 44.316 1.484 1 1 1707 . 4 1 1 A 162 162 GLY N N 162 108.700 108.377 0.323 1 1 1708 . 4 1 1 A 163 163 GLY H H 163 8.500 9.003 -0.503 1 1 1709 . 4 1 1 A 163 163 GLY HA2 H 163 3.960 3.845 0.115 1 1 1710 . 4 1 1 A 163 163 GLY HA3 H 163 3.980 3.845 0.135 1 1 1711 . 4 1 1 A 163 163 GLY C C 163 175.400 175.220 0.180 1 1 1712 . 4 1 1 A 163 163 GLY CA C 163 45.700 46.962 -1.262 1 1 1713 . 4 1 1 A 163 163 GLY N N 163 109.000 108.255 0.745 1 1 1714 . 4 1 1 A 164 164 GLY H H 164 8.290 7.533 0.757 1 1 1715 . 4 1 1 A 164 164 GLY HA2 H 164 3.890 4.058 -0.168 1 1 1716 . 4 1 1 A 164 164 GLY HA3 H 164 3.980 4.061 -0.081 1 1 1717 . 4 1 1 A 164 164 GLY C C 164 175.100 173.536 1.564 1 1 1718 . 4 1 1 A 164 164 GLY CA C 164 45.700 45.380 0.320 1 1 1719 . 4 1 1 A 164 164 GLY N N 164 109.100 106.414 2.686 1 1 1720 . 4 1 1 A 165 165 GLY H H 165 8.210 7.464 0.746 1 1 1721 . 4 1 1 A 165 165 GLY HA2 H 165 3.950 4.067 -0.117 1 1 1722 . 4 1 1 A 165 165 GLY HA3 H 165 3.920 4.078 -0.158 1 1 1723 . 4 1 1 A 165 165 GLY C C 165 173.900 172.261 1.639 1 1 1724 . 4 1 1 A 165 165 GLY CA C 165 45.200 45.695 -0.495 1 1 1725 . 4 1 1 A 165 165 GLY N N 165 108.500 108.208 0.292 1 1 1726 . 4 1 1 A 166 166 ALA H H 166 8.110 8.733 -0.623 1 1 1727 . 4 1 1 A 166 166 ALA HA H 166 4.370 5.048 -0.678 1 1 1731 . 4 1 1 A 166 166 ALA C C 166 177.100 175.431 1.669 1 1 1732 . 4 1 1 A 166 166 ALA CA C 166 52.100 51.721 0.379 1 1 1733 . 4 1 1 A 166 166 ALA CB C 166 19.800 21.950 -2.150 1 1 1734 . 4 1 1 A 166 166 ALA N N 166 123.800 126.112 -2.312 1 1 1735 . 4 1 1 A 167 167 ALA H H 167 8.350 8.620 -0.270 1 1 1736 . 4 1 1 A 167 167 ALA HA H 167 4.840 5.013 -0.173 1 1 1740 . 4 1 1 A 167 167 ALA C C 167 177.800 175.112 2.688 1 1 1741 . 4 1 1 A 167 167 ALA CA C 167 51.900 51.369 0.531 1 1 1742 . 4 1 1 A 167 167 ALA CB C 167 20.000 23.685 -3.685 1 1 1743 . 4 1 1 A 167 167 ALA N N 167 123.800 121.896 1.904 1 1 1744 . 4 1 1 A 168 168 THR H H 168 8.580 8.888 -0.308 1 1 1745 . 4 1 1 A 168 168 THR HA H 168 4.600 5.008 -0.408 1 1 1750 . 4 1 1 A 168 168 THR C C 168 173.300 173.780 -0.480 1 1 1751 . 4 1 1 A 168 168 THR CA C 168 61.900 61.788 0.112 1 1 1752 . 4 1 1 A 168 168 THR CB C 168 71.300 71.047 0.253 1 1 1754 . 4 1 1 A 168 168 THR N N 168 117.900 114.767 3.133 1 1 1755 . 4 1 1 A 169 169 THR H H 169 8.710 8.854 -0.144 1 1 1756 . 4 1 1 A 169 169 THR HA H 169 5.300 4.870 0.430 1 1 1761 . 4 1 1 A 169 169 THR C C 169 174.300 174.619 -0.319 1 1 1762 . 4 1 1 A 169 169 THR CA C 169 61.700 62.731 -1.031 1 1 1763 . 4 1 1 A 169 169 THR CB C 169 70.000 68.761 1.239 1 1 1765 . 4 1 1 A 169 169 THR N N 169 122.400 123.260 -0.860 1 1 1766 . 4 1 1 A 170 170 VAL H H 170 9.280 8.608 0.672 1 1 1767 . 4 1 1 A 170 170 VAL HA H 170 4.770 4.555 0.215 1 1 1775 . 4 1 1 A 170 170 VAL C C 170 175.300 175.622 -0.322 1 1 1776 . 4 1 1 A 170 170 VAL CA C 170 59.000 60.735 -1.735 1 1 1777 . 4 1 1 A 170 170 VAL CB C 170 35.500 33.410 2.090 1 1 1780 . 4 1 1 A 170 170 VAL N N 170 120.400 122.711 -2.311 1 1 1781 . 4 1 1 A 171 171 ASN H H 171 8.770 8.638 0.132 1 1 1782 . 4 1 1 A 171 171 ASN HA H 171 4.470 4.451 0.019 1 1 1785 . 4 1 1 A 171 171 ASN C C 171 174.900 175.797 -0.897 1 1 1786 . 4 1 1 A 171 171 ASN CA C 171 54.700 53.732 0.968 1 1 1787 . 4 1 1 A 171 171 ASN CB C 171 38.200 38.964 -0.764 1 1 1788 . 4 1 1 A 171 171 ASN N N 171 121.100 121.229 -0.129 1 1 1790 . 4 1 1 A 172 172 GLY H H 172 8.390 8.131 0.259 1 1 1791 . 4 1 1 A 172 172 GLY HA2 H 172 2.980 2.780 0.200 1 1 1792 . 4 1 1 A 172 172 GLY HA3 H 172 3.970 3.579 0.391 1 1 1793 . 4 1 1 A 172 172 GLY C C 172 171.500 173.808 -2.308 1 1 1794 . 4 1 1 A 172 172 GLY CA C 172 46.000 45.942 0.058 1 1 1795 . 4 1 1 A 172 172 GLY N N 172 113.000 111.593 1.407 1 1 1796 . 4 1 1 A 173 173 GLY H H 173 5.960 6.255 -0.295 1 1 1797 . 4 1 1 A 173 173 GLY HA2 H 173 3.790 3.866 -0.076 1 1 1798 . 4 1 1 A 173 173 GLY HA3 H 173 4.110 3.892 0.218 1 1 1799 . 4 1 1 A 173 173 GLY C C 173 172.000 171.395 0.605 1 1 1800 . 4 1 1 A 173 173 GLY CA C 173 46.400 45.753 0.647 1 1 1801 . 4 1 1 A 173 173 GLY N N 173 106.500 103.717 2.783 1 1 1802 . 4 1 1 A 174 174 THR H H 174 8.600 8.672 -0.072 1 1 1803 . 4 1 1 A 174 174 THR HA H 174 4.890 5.127 -0.237 1 1 1808 . 4 1 1 A 174 174 THR C C 174 172.300 173.669 -1.369 1 1 1809 . 4 1 1 A 174 174 THR CA C 174 62.000 61.385 0.615 1 1 1810 . 4 1 1 A 174 174 THR CB C 174 71.400 70.917 0.483 1 1 1812 . 4 1 1 A 174 174 THR N N 174 118.800 116.688 2.112 1 1 1813 . 4 1 1 A 175 175 VAL H H 175 9.140 9.240 -0.100 1 1 1814 . 4 1 1 A 175 175 VAL HA H 175 4.150 4.310 -0.160 1 1 1822 . 4 1 1 A 175 175 VAL C C 175 172.500 174.564 -2.064 1 1 1823 . 4 1 1 A 175 175 VAL CA C 175 60.400 61.094 -0.694 1 1 1824 . 4 1 1 A 175 175 VAL CB C 175 33.800 32.434 1.366 1 1 1827 . 4 1 1 A 175 175 VAL N N 175 124.600 126.833 -2.233 1 1 1828 . 4 1 1 A 176 176 HIS H H 176 8.470 8.983 -0.513 1 1 1829 . 4 1 1 A 176 176 HIS HA H 176 5.170 4.696 0.474 1 1 1834 . 4 1 1 A 176 176 HIS C C 176 173.300 174.461 -1.161 1 1 1835 . 4 1 1 A 176 176 HIS CA C 176 53.000 54.772 -1.772 1 1 1836 . 4 1 1 A 176 176 HIS CB C 176 28.700 28.548 0.152 1 1 1839 . 4 1 1 A 176 176 HIS N N 176 123.100 126.155 -3.055 1 1 1840 . 4 1 1 A 177 177 PHE H H 177 9.650 8.785 0.865 1 1 1841 . 4 1 1 A 177 177 PHE HA H 177 5.160 4.516 0.644 1 1 1845 . 4 1 1 A 177 177 PHE C C 177 176.600 175.853 0.747 1 1 1846 . 4 1 1 A 177 177 PHE CA C 177 57.500 58.769 -1.269 1 1 1847 . 4 1 1 A 177 177 PHE CB C 177 39.600 38.982 0.618 1 1 1851 . 4 1 1 A 177 177 PHE N N 177 123.700 124.708 -1.008 1 1 1852 . 4 1 1 A 178 178 LYS H H 178 8.860 8.884 -0.024 1 1 1853 . 4 1 1 A 178 178 LYS HA H 178 5.600 5.173 0.427 1 1 1862 . 4 1 1 A 178 178 LYS C C 178 174.700 175.578 -0.878 1 1 1863 . 4 1 1 A 178 178 LYS CA C 178 54.200 54.827 -0.627 1 1 1864 . 4 1 1 A 178 178 LYS CB C 178 37.000 36.202 0.798 1 1 1868 . 4 1 1 A 178 178 LYS N N 178 124.000 122.814 1.186 1 1 1869 . 4 1 1 A 179 179 GLY H H 179 7.970 8.482 -0.512 1 1 1870 . 4 1 1 A 179 179 GLY HA2 H 179 4.010 4.274 -0.264 1 1 1871 . 4 1 1 A 179 179 GLY HA3 H 179 5.040 4.411 0.629 1 1 1872 . 4 1 1 A 179 179 GLY C C 179 172.900 171.521 1.379 1 1 1873 . 4 1 1 A 179 179 GLY CA C 179 46.600 44.790 1.810 1 1 1874 . 4 1 1 A 179 179 GLY N N 179 110.200 108.728 1.472 1 1 1875 . 4 1 1 A 180 180 GLU H H 180 8.470 8.714 -0.244 1 1 1876 . 4 1 1 A 180 180 GLU HA H 180 4.660 4.898 -0.238 1 1 1879 . 4 1 1 A 180 180 GLU C C 180 173.100 173.393 -0.293 1 1 1880 . 4 1 1 A 180 180 GLU CA C 180 55.600 55.067 0.533 1 1 1881 . 4 1 1 A 180 180 GLU CB C 180 34.200 32.788 1.412 1 1 1883 . 4 1 1 A 180 180 GLU N N 180 117.000 117.554 -0.554 1 1 1884 . 4 1 1 A 181 181 VAL H H 181 8.580 8.268 0.312 1 1 1885 . 4 1 1 A 181 181 VAL HA H 181 4.970 4.912 0.058 1 1 1893 . 4 1 1 A 181 181 VAL C C 181 177.100 175.203 1.897 1 1 1894 . 4 1 1 A 181 181 VAL CA C 181 60.200 60.633 -0.433 1 1 1895 . 4 1 1 A 181 181 VAL CB C 181 31.800 34.236 -2.436 1 1 1898 . 4 1 1 A 181 181 VAL N N 181 124.000 119.471 4.529 1 1 1899 . 4 1 1 A 182 182 VAL H H 182 9.100 9.225 -0.125 1 1 1900 . 4 1 1 A 182 182 VAL HA H 182 4.730 4.763 -0.033 1 1 1908 . 4 1 1 A 182 182 VAL C C 182 175.000 175.707 -0.707 1 1 1909 . 4 1 1 A 182 182 VAL CA C 182 59.100 59.422 -0.322 1 1 1910 . 4 1 1 A 182 182 VAL CB C 182 35.000 33.883 1.117 1 1 1913 . 4 1 1 A 182 182 VAL N N 182 122.200 122.566 -0.366 1 1 1914 . 4 1 1 A 183 183 ASN H H 183 8.960 8.763 0.197 1 1 1915 . 4 1 1 A 183 183 ASN HA H 183 4.870 4.935 -0.065 1 1 1920 . 4 1 1 A 183 183 ASN C C 183 174.300 174.800 -0.500 1 1 1921 . 4 1 1 A 183 183 ASN CA C 183 53.400 52.499 0.901 1 1 1922 . 4 1 1 A 183 183 ASN CB C 183 38.800 38.584 0.216 1 1 1923 . 4 1 1 A 183 183 ASN N N 183 121.300 121.144 0.156 1 1 1 . 5 1 1 A 3 3 THR H H 3 8.300 8.006 0.294 1 1 2 . 5 1 1 A 3 3 THR HA H 3 4.410 4.575 -0.165 1 1 7 . 5 1 1 A 3 3 THR C C 3 174.700 175.730 -1.030 1 1 8 . 5 1 1 A 3 3 THR CA C 3 61.600 62.177 -0.577 1 1 9 . 5 1 1 A 3 3 THR CB C 3 69.900 70.928 -1.028 1 1 11 . 5 1 1 A 3 3 THR N N 3 114.000 109.456 4.544 1 1 12 . 5 1 1 A 4 4 THR H H 4 8.230 8.085 0.145 1 1 13 . 5 1 1 A 4 4 THR HA H 4 4.420 3.902 0.518 1 1 18 . 5 1 1 A 4 4 THR C C 4 174.600 172.750 1.850 1 1 19 . 5 1 1 A 4 4 THR CA C 4 61.600 63.203 -1.603 1 1 20 . 5 1 1 A 4 4 THR CB C 4 70.000 66.758 3.242 1 1 22 . 5 1 1 A 4 4 THR N N 4 116.800 111.751 5.049 1 1 23 . 5 1 1 A 5 5 VAL H H 5 8.280 7.659 0.621 1 1 24 . 5 1 1 A 5 5 VAL HA H 5 4.130 4.580 -0.450 1 1 26 . 5 1 1 A 5 5 VAL C C 5 176.100 173.753 2.347 1 1 27 . 5 1 1 A 5 5 VAL CA C 5 62.400 60.181 2.219 1 1 28 . 5 1 1 A 5 5 VAL CB C 5 32.800 35.576 -2.776 1 1 30 . 5 1 1 A 5 5 VAL N N 5 122.500 119.572 2.928 1 1 31 . 5 1 1 A 6 6 ASN H H 6 8.610 8.685 -0.075 1 1 32 . 5 1 1 A 6 6 ASN HA H 6 4.710 4.393 0.317 1 1 37 . 5 1 1 A 6 6 ASN C C 6 175.800 176.150 -0.350 1 1 38 . 5 1 1 A 6 6 ASN CA C 6 53.400 54.984 -1.584 1 1 39 . 5 1 1 A 6 6 ASN CB C 6 38.900 38.077 0.823 1 1 40 . 5 1 1 A 6 6 ASN N N 6 122.600 124.408 -1.808 1 1 42 . 5 1 1 A 7 7 GLY H H 7 8.450 8.537 -0.087 1 1 43 . 5 1 1 A 7 7 GLY C C 7 174.800 173.705 1.095 1 1 44 . 5 1 1 A 7 7 GLY CA C 7 45.600 47.450 -1.850 1 1 45 . 5 1 1 A 7 7 GLY N N 7 109.700 113.826 -4.126 1 1 46 . 5 1 1 A 8 8 GLY H H 8 8.280 8.067 0.213 1 1 47 . 5 1 1 A 8 8 GLY HA2 H 8 3.960 4.198 -0.238 1 1 48 . 5 1 1 A 8 8 GLY HA3 H 8 4.030 4.247 -0.217 1 1 49 . 5 1 1 A 8 8 GLY C C 8 174.200 172.118 2.082 1 1 50 . 5 1 1 A 8 8 GLY CA C 8 45.200 45.614 -0.414 1 1 51 . 5 1 1 A 8 8 GLY N N 8 108.500 110.057 -1.557 1 1 52 . 5 1 1 A 9 9 THR H H 9 8.100 8.545 -0.445 1 1 53 . 5 1 1 A 9 9 THR HA H 9 4.320 4.463 -0.143 1 1 58 . 5 1 1 A 9 9 THR C C 9 174.500 173.996 0.504 1 1 59 . 5 1 1 A 9 9 THR CA C 9 62.000 61.547 0.453 1 1 60 . 5 1 1 A 9 9 THR CB C 9 69.900 68.437 1.463 1 1 62 . 5 1 1 A 9 9 THR N N 9 114.300 115.211 -0.911 1 1 63 . 5 1 1 A 10 10 VAL H H 10 8.170 8.621 -0.451 1 1 64 . 5 1 1 A 10 10 VAL HA H 10 4.040 3.557 0.483 1 1 72 . 5 1 1 A 10 10 VAL C C 10 175.600 176.050 -0.450 1 1 73 . 5 1 1 A 10 10 VAL CA C 10 62.200 62.908 -0.708 1 1 74 . 5 1 1 A 10 10 VAL CB C 10 32.800 30.120 2.680 1 1 77 . 5 1 1 A 10 10 VAL N N 10 122.900 125.698 -2.798 1 1 78 . 5 1 1 A 11 11 HIS H H 11 8.420 7.678 0.742 1 1 79 . 5 1 1 A 11 11 HIS HA H 11 4.670 4.475 0.195 1 1 84 . 5 1 1 A 11 11 HIS CA C 11 55.700 55.927 -0.227 1 1 85 . 5 1 1 A 11 11 HIS CB C 11 30.500 29.724 0.776 1 1 88 . 5 1 1 A 11 11 HIS N N 11 123.300 118.256 5.044 1 1 89 . 5 1 1 A 12 12 PHE H H 12 8.310 7.817 0.493 1 1 90 . 5 1 1 A 12 12 PHE HA H 12 4.620 4.796 -0.176 1 1 94 . 5 1 1 A 12 12 PHE C C 12 175.500 174.369 1.131 1 1 95 . 5 1 1 A 12 12 PHE CA C 12 57.700 56.069 1.631 1 1 96 . 5 1 1 A 12 12 PHE CB C 12 39.900 38.364 1.536 1 1 100 . 5 1 1 A 12 12 PHE N N 12 122.300 118.862 3.438 1 1 101 . 5 1 1 A 13 13 LYS H H 13 8.450 7.945 0.505 1 1 102 . 5 1 1 A 13 13 LYS HA H 13 4.230 4.564 -0.334 1 1 107 . 5 1 1 A 13 13 LYS C C 13 176.600 176.441 0.159 1 1 108 . 5 1 1 A 13 13 LYS CA C 13 56.500 55.334 1.166 1 1 109 . 5 1 1 A 13 13 LYS CB C 13 32.900 31.810 1.090 1 1 113 . 5 1 1 A 13 13 LYS N N 13 124.300 120.700 3.600 1 1 114 . 5 1 1 A 14 14 GLY H H 14 7.940 8.751 -0.811 1 1 115 . 5 1 1 A 14 14 GLY HA2 H 14 3.860 4.180 -0.320 1 1 116 . 5 1 1 A 14 14 GLY HA3 H 14 3.920 4.196 -0.276 1 1 117 . 5 1 1 A 14 14 GLY C C 14 173.800 173.532 0.268 1 1 118 . 5 1 1 A 14 14 GLY CA C 14 45.200 45.637 -0.437 1 1 119 . 5 1 1 A 14 14 GLY N N 14 109.800 111.671 -1.871 1 1 120 . 5 1 1 A 15 15 GLU H H 15 8.220 7.622 0.598 1 1 121 . 5 1 1 A 15 15 GLU HA H 15 4.290 4.679 -0.389 1 1 126 . 5 1 1 A 15 15 GLU C C 15 176.400 176.321 0.079 1 1 127 . 5 1 1 A 15 15 GLU CA C 15 56.500 55.298 1.202 1 1 128 . 5 1 1 A 15 15 GLU CB C 15 30.500 30.605 -0.105 1 1 130 . 5 1 1 A 15 15 GLU N N 15 120.600 116.568 4.032 1 1 131 . 5 1 1 A 16 16 VAL H H 16 8.300 8.937 -0.637 1 1 132 . 5 1 1 A 16 16 VAL HA H 16 4.110 3.705 0.405 1 1 140 . 5 1 1 A 16 16 VAL C C 16 176.000 176.185 -0.185 1 1 141 . 5 1 1 A 16 16 VAL CA C 16 62.300 66.273 -3.973 1 1 142 . 5 1 1 A 16 16 VAL CB C 16 32.900 31.512 1.388 1 1 145 . 5 1 1 A 16 16 VAL N N 16 122.100 119.870 2.230 1 1 146 . 5 1 1 A 17 17 VAL H H 17 8.290 7.950 0.340 1 1 147 . 5 1 1 A 17 17 VAL HA H 17 4.110 3.766 0.344 1 1 149 . 5 1 1 A 17 17 VAL C C 17 175.500 174.870 0.630 1 1 150 . 5 1 1 A 17 17 VAL CA C 17 62.000 63.203 -1.203 1 1 151 . 5 1 1 A 17 17 VAL CB C 17 32.800 29.563 3.237 1 1 153 . 5 1 1 A 17 17 VAL N N 17 124.800 120.709 4.091 1 1 154 . 5 1 1 A 18 18 ASN H H 18 8.470 7.655 0.815 1 1 155 . 5 1 1 A 18 18 ASN HA H 18 4.710 4.988 -0.278 1 1 160 . 5 1 1 A 18 18 ASN C C 18 174.100 173.314 0.786 1 1 161 . 5 1 1 A 18 18 ASN CA C 18 52.800 52.147 0.653 1 1 162 . 5 1 1 A 18 18 ASN CB C 18 39.000 39.839 -0.839 1 1 163 . 5 1 1 A 18 18 ASN N N 18 123.200 120.607 2.593 1 1 165 . 5 1 1 A 19 19 ALA H H 19 8.140 8.694 -0.554 1 1 166 . 5 1 1 A 19 19 ALA HA H 19 4.080 4.948 -0.868 1 1 170 . 5 1 1 A 19 19 ALA C C 19 178.000 178.360 -0.360 1 1 171 . 5 1 1 A 19 19 ALA CA C 19 51.700 50.446 1.254 1 1 172 . 5 1 1 A 19 19 ALA CB C 19 20.300 20.774 -0.474 1 1 173 . 5 1 1 A 19 19 ALA N N 19 123.400 129.174 -5.774 1 1 174 . 5 1 1 A 20 20 ALA H H 20 6.480 8.033 -1.553 1 1 175 . 5 1 1 A 20 20 ALA HA H 20 3.710 3.673 0.037 1 1 179 . 5 1 1 A 20 20 ALA C C 20 176.000 177.488 -1.488 1 1 180 . 5 1 1 A 20 20 ALA CA C 20 54.700 55.063 -0.363 1 1 181 . 5 1 1 A 20 20 ALA CB C 20 21.000 17.710 3.290 1 1 182 . 5 1 1 A 20 20 ALA N N 20 120.900 124.667 -3.767 1 1 183 . 5 1 1 A 21 21 CYS H H 21 6.330 7.488 -1.158 1 1 184 . 5 1 1 A 21 21 CYS HA H 21 4.780 5.154 -0.374 1 1 187 . 5 1 1 A 21 21 CYS C C 21 172.500 174.183 -1.683 1 1 188 . 5 1 1 A 21 21 CYS CA C 21 53.100 54.832 -1.732 1 1 189 . 5 1 1 A 21 21 CYS CB C 21 50.500 44.034 6.466 1 1 190 . 5 1 1 A 21 21 CYS N N 21 107.800 114.001 -6.201 1 1 191 . 5 1 1 A 22 22 ALA H H 22 8.910 8.534 0.376 1 1 192 . 5 1 1 A 22 22 ALA HA H 22 4.770 4.003 0.767 1 1 196 . 5 1 1 A 22 22 ALA C C 22 176.800 177.258 -0.458 1 1 197 . 5 1 1 A 22 22 ALA CA C 22 50.600 52.982 -2.382 1 1 198 . 5 1 1 A 22 22 ALA CB C 22 21.600 19.171 2.429 1 1 199 . 5 1 1 A 22 22 ALA N N 22 123.900 125.912 -2.012 1 1 200 . 5 1 1 A 23 23 VAL H H 23 8.820 7.998 0.822 1 1 201 . 5 1 1 A 23 23 VAL HA H 23 4.100 3.919 0.181 1 1 209 . 5 1 1 A 23 23 VAL C C 23 176.500 174.520 1.980 1 1 210 . 5 1 1 A 23 23 VAL CA C 23 63.700 62.304 1.396 1 1 211 . 5 1 1 A 23 23 VAL CB C 23 31.500 30.980 0.520 1 1 214 . 5 1 1 A 23 23 VAL N N 23 123.600 116.295 7.305 1 1 215 . 5 1 1 A 24 24 ASP H H 24 8.660 7.883 0.777 1 1 216 . 5 1 1 A 24 24 ASP HA H 24 4.310 4.530 -0.220 1 1 219 . 5 1 1 A 24 24 ASP C C 24 177.600 177.811 -0.211 1 1 220 . 5 1 1 A 24 24 ASP CA C 24 56.100 54.861 1.239 1 1 221 . 5 1 1 A 24 24 ASP CB C 24 44.700 42.617 2.083 1 1 222 . 5 1 1 A 24 24 ASP N N 24 128.000 127.928 0.072 1 1 223 . 5 1 1 A 25 25 ALA H H 25 8.870 8.975 -0.105 1 1 224 . 5 1 1 A 25 25 ALA HA H 25 4.150 3.951 0.199 1 1 228 . 5 1 1 A 25 25 ALA C C 25 180.200 179.597 0.603 1 1 229 . 5 1 1 A 25 25 ALA CA C 25 55.800 55.245 0.555 1 1 230 . 5 1 1 A 25 25 ALA CB C 25 18.700 18.215 0.485 1 1 231 . 5 1 1 A 25 25 ALA N N 25 127.900 127.645 0.255 1 1 232 . 5 1 1 A 26 26 GLY H H 26 8.700 8.565 0.135 1 1 233 . 5 1 1 A 26 26 GLY HA2 H 26 4.170 3.980 0.190 1 1 234 . 5 1 1 A 26 26 GLY HA3 H 26 3.850 3.984 -0.134 1 1 235 . 5 1 1 A 26 26 GLY C C 26 175.100 174.924 0.176 1 1 236 . 5 1 1 A 26 26 GLY CA C 26 46.200 46.577 -0.377 1 1 237 . 5 1 1 A 26 26 GLY N N 26 105.300 105.507 -0.207 1 1 238 . 5 1 1 A 27 27 SER H H 27 8.300 8.390 -0.090 1 1 239 . 5 1 1 A 27 27 SER HA H 27 4.910 4.624 0.286 1 1 242 . 5 1 1 A 27 27 SER C C 27 174.600 175.482 -0.882 1 1 243 . 5 1 1 A 27 27 SER CA C 27 59.300 61.192 -1.892 1 1 244 . 5 1 1 A 27 27 SER CB C 27 65.700 63.957 1.743 1 1 245 . 5 1 1 A 27 27 SER N N 27 113.400 115.656 -2.256 1 1 246 . 5 1 1 A 28 28 VAL H H 28 7.290 7.683 -0.393 1 1 247 . 5 1 1 A 28 28 VAL HA H 28 4.070 3.699 0.371 1 1 255 . 5 1 1 A 28 28 VAL C C 28 176.300 176.430 -0.130 1 1 256 . 5 1 1 A 28 28 VAL CA C 28 64.700 66.549 -1.849 1 1 257 . 5 1 1 A 28 28 VAL CB C 28 32.700 32.034 0.666 1 1 260 . 5 1 1 A 28 28 VAL N N 28 119.000 120.911 -1.911 1 1 261 . 5 1 1 A 29 29 ASP H H 29 7.910 7.905 0.005 1 1 262 . 5 1 1 A 29 29 ASP HA H 29 5.310 4.955 0.355 1 1 265 . 5 1 1 A 29 29 ASP C C 29 175.000 174.654 0.346 1 1 266 . 5 1 1 A 29 29 ASP CA C 29 54.500 53.300 1.200 1 1 267 . 5 1 1 A 29 29 ASP CB C 29 42.700 40.835 1.865 1 1 268 . 5 1 1 A 29 29 ASP N N 29 123.100 119.315 3.785 1 1 269 . 5 1 1 A 30 30 GLN H H 30 7.680 8.274 -0.594 1 1 270 . 5 1 1 A 30 30 GLN HA H 30 4.840 5.122 -0.282 1 1 275 . 5 1 1 A 30 30 GLN C C 30 173.900 175.281 -1.381 1 1 276 . 5 1 1 A 30 30 GLN CA C 30 55.000 54.909 0.091 1 1 277 . 5 1 1 A 30 30 GLN CB C 30 32.400 31.137 1.263 1 1 279 . 5 1 1 A 30 30 GLN N N 30 119.700 121.425 -1.725 1 1 281 . 5 1 1 A 31 31 THR H H 31 8.960 9.083 -0.123 1 1 282 . 5 1 1 A 31 31 THR HA H 31 5.160 4.965 0.195 1 1 287 . 5 1 1 A 31 31 THR C C 31 173.600 173.888 -0.288 1 1 288 . 5 1 1 A 31 31 THR CA C 31 62.000 61.704 0.296 1 1 289 . 5 1 1 A 31 31 THR CB C 31 70.300 68.885 1.415 1 1 291 . 5 1 1 A 31 31 THR N N 31 118.900 119.420 -0.520 1 1 292 . 5 1 1 A 32 32 VAL H H 32 9.210 8.405 0.805 1 1 293 . 5 1 1 A 32 32 VAL HA H 32 4.070 4.114 -0.044 1 1 301 . 5 1 1 A 32 32 VAL C C 32 174.400 175.371 -0.971 1 1 302 . 5 1 1 A 32 32 VAL CA C 32 61.200 62.918 -1.718 1 1 303 . 5 1 1 A 32 32 VAL CB C 32 33.600 31.627 1.973 1 1 306 . 5 1 1 A 32 32 VAL N N 32 131.300 126.858 4.442 1 1 307 . 5 1 1 A 33 33 GLN H H 33 8.890 8.739 0.151 1 1 308 . 5 1 1 A 33 33 GLN HA H 33 4.760 4.641 0.119 1 1 315 . 5 1 1 A 33 33 GLN C C 33 175.900 175.712 0.188 1 1 316 . 5 1 1 A 33 33 GLN CA C 33 54.400 54.844 -0.444 1 1 317 . 5 1 1 A 33 33 GLN CB C 33 27.500 28.426 -0.926 1 1 319 . 5 1 1 A 33 33 GLN N N 33 127.200 128.718 -1.518 1 1 321 . 5 1 1 A 34 34 LEU H H 34 9.510 9.335 0.175 1 1 322 . 5 1 1 A 34 34 LEU HA H 34 4.290 4.310 -0.020 1 1 332 . 5 1 1 A 34 34 LEU C C 34 177.900 176.915 0.985 1 1 333 . 5 1 1 A 34 34 LEU CA C 34 56.200 55.330 0.870 1 1 334 . 5 1 1 A 34 34 LEU CB C 34 41.300 42.108 -0.808 1 1 338 . 5 1 1 A 34 34 LEU N N 34 126.800 126.361 0.439 1 1 339 . 5 1 1 A 35 35 GLY H H 35 8.310 7.962 0.348 1 1 340 . 5 1 1 A 35 35 GLY HA2 H 35 3.810 4.146 -0.336 1 1 341 . 5 1 1 A 35 35 GLY HA3 H 35 4.230 4.148 0.082 1 1 342 . 5 1 1 A 35 35 GLY C C 35 171.900 173.301 -1.401 1 1 343 . 5 1 1 A 35 35 GLY CA C 35 44.400 44.675 -0.275 1 1 344 . 5 1 1 A 35 35 GLY N N 35 106.500 106.606 -0.106 1 1 345 . 5 1 1 A 36 36 GLN H H 36 7.990 8.379 -0.389 1 1 346 . 5 1 1 A 36 36 GLN HA H 36 5.310 4.593 0.717 1 1 353 . 5 1 1 A 36 36 GLN C C 36 176.700 175.133 1.567 1 1 354 . 5 1 1 A 36 36 GLN CA C 36 54.500 56.891 -2.391 1 1 355 . 5 1 1 A 36 36 GLN CB C 36 30.100 29.501 0.599 1 1 357 . 5 1 1 A 36 36 GLN N N 36 115.700 119.940 -4.240 1 1 359 . 5 1 1 A 37 37 VAL H H 37 8.910 8.329 0.581 1 1 360 . 5 1 1 A 37 37 VAL HA H 37 4.500 4.675 -0.175 1 1 368 . 5 1 1 A 37 37 VAL C C 37 174.700 174.322 0.378 1 1 369 . 5 1 1 A 37 37 VAL CA C 37 60.200 60.120 0.080 1 1 370 . 5 1 1 A 37 37 VAL CB C 37 34.800 35.673 -0.873 1 1 373 . 5 1 1 A 37 37 VAL N N 37 124.300 122.193 2.107 1 1 374 . 5 1 1 A 38 38 ARG H H 38 8.750 8.815 -0.065 1 1 375 . 5 1 1 A 38 38 ARG HA H 38 4.940 4.433 0.507 1 1 381 . 5 1 1 A 38 38 ARG C C 38 179.500 177.747 1.753 1 1 382 . 5 1 1 A 38 38 ARG CA C 38 55.700 56.153 -0.453 1 1 383 . 5 1 1 A 38 38 ARG CB C 38 30.700 30.678 0.022 1 1 386 . 5 1 1 A 38 38 ARG N N 38 125.400 125.167 0.233 1 1 388 . 5 1 1 A 39 39 THR H H 39 8.820 8.775 0.045 1 1 389 . 5 1 1 A 39 39 THR HA H 39 3.320 3.908 -0.588 1 1 394 . 5 1 1 A 39 39 THR C C 39 178.500 176.055 2.445 1 1 395 . 5 1 1 A 39 39 THR CA C 39 65.700 65.196 0.504 1 1 396 . 5 1 1 A 39 39 THR CB C 39 67.300 68.162 -0.862 1 1 398 . 5 1 1 A 39 39 THR N N 39 116.200 118.555 -2.355 1 1 399 . 5 1 1 A 40 40 ALA H H 40 8.060 8.333 -0.273 1 1 400 . 5 1 1 A 40 40 ALA HA H 40 4.110 4.032 0.078 1 1 404 . 5 1 1 A 40 40 ALA C C 40 178.900 179.762 -0.862 1 1 405 . 5 1 1 A 40 40 ALA CA C 40 54.500 55.128 -0.628 1 1 406 . 5 1 1 A 40 40 ALA CB C 40 18.800 18.096 0.704 1 1 407 . 5 1 1 A 40 40 ALA N N 40 121.200 124.623 -3.423 1 1 408 . 5 1 1 A 41 41 SER H H 41 7.580 7.996 -0.416 1 1 409 . 5 1 1 A 41 41 SER HA H 41 4.460 4.356 0.104 1 1 412 . 5 1 1 A 41 41 SER C C 41 172.900 174.115 -1.215 1 1 413 . 5 1 1 A 41 41 SER CA C 41 59.400 60.269 -0.869 1 1 414 . 5 1 1 A 41 41 SER CB C 41 63.700 63.399 0.301 1 1 415 . 5 1 1 A 41 41 SER N N 41 112.300 111.771 0.529 1 1 416 . 5 1 1 A 42 42 LEU H H 42 7.330 7.755 -0.425 1 1 417 . 5 1 1 A 42 42 LEU HA H 42 4.460 4.503 -0.043 1 1 427 . 5 1 1 A 42 42 LEU C C 42 174.400 175.777 -1.377 1 1 428 . 5 1 1 A 42 42 LEU CA C 42 52.100 54.037 -1.937 1 1 429 . 5 1 1 A 42 42 LEU CB C 42 43.800 42.911 0.889 1 1 433 . 5 1 1 A 42 42 LEU N N 42 124.500 121.954 2.546 1 1 434 . 5 1 1 A 43 43 ALA H H 43 7.520 8.608 -1.088 1 1 435 . 5 1 1 A 43 43 ALA HA H 43 4.550 4.577 -0.027 1 1 439 . 5 1 1 A 43 43 ALA C C 43 176.600 176.044 0.556 1 1 440 . 5 1 1 A 43 43 ALA CA C 43 53.300 51.308 1.992 1 1 441 . 5 1 1 A 43 43 ALA CB C 43 20.000 20.314 -0.314 1 1 442 . 5 1 1 A 43 43 ALA N N 43 118.200 124.896 -6.696 1 1 443 . 5 1 1 A 44 44 GLN H H 44 7.040 7.534 -0.494 1 1 444 . 5 1 1 A 44 44 GLN HA H 44 4.150 4.569 -0.419 1 1 449 . 5 1 1 A 44 44 GLN C C 44 172.800 173.486 -0.686 1 1 450 . 5 1 1 A 44 44 GLN CA C 44 53.400 54.239 -0.839 1 1 451 . 5 1 1 A 44 44 GLN CB C 44 31.600 31.910 -0.310 1 1 453 . 5 1 1 A 44 44 GLN N N 44 111.900 115.583 -3.683 1 1 455 . 5 1 1 A 45 45 GLU H H 45 8.490 8.618 -0.128 1 1 456 . 5 1 1 A 45 45 GLU HA H 45 3.680 3.806 -0.126 1 1 461 . 5 1 1 A 45 45 GLU C C 45 177.500 177.393 0.107 1 1 462 . 5 1 1 A 45 45 GLU CA C 45 57.100 58.121 -1.021 1 1 463 . 5 1 1 A 45 45 GLU CB C 45 28.500 29.345 -0.845 1 1 465 . 5 1 1 A 45 45 GLU N N 45 120.300 122.865 -2.565 1 1 466 . 5 1 1 A 46 46 GLY H H 46 8.520 8.850 -0.330 1 1 467 . 5 1 1 A 46 46 GLY HA2 H 46 4.140 3.182 0.958 1 1 468 . 5 1 1 A 46 46 GLY HA3 H 46 3.050 3.786 -0.736 1 1 469 . 5 1 1 A 46 46 GLY C C 46 173.900 174.133 -0.233 1 1 470 . 5 1 1 A 46 46 GLY CA C 46 44.400 45.089 -0.689 1 1 471 . 5 1 1 A 46 46 GLY N N 46 115.100 114.649 0.451 1 1 472 . 5 1 1 A 47 47 ALA H H 47 7.690 7.734 -0.044 1 1 473 . 5 1 1 A 47 47 ALA HA H 47 4.320 4.206 0.114 1 1 477 . 5 1 1 A 47 47 ALA C C 47 176.000 176.342 -0.342 1 1 478 . 5 1 1 A 47 47 ALA CA C 47 52.800 52.214 0.586 1 1 479 . 5 1 1 A 47 47 ALA CB C 47 19.900 20.075 -0.175 1 1 480 . 5 1 1 A 47 47 ALA N N 47 123.600 123.001 0.599 1 1 481 . 5 1 1 A 48 48 THR H H 48 7.960 8.553 -0.593 1 1 482 . 5 1 1 A 48 48 THR HA H 48 5.440 5.069 0.371 1 1 487 . 5 1 1 A 48 48 THR C C 48 175.700 172.735 2.965 1 1 488 . 5 1 1 A 48 48 THR CA C 48 58.500 59.529 -1.029 1 1 489 . 5 1 1 A 48 48 THR CB C 48 73.500 72.251 1.249 1 1 491 . 5 1 1 A 48 48 THR N N 48 107.700 111.354 -3.654 1 1 492 . 5 1 1 A 49 49 SER H H 49 8.240 8.757 -0.517 1 1 493 . 5 1 1 A 49 49 SER HA H 49 4.810 4.644 0.166 1 1 494 . 5 1 1 A 49 49 SER C C 49 174.000 175.077 -1.077 1 1 495 . 5 1 1 A 49 49 SER CA C 49 57.100 58.276 -1.176 1 1 496 . 5 1 1 A 49 49 SER CB C 49 65.800 64.197 1.603 1 1 497 . 5 1 1 A 49 49 SER N N 49 115.400 118.149 -2.749 1 1 498 . 5 1 1 A 50 50 SER H H 50 8.640 8.718 -0.078 1 1 499 . 5 1 1 A 50 50 SER HA H 50 4.340 4.204 0.136 1 1 502 . 5 1 1 A 50 50 SER C C 50 174.200 174.774 -0.574 1 1 503 . 5 1 1 A 50 50 SER CA C 50 59.600 61.547 -1.947 1 1 504 . 5 1 1 A 50 50 SER CB C 50 63.200 63.430 -0.230 1 1 505 . 5 1 1 A 50 50 SER N N 50 114.800 118.724 -3.924 1 1 506 . 5 1 1 A 51 51 ALA H H 51 8.520 7.350 1.170 1 1 507 . 5 1 1 A 51 51 ALA HA H 51 4.640 4.586 0.054 1 1 511 . 5 1 1 A 51 51 ALA C C 51 177.800 175.185 2.615 1 1 512 . 5 1 1 A 51 51 ALA CA C 51 52.000 51.820 0.180 1 1 513 . 5 1 1 A 51 51 ALA CB C 51 20.100 22.318 -2.218 1 1 514 . 5 1 1 A 51 51 ALA N N 51 127.800 116.870 10.930 1 1 515 . 5 1 1 A 52 52 VAL H H 52 9.250 8.725 0.525 1 1 516 . 5 1 1 A 52 52 VAL HA H 52 4.380 4.664 -0.284 1 1 524 . 5 1 1 A 52 52 VAL C C 52 176.100 175.149 0.951 1 1 525 . 5 1 1 A 52 52 VAL CA C 52 61.200 60.898 0.302 1 1 526 . 5 1 1 A 52 52 VAL CB C 52 34.800 34.364 0.436 1 1 529 . 5 1 1 A 52 52 VAL N N 52 122.200 120.606 1.594 1 1 530 . 5 1 1 A 53 53 GLY H H 53 8.730 8.829 -0.099 1 1 531 . 5 1 1 A 53 53 GLY HA2 H 53 4.890 4.114 0.776 1 1 532 . 5 1 1 A 53 53 GLY HA3 H 53 3.760 4.176 -0.416 1 1 533 . 5 1 1 A 53 53 GLY C C 53 173.700 173.361 0.339 1 1 534 . 5 1 1 A 53 53 GLY CA C 53 45.400 46.065 -0.665 1 1 535 . 5 1 1 A 53 53 GLY N N 53 112.400 116.734 -4.334 1 1 536 . 5 1 1 A 54 54 PHE H H 54 8.500 8.731 -0.231 1 1 537 . 5 1 1 A 54 54 PHE HA H 54 4.830 5.196 -0.366 1 1 539 . 5 1 1 A 54 54 PHE C C 54 171.300 174.893 -3.593 1 1 540 . 5 1 1 A 54 54 PHE CA C 54 56.900 55.051 1.849 1 1 541 . 5 1 1 A 54 54 PHE CB C 54 41.600 39.220 2.380 1 1 545 . 5 1 1 A 54 54 PHE N N 54 118.300 118.644 -0.344 1 1 546 . 5 1 1 A 55 55 ASN H H 55 9.240 8.591 0.649 1 1 547 . 5 1 1 A 55 55 ASN HA H 55 5.640 4.959 0.681 1 1 552 . 5 1 1 A 55 55 ASN C C 55 175.200 175.324 -0.124 1 1 553 . 5 1 1 A 55 55 ASN CA C 55 51.800 53.085 -1.285 1 1 554 . 5 1 1 A 55 55 ASN CB C 55 43.000 39.159 3.841 1 1 555 . 5 1 1 A 55 55 ASN N N 55 117.100 119.805 -2.705 1 1 557 . 5 1 1 A 56 56 ILE H H 56 8.780 8.872 -0.092 1 1 558 . 5 1 1 A 56 56 ILE HA H 56 4.150 4.126 0.024 1 1 568 . 5 1 1 A 56 56 ILE C C 56 173.700 175.257 -1.557 1 1 569 . 5 1 1 A 56 56 ILE CA C 56 60.800 61.351 -0.551 1 1 570 . 5 1 1 A 56 56 ILE CB C 56 40.000 37.109 2.891 1 1 574 . 5 1 1 A 56 56 ILE N N 56 119.900 124.268 -4.368 1 1 575 . 5 1 1 A 57 57 GLN H H 57 8.840 8.439 0.401 1 1 576 . 5 1 1 A 57 57 GLN HA H 57 4.970 4.657 0.313 1 1 581 . 5 1 1 A 57 57 GLN C C 57 173.100 175.502 -2.402 1 1 582 . 5 1 1 A 57 57 GLN CA C 57 54.900 56.101 -1.201 1 1 583 . 5 1 1 A 57 57 GLN CB C 57 31.300 29.000 2.300 1 1 585 . 5 1 1 A 57 57 GLN N N 57 128.700 128.322 0.378 1 1 587 . 5 1 1 A 58 58 LEU H H 58 9.090 8.608 0.482 1 1 588 . 5 1 1 A 58 58 LEU HA H 58 5.010 4.903 0.107 1 1 598 . 5 1 1 A 58 58 LEU C C 58 174.700 175.469 -0.769 1 1 599 . 5 1 1 A 58 58 LEU CA C 58 52.600 54.097 -1.497 1 1 600 . 5 1 1 A 58 58 LEU CB C 58 43.800 43.631 0.169 1 1 604 . 5 1 1 A 58 58 LEU N N 58 126.800 128.364 -1.564 1 1 605 . 5 1 1 A 59 59 ASN H H 59 9.670 8.845 0.825 1 1 606 . 5 1 1 A 59 59 ASN HA H 59 5.130 5.269 -0.139 1 1 611 . 5 1 1 A 59 59 ASN C C 59 175.700 174.874 0.826 1 1 612 . 5 1 1 A 59 59 ASN CA C 59 51.200 51.477 -0.277 1 1 613 . 5 1 1 A 59 59 ASN CB C 59 41.500 42.159 -0.659 1 1 614 . 5 1 1 A 59 59 ASN N N 59 119.300 118.047 1.253 1 1 616 . 5 1 1 A 60 60 ASP H H 60 9.440 9.047 0.393 1 1 617 . 5 1 1 A 60 60 ASP HA H 60 4.240 4.160 0.080 1 1 620 . 5 1 1 A 60 60 ASP C C 60 176.000 175.057 0.943 1 1 621 . 5 1 1 A 60 60 ASP CA C 60 55.200 54.730 0.470 1 1 622 . 5 1 1 A 60 60 ASP CB C 60 39.100 38.995 0.105 1 1 623 . 5 1 1 A 60 60 ASP N N 60 115.200 121.230 -6.030 1 1 624 . 5 1 1 A 61 61 CYS H H 61 8.690 8.047 0.643 1 1 625 . 5 1 1 A 61 61 CYS HA H 61 5.240 4.527 0.713 1 1 628 . 5 1 1 A 61 61 CYS CA C 61 56.800 54.951 1.849 1 1 629 . 5 1 1 A 61 61 CYS CB C 61 41.800 41.965 -0.165 1 1 630 . 5 1 1 A 61 61 CYS N N 61 114.600 117.769 -3.169 1 1 631 . 5 1 1 A 62 62 ASP H H 62 8.280 8.895 -0.615 1 1 632 . 5 1 1 A 62 62 ASP HA H 62 5.040 4.603 0.437 1 1 635 . 5 1 1 A 62 62 ASP C C 62 178.200 176.908 1.292 1 1 636 . 5 1 1 A 62 62 ASP CA C 62 52.300 54.340 -2.040 1 1 637 . 5 1 1 A 62 62 ASP CB C 62 42.000 42.115 -0.115 1 1 638 . 5 1 1 A 62 62 ASP N N 62 122.300 126.901 -4.601 1 1 639 . 5 1 1 A 63 63 THR H H 63 8.620 8.494 0.126 1 1 640 . 5 1 1 A 63 63 THR HA H 63 4.870 4.490 0.380 1 1 645 . 5 1 1 A 63 63 THR C C 63 176.500 176.150 0.350 1 1 646 . 5 1 1 A 63 63 THR CA C 63 63.100 62.163 0.937 1 1 647 . 5 1 1 A 63 63 THR CB C 63 68.500 69.954 -1.454 1 1 649 . 5 1 1 A 63 63 THR N N 63 115.500 116.555 -1.055 1 1 650 . 5 1 1 A 64 64 ASN H H 64 8.800 8.240 0.560 1 1 651 . 5 1 1 A 64 64 ASN HA H 64 4.580 4.399 0.181 1 1 656 . 5 1 1 A 64 64 ASN C C 64 176.800 177.884 -1.084 1 1 657 . 5 1 1 A 64 64 ASN CA C 64 55.100 56.131 -1.031 1 1 658 . 5 1 1 A 64 64 ASN CB C 64 38.300 38.395 -0.095 1 1 659 . 5 1 1 A 64 64 ASN N N 64 119.100 121.036 -1.936 1 1 661 . 5 1 1 A 65 65 VAL H H 65 7.780 7.686 0.094 1 1 662 . 5 1 1 A 65 65 VAL HA H 65 3.800 3.900 -0.100 1 1 670 . 5 1 1 A 65 65 VAL C C 65 175.900 175.705 0.195 1 1 671 . 5 1 1 A 65 65 VAL CA C 65 64.400 64.973 -0.573 1 1 672 . 5 1 1 A 65 65 VAL CB C 65 32.500 32.419 0.081 1 1 675 . 5 1 1 A 65 65 VAL N N 65 120.800 118.264 2.536 1 1 676 . 5 1 1 A 66 66 ALA H H 66 7.400 7.512 -0.112 1 1 677 . 5 1 1 A 66 66 ALA HA H 66 4.270 4.511 -0.241 1 1 681 . 5 1 1 A 66 66 ALA C C 66 173.800 177.023 -3.223 1 1 682 . 5 1 1 A 66 66 ALA CA C 66 52.400 51.621 0.779 1 1 683 . 5 1 1 A 66 66 ALA CB C 66 23.400 22.839 0.561 1 1 684 . 5 1 1 A 66 66 ALA N N 66 118.100 120.769 -2.669 1 1 685 . 5 1 1 A 67 67 SER H H 67 8.070 8.580 -0.510 1 1 686 . 5 1 1 A 67 67 SER HA H 67 4.720 4.591 0.129 1 1 689 . 5 1 1 A 67 67 SER C C 67 175.100 174.313 0.787 1 1 690 . 5 1 1 A 67 67 SER CA C 67 57.800 59.550 -1.750 1 1 691 . 5 1 1 A 67 67 SER CB C 67 65.200 64.078 1.122 1 1 692 . 5 1 1 A 67 67 SER N N 67 109.700 116.521 -6.821 1 1 693 . 5 1 1 A 68 68 LYS H H 68 8.140 7.909 0.231 1 1 694 . 5 1 1 A 68 68 LYS HA H 68 5.450 5.011 0.439 1 1 699 . 5 1 1 A 68 68 LYS C C 68 174.600 175.332 -0.732 1 1 700 . 5 1 1 A 68 68 LYS CA C 68 54.900 54.697 0.203 1 1 701 . 5 1 1 A 68 68 LYS CB C 68 38.000 35.645 2.355 1 1 705 . 5 1 1 A 68 68 LYS N N 68 121.300 119.220 2.080 1 1 706 . 5 1 1 A 69 69 ALA H H 69 8.560 9.038 -0.478 1 1 707 . 5 1 1 A 69 69 ALA HA H 69 5.630 5.470 0.160 1 1 711 . 5 1 1 A 69 69 ALA C C 69 175.300 176.334 -1.034 1 1 712 . 5 1 1 A 69 69 ALA CA C 69 50.000 49.846 0.154 1 1 713 . 5 1 1 A 69 69 ALA CB C 69 24.500 22.625 1.875 1 1 714 . 5 1 1 A 69 69 ALA N N 69 120.400 122.764 -2.364 1 1 715 . 5 1 1 A 70 70 ALA H H 70 8.660 8.904 -0.244 1 1 716 . 5 1 1 A 70 70 ALA HA H 70 4.660 5.227 -0.567 1 1 720 . 5 1 1 A 70 70 ALA C C 70 175.000 176.046 -1.046 1 1 721 . 5 1 1 A 70 70 ALA CA C 70 51.400 50.669 0.731 1 1 722 . 5 1 1 A 70 70 ALA CB C 70 23.800 23.334 0.466 1 1 723 . 5 1 1 A 70 70 ALA N N 70 121.800 122.543 -0.743 1 1 724 . 5 1 1 A 71 71 VAL H H 71 8.730 8.857 -0.127 1 1 725 . 5 1 1 A 71 71 VAL HA H 71 5.230 4.936 0.294 1 1 733 . 5 1 1 A 71 71 VAL C C 71 174.200 172.959 1.241 1 1 734 . 5 1 1 A 71 71 VAL CA C 71 61.200 60.513 0.687 1 1 735 . 5 1 1 A 71 71 VAL CB C 71 36.100 35.286 0.814 1 1 738 . 5 1 1 A 71 71 VAL N N 71 119.200 117.904 1.296 1 1 739 . 5 1 1 A 72 72 ALA H H 72 8.200 8.696 -0.496 1 1 740 . 5 1 1 A 72 72 ALA HA H 72 4.680 5.408 -0.728 1 1 744 . 5 1 1 A 72 72 ALA C C 72 176.500 175.785 0.715 1 1 745 . 5 1 1 A 72 72 ALA CA C 72 50.200 50.873 -0.673 1 1 746 . 5 1 1 A 72 72 ALA CB C 72 21.000 24.060 -3.060 1 1 747 . 5 1 1 A 72 72 ALA N N 72 127.900 126.227 1.673 1 1 748 . 5 1 1 A 73 73 PHE H H 73 9.700 8.691 1.009 1 1 749 . 5 1 1 A 73 73 PHE HA H 73 5.270 5.426 -0.156 1 1 753 . 5 1 1 A 73 73 PHE C C 73 174.500 174.681 -0.181 1 1 754 . 5 1 1 A 73 73 PHE CA C 73 57.400 56.102 1.298 1 1 755 . 5 1 1 A 73 73 PHE CB C 73 42.800 43.772 -0.972 1 1 759 . 5 1 1 A 73 73 PHE N N 73 121.600 116.072 5.528 1 1 760 . 5 1 1 A 74 74 LEU H H 74 9.180 8.711 0.469 1 1 761 . 5 1 1 A 74 74 LEU HA H 74 4.670 4.969 -0.299 1 1 771 . 5 1 1 A 74 74 LEU C C 74 175.800 175.371 0.429 1 1 772 . 5 1 1 A 74 74 LEU CA C 74 53.600 54.385 -0.785 1 1 773 . 5 1 1 A 74 74 LEU CB C 74 45.400 46.459 -1.059 1 1 777 . 5 1 1 A 74 74 LEU N N 74 122.100 122.562 -0.462 1 1 778 . 5 1 1 A 75 75 GLY H H 75 8.460 8.402 0.058 1 1 779 . 5 1 1 A 75 75 GLY HA2 H 75 3.960 4.256 -0.296 1 1 780 . 5 1 1 A 75 75 GLY HA3 H 75 4.380 4.290 0.090 1 1 781 . 5 1 1 A 75 75 GLY C C 75 171.100 172.022 -0.922 1 1 782 . 5 1 1 A 75 75 GLY CA C 75 44.900 45.431 -0.531 1 1 783 . 5 1 1 A 75 75 GLY N N 75 111.400 111.973 -0.573 1 1 784 . 5 1 1 A 76 76 THR H H 76 8.450 8.698 -0.248 1 1 785 . 5 1 1 A 76 76 THR HA H 76 4.230 4.300 -0.070 1 1 790 . 5 1 1 A 76 76 THR C C 76 173.500 174.853 -1.353 1 1 791 . 5 1 1 A 76 76 THR CA C 76 62.600 63.335 -0.735 1 1 792 . 5 1 1 A 76 76 THR CB C 76 69.800 69.150 0.650 1 1 794 . 5 1 1 A 76 76 THR N N 76 118.300 115.719 2.581 1 1 795 . 5 1 1 A 77 77 ALA H H 77 8.740 8.753 -0.013 1 1 796 . 5 1 1 A 77 77 ALA HA H 77 4.860 4.641 0.219 1 1 800 . 5 1 1 A 77 77 ALA C C 77 179.700 178.218 1.482 1 1 801 . 5 1 1 A 77 77 ALA CA C 77 51.700 52.396 -0.696 1 1 802 . 5 1 1 A 77 77 ALA CB C 77 19.600 19.085 0.515 1 1 803 . 5 1 1 A 77 77 ALA N N 77 130.800 128.637 2.163 1 1 804 . 5 1 1 A 78 78 ILE H H 78 9.000 8.787 0.213 1 1 805 . 5 1 1 A 78 78 ILE HA H 78 3.820 4.044 -0.224 1 1 815 . 5 1 1 A 78 78 ILE C C 78 173.900 174.625 -0.725 1 1 816 . 5 1 1 A 78 78 ILE CA C 78 65.500 63.603 1.897 1 1 817 . 5 1 1 A 78 78 ILE CB C 78 39.200 38.686 0.514 1 1 821 . 5 1 1 A 78 78 ILE N N 78 122.600 123.442 -0.842 1 1 822 . 5 1 1 A 79 79 ASP H H 79 7.360 7.822 -0.462 1 1 823 . 5 1 1 A 79 79 ASP HA H 79 4.450 4.842 -0.392 1 1 826 . 5 1 1 A 79 79 ASP C C 79 175.700 175.536 0.164 1 1 827 . 5 1 1 A 79 79 ASP CA C 79 53.900 53.696 0.204 1 1 828 . 5 1 1 A 79 79 ASP CB C 79 41.800 43.738 -1.938 1 1 829 . 5 1 1 A 79 79 ASP N N 79 113.600 120.193 -6.593 1 1 830 . 5 1 1 A 80 80 ALA H H 80 8.510 8.846 -0.336 1 1 831 . 5 1 1 A 80 80 ALA HA H 80 4.100 3.994 0.106 1 1 835 . 5 1 1 A 80 80 ALA C C 80 178.600 179.585 -0.985 1 1 836 . 5 1 1 A 80 80 ALA CA C 80 54.200 55.201 -1.001 1 1 837 . 5 1 1 A 80 80 ALA CB C 80 18.600 18.459 0.141 1 1 838 . 5 1 1 A 80 80 ALA N N 80 118.700 125.606 -6.906 1 1 839 . 5 1 1 A 81 81 GLY H H 81 8.440 8.632 -0.192 1 1 840 . 5 1 1 A 81 81 GLY HA2 H 81 3.490 3.871 -0.381 1 1 841 . 5 1 1 A 81 81 GLY HA3 H 81 4.120 3.898 0.222 1 1 842 . 5 1 1 A 81 81 GLY C C 81 174.100 174.445 -0.345 1 1 843 . 5 1 1 A 81 81 GLY CA C 81 44.800 46.149 -1.349 1 1 844 . 5 1 1 A 81 81 GLY N N 81 104.400 105.291 -0.891 1 1 845 . 5 1 1 A 82 82 HIS H H 82 7.830 7.944 -0.114 1 1 846 . 5 1 1 A 82 82 HIS HA H 82 4.920 4.936 -0.016 1 1 851 . 5 1 1 A 82 82 HIS C C 82 174.600 174.814 -0.214 1 1 852 . 5 1 1 A 82 82 HIS CA C 82 54.700 54.615 0.085 1 1 853 . 5 1 1 A 82 82 HIS CB C 82 28.100 29.251 -1.151 1 1 856 . 5 1 1 A 82 82 HIS N N 82 120.400 117.284 3.116 1 1 857 . 5 1 1 A 83 83 THR H H 83 8.220 8.032 0.188 1 1 858 . 5 1 1 A 83 83 THR HA H 83 4.090 4.072 0.018 1 1 863 . 5 1 1 A 83 83 THR C C 83 174.300 175.437 -1.137 1 1 864 . 5 1 1 A 83 83 THR CA C 83 63.600 64.529 -0.929 1 1 865 . 5 1 1 A 83 83 THR CB C 83 68.500 68.548 -0.048 1 1 867 . 5 1 1 A 83 83 THR N N 83 109.800 112.760 -2.960 1 1 868 . 5 1 1 A 84 84 ASN H H 84 7.490 7.766 -0.276 1 1 869 . 5 1 1 A 84 84 ASN HA H 84 4.810 4.718 0.092 1 1 874 . 5 1 1 A 84 84 ASN C C 84 174.100 174.120 -0.020 1 1 875 . 5 1 1 A 84 84 ASN CA C 84 51.100 53.745 -2.645 1 1 876 . 5 1 1 A 84 84 ASN CB C 84 38.100 38.671 -0.571 1 1 877 . 5 1 1 A 84 84 ASN N N 84 115.800 118.956 -3.156 1 1 879 . 5 1 1 A 85 85 VAL H H 85 7.300 7.661 -0.361 1 1 880 . 5 1 1 A 85 85 VAL HA H 85 4.090 4.659 -0.569 1 1 888 . 5 1 1 A 85 85 VAL C C 85 173.700 174.293 -0.593 1 1 889 . 5 1 1 A 85 85 VAL CA C 85 61.600 60.406 1.194 1 1 890 . 5 1 1 A 85 85 VAL CB C 85 33.600 35.586 -1.986 1 1 893 . 5 1 1 A 85 85 VAL N N 85 120.200 119.190 1.010 1 1 894 . 5 1 1 A 86 86 LEU H H 86 9.850 9.002 0.848 1 1 895 . 5 1 1 A 86 86 LEU HA H 86 4.220 4.878 -0.658 1 1 905 . 5 1 1 A 86 86 LEU C C 86 176.800 177.777 -0.977 1 1 906 . 5 1 1 A 86 86 LEU CA C 86 55.000 54.030 0.970 1 1 907 . 5 1 1 A 86 86 LEU CB C 86 44.200 43.160 1.040 1 1 911 . 5 1 1 A 86 86 LEU N N 86 130.700 127.893 2.807 1 1 912 . 5 1 1 A 87 87 ALA H H 87 8.670 8.152 0.518 1 1 913 . 5 1 1 A 87 87 ALA HA H 87 4.110 4.529 -0.419 1 1 917 . 5 1 1 A 87 87 ALA C C 87 177.000 177.580 -0.580 1 1 918 . 5 1 1 A 87 87 ALA CA C 87 51.500 51.509 -0.009 1 1 919 . 5 1 1 A 87 87 ALA CB C 87 20.000 18.687 1.313 1 1 920 . 5 1 1 A 87 87 ALA N N 87 123.600 126.300 -2.700 1 1 921 . 5 1 1 A 88 88 LEU H H 88 8.590 7.986 0.604 1 1 922 . 5 1 1 A 88 88 LEU HA H 88 4.780 4.349 0.431 1 1 932 . 5 1 1 A 88 88 LEU C C 88 179.400 175.987 3.413 1 1 933 . 5 1 1 A 88 88 LEU CA C 88 53.500 57.054 -3.554 1 1 934 . 5 1 1 A 88 88 LEU CB C 88 41.600 40.777 0.823 1 1 938 . 5 1 1 A 88 88 LEU N N 88 116.800 116.861 -0.061 1 1 939 . 5 1 1 A 89 89 GLN H H 89 9.050 8.280 0.770 1 1 940 . 5 1 1 A 89 89 GLN HA H 89 4.340 5.004 -0.664 1 1 945 . 5 1 1 A 89 89 GLN C C 89 177.200 174.803 2.397 1 1 946 . 5 1 1 A 89 89 GLN CA C 89 55.800 53.785 2.015 1 1 947 . 5 1 1 A 89 89 GLN CB C 89 29.900 31.647 -1.747 1 1 949 . 5 1 1 A 89 89 GLN N N 89 120.900 117.247 3.653 1 1 951 . 5 1 1 A 90 90 SER H H 90 8.660 8.490 0.170 1 1 952 . 5 1 1 A 90 90 SER HA H 90 4.520 4.469 0.051 1 1 955 . 5 1 1 A 90 90 SER C C 90 174.100 174.376 -0.276 1 1 956 . 5 1 1 A 90 90 SER CA C 90 58.400 59.359 -0.959 1 1 957 . 5 1 1 A 90 90 SER CB C 90 63.800 63.685 0.115 1 1 958 . 5 1 1 A 90 90 SER N N 90 118.600 116.541 2.059 1 1 959 . 5 1 1 A 91 91 SER H H 91 8.360 8.673 -0.313 1 1 960 . 5 1 1 A 91 91 SER HA H 91 4.640 4.769 -0.129 1 1 963 . 5 1 1 A 91 91 SER C C 91 175.100 174.117 0.983 1 1 964 . 5 1 1 A 91 91 SER CA C 91 57.700 57.617 0.083 1 1 965 . 5 1 1 A 91 91 SER CB C 91 64.900 64.341 0.559 1 1 966 . 5 1 1 A 91 91 SER N N 91 117.100 120.311 -3.211 1 1 967 . 5 1 1 A 92 92 ALA H H 92 8.720 8.727 -0.007 1 1 968 . 5 1 1 A 92 92 ALA HA H 92 4.230 3.888 0.342 1 1 972 . 5 1 1 A 92 92 ALA C C 92 178.400 178.047 0.353 1 1 973 . 5 1 1 A 92 92 ALA CA C 92 54.000 55.017 -1.017 1 1 974 . 5 1 1 A 92 92 ALA CB C 92 18.700 18.051 0.649 1 1 975 . 5 1 1 A 92 92 ALA N N 92 127.600 127.763 -0.163 1 1 976 . 5 1 1 A 93 93 ALA H H 93 8.180 7.881 0.299 1 1 977 . 5 1 1 A 93 93 ALA HA H 93 4.340 4.315 0.025 1 1 981 . 5 1 1 A 93 93 ALA C C 93 178.000 177.562 0.438 1 1 982 . 5 1 1 A 93 93 ALA CA C 93 52.700 51.835 0.865 1 1 983 . 5 1 1 A 93 93 ALA CB C 93 19.100 18.898 0.202 1 1 984 . 5 1 1 A 93 93 ALA N N 93 119.800 117.482 2.318 1 1 985 . 5 1 1 A 94 94 GLY H H 94 7.880 7.873 0.007 1 1 986 . 5 1 1 A 94 94 GLY HA2 H 94 4.370 3.885 0.485 1 1 987 . 5 1 1 A 94 94 GLY HA3 H 94 3.780 3.888 -0.108 1 1 988 . 5 1 1 A 94 94 GLY C C 94 174.400 174.554 -0.154 1 1 989 . 5 1 1 A 94 94 GLY CA C 94 45.200 46.477 -1.277 1 1 990 . 5 1 1 A 94 94 GLY N N 94 107.900 108.460 -0.560 1 1 991 . 5 1 1 A 95 95 SER H H 95 8.510 8.388 0.122 1 1 992 . 5 1 1 A 95 95 SER HA H 95 5.060 4.312 0.748 1 1 995 . 5 1 1 A 95 95 SER C C 95 174.400 174.049 0.351 1 1 996 . 5 1 1 A 95 95 SER CA C 95 58.000 60.936 -2.936 1 1 997 . 5 1 1 A 95 95 SER CB C 95 65.100 61.978 3.122 1 1 998 . 5 1 1 A 95 95 SER N N 95 119.300 108.461 10.839 1 1 999 . 5 1 1 A 96 96 ALA H H 96 8.340 8.291 0.049 1 1 1000 . 5 1 1 A 96 96 ALA HA H 96 3.830 4.250 -0.420 1 1 1004 . 5 1 1 A 96 96 ALA C C 96 176.800 177.471 -0.671 1 1 1005 . 5 1 1 A 96 96 ALA CA C 96 53.200 52.333 0.867 1 1 1006 . 5 1 1 A 96 96 ALA CB C 96 19.700 19.579 0.121 1 1 1007 . 5 1 1 A 96 96 ALA N N 96 126.000 124.152 1.848 1 1 1008 . 5 1 1 A 97 97 THR H H 97 7.150 8.659 -1.509 1 1 1009 . 5 1 1 A 97 97 THR HA H 97 4.760 4.797 -0.037 1 1 1014 . 5 1 1 A 97 97 THR C C 97 173.100 173.624 -0.524 1 1 1015 . 5 1 1 A 97 97 THR CA C 97 60.300 60.016 0.284 1 1 1016 . 5 1 1 A 97 97 THR CB C 97 71.600 71.331 0.269 1 1 1018 . 5 1 1 A 97 97 THR N N 97 109.600 109.160 0.440 1 1 1019 . 5 1 1 A 98 98 ASN H H 98 8.920 8.729 0.191 1 1 1020 . 5 1 1 A 98 98 ASN HA H 98 4.030 4.267 -0.237 1 1 1025 . 5 1 1 A 98 98 ASN C C 98 173.600 173.902 -0.302 1 1 1026 . 5 1 1 A 98 98 ASN CA C 98 53.800 54.247 -0.447 1 1 1027 . 5 1 1 A 98 98 ASN CB C 98 35.500 37.320 -1.820 1 1 1028 . 5 1 1 A 98 98 ASN N N 98 112.300 117.852 -5.552 1 1 1030 . 5 1 1 A 99 99 VAL H H 99 7.170 7.587 -0.417 1 1 1031 . 5 1 1 A 99 99 VAL HA H 99 4.920 4.770 0.150 1 1 1039 . 5 1 1 A 99 99 VAL C C 99 172.400 174.215 -1.815 1 1 1040 . 5 1 1 A 99 99 VAL CA C 99 60.100 59.953 0.147 1 1 1041 . 5 1 1 A 99 99 VAL CB C 99 34.800 35.230 -0.430 1 1 1044 . 5 1 1 A 99 99 VAL N N 99 112.000 117.081 -5.081 1 1 1045 . 5 1 1 A 100 100 GLY H H 100 8.480 8.725 -0.245 1 1 1046 . 5 1 1 A 100 100 GLY HA2 H 100 3.960 4.340 -0.380 1 1 1047 . 5 1 1 A 100 100 GLY HA3 H 100 4.530 4.367 0.163 1 1 1048 . 5 1 1 A 100 100 GLY C C 100 172.600 171.954 0.646 1 1 1049 . 5 1 1 A 100 100 GLY CA C 100 45.000 45.113 -0.113 1 1 1050 . 5 1 1 A 100 100 GLY N N 100 112.100 112.825 -0.725 1 1 1051 . 5 1 1 A 101 101 VAL H H 101 8.030 8.460 -0.430 1 1 1052 . 5 1 1 A 101 101 VAL HA H 101 4.680 4.115 0.565 1 1 1060 . 5 1 1 A 101 101 VAL C C 101 174.500 175.497 -0.997 1 1 1061 . 5 1 1 A 101 101 VAL CA C 101 61.300 62.278 -0.978 1 1 1062 . 5 1 1 A 101 101 VAL CB C 101 34.900 31.882 3.018 1 1 1065 . 5 1 1 A 101 101 VAL N N 101 120.000 121.185 -1.185 1 1 1066 . 5 1 1 A 102 102 GLN H H 102 9.150 8.694 0.456 1 1 1067 . 5 1 1 A 102 102 GLN HA H 102 4.700 4.804 -0.104 1 1 1074 . 5 1 1 A 102 102 GLN C C 102 173.600 174.505 -0.905 1 1 1075 . 5 1 1 A 102 102 GLN CA C 102 54.100 55.083 -0.983 1 1 1076 . 5 1 1 A 102 102 GLN CB C 102 34.200 30.832 3.368 1 1 1078 . 5 1 1 A 102 102 GLN N N 102 124.500 125.970 -1.470 1 1 1080 . 5 1 1 A 103 103 ILE H H 103 9.560 8.413 1.147 1 1 1081 . 5 1 1 A 103 103 ILE HA H 103 4.440 4.844 -0.404 1 1 1091 . 5 1 1 A 103 103 ILE C C 103 174.000 174.972 -0.972 1 1 1092 . 5 1 1 A 103 103 ILE CA C 103 60.800 59.747 1.053 1 1 1093 . 5 1 1 A 103 103 ILE CB C 103 39.600 40.162 -0.562 1 1 1097 . 5 1 1 A 103 103 ILE N N 103 123.600 121.388 2.212 1 1 1098 . 5 1 1 A 104 104 LEU H H 104 9.380 9.105 0.275 1 1 1099 . 5 1 1 A 104 104 LEU HA H 104 5.320 4.936 0.384 1 1 1109 . 5 1 1 A 104 104 LEU C C 104 177.700 176.451 1.249 1 1 1110 . 5 1 1 A 104 104 LEU CA C 104 52.500 53.555 -1.055 1 1 1111 . 5 1 1 A 104 104 LEU CB C 104 43.900 45.667 -1.767 1 1 1115 . 5 1 1 A 104 104 LEU N N 104 125.000 126.656 -1.656 1 1 1116 . 5 1 1 A 105 105 ASP H H 105 8.200 8.758 -0.558 1 1 1117 . 5 1 1 A 105 105 ASP HA H 105 4.960 4.512 0.448 1 1 1120 . 5 1 1 A 105 105 ASP C C 105 179.000 177.874 1.126 1 1 1121 . 5 1 1 A 105 105 ASP CA C 105 52.000 53.044 -1.044 1 1 1122 . 5 1 1 A 105 105 ASP CB C 105 42.700 41.359 1.341 1 1 1123 . 5 1 1 A 105 105 ASP N N 105 117.900 122.875 -4.975 1 1 1124 . 5 1 1 A 106 106 ARG H H 106 8.680 8.552 0.128 1 1 1125 . 5 1 1 A 106 106 ARG HA H 106 4.040 3.969 0.071 1 1 1131 . 5 1 1 A 106 106 ARG C C 106 177.000 176.423 0.577 1 1 1132 . 5 1 1 A 106 106 ARG CA C 106 58.300 58.300 0.000 1 1 1133 . 5 1 1 A 106 106 ARG CB C 106 29.300 29.493 -0.193 1 1 1136 . 5 1 1 A 106 106 ARG N N 106 117.500 118.179 -0.679 1 1 1138 . 5 1 1 A 107 107 THR H H 107 8.180 7.680 0.500 1 1 1139 . 5 1 1 A 107 107 THR HA H 107 4.380 4.485 -0.105 1 1 1144 . 5 1 1 A 107 107 THR C C 107 175.800 175.963 -0.163 1 1 1145 . 5 1 1 A 107 107 THR CA C 107 62.100 61.874 0.226 1 1 1146 . 5 1 1 A 107 107 THR CB C 107 70.200 70.746 -0.546 1 1 1148 . 5 1 1 A 107 107 THR N N 107 111.000 107.959 3.041 1 1 1149 . 5 1 1 A 108 108 GLY H H 108 8.250 8.159 0.091 1 1 1150 . 5 1 1 A 108 108 GLY HA2 H 108 3.460 3.960 -0.500 1 1 1151 . 5 1 1 A 108 108 GLY HA3 H 108 4.310 3.962 0.348 1 1 1152 . 5 1 1 A 108 108 GLY C C 108 172.600 174.599 -1.999 1 1 1153 . 5 1 1 A 108 108 GLY CA C 108 45.000 45.704 -0.704 1 1 1154 . 5 1 1 A 108 108 GLY N N 108 109.900 110.960 -1.060 1 1 1155 . 5 1 1 A 109 109 ALA H H 109 7.380 8.021 -0.641 1 1 1156 . 5 1 1 A 109 109 ALA HA H 109 4.280 4.498 -0.218 1 1 1160 . 5 1 1 A 109 109 ALA C C 109 176.300 176.209 0.091 1 1 1161 . 5 1 1 A 109 109 ALA CA C 109 51.500 50.793 0.707 1 1 1162 . 5 1 1 A 109 109 ALA CB C 109 19.800 17.265 2.535 1 1 1163 . 5 1 1 A 109 109 ALA N N 109 123.700 122.820 0.880 1 1 1164 . 5 1 1 A 110 110 ALA H H 110 8.240 7.978 0.262 1 1 1165 . 5 1 1 A 110 110 ALA HA H 110 4.710 3.866 0.844 1 1 1169 . 5 1 1 A 110 110 ALA C C 110 178.500 176.803 1.697 1 1 1170 . 5 1 1 A 110 110 ALA CA C 110 51.500 52.747 -1.247 1 1 1171 . 5 1 1 A 110 110 ALA CB C 110 18.800 17.622 1.178 1 1 1172 . 5 1 1 A 110 110 ALA N N 110 123.400 117.413 5.987 1 1 1173 . 5 1 1 A 111 111 LEU H H 111 8.880 8.511 0.369 1 1 1174 . 5 1 1 A 111 111 LEU HA H 111 4.480 4.453 0.027 1 1 1184 . 5 1 1 A 111 111 LEU C C 111 176.900 176.459 0.441 1 1 1185 . 5 1 1 A 111 111 LEU CA C 111 54.500 54.511 -0.011 1 1 1186 . 5 1 1 A 111 111 LEU CB C 111 42.400 42.331 0.069 1 1 1190 . 5 1 1 A 111 111 LEU N N 111 125.900 120.388 5.512 1 1 1191 . 5 1 1 A 112 112 THR H H 112 7.980 8.679 -0.699 1 1 1192 . 5 1 1 A 112 112 THR HA H 112 3.940 4.977 -1.037 1 1 1197 . 5 1 1 A 112 112 THR C C 112 174.700 173.900 0.800 1 1 1198 . 5 1 1 A 112 112 THR CA C 112 63.600 61.034 2.566 1 1 1199 . 5 1 1 A 112 112 THR CB C 112 69.100 72.051 -2.951 1 1 1201 . 5 1 1 A 112 112 THR N N 112 114.300 115.926 -1.626 1 1 1202 . 5 1 1 A 113 113 LEU H H 113 7.460 8.624 -1.164 1 1 1203 . 5 1 1 A 113 113 LEU HA H 113 4.860 5.027 -0.167 1 1 1213 . 5 1 1 A 113 113 LEU C C 113 177.000 176.613 0.387 1 1 1214 . 5 1 1 A 113 113 LEU CA C 113 54.700 53.727 0.973 1 1 1215 . 5 1 1 A 113 113 LEU CB C 113 42.100 41.910 0.190 1 1 1219 . 5 1 1 A 113 113 LEU N N 113 124.600 124.123 0.477 1 1 1220 . 5 1 1 A 114 114 ASP H H 114 7.680 7.974 -0.294 1 1 1221 . 5 1 1 A 114 114 ASP HA H 114 4.640 4.739 -0.099 1 1 1224 . 5 1 1 A 114 114 ASP C C 114 178.100 177.110 0.990 1 1 1225 . 5 1 1 A 114 114 ASP CA C 114 53.600 53.845 -0.245 1 1 1226 . 5 1 1 A 114 114 ASP CB C 114 41.400 42.115 -0.715 1 1 1227 . 5 1 1 A 114 114 ASP N N 114 116.100 120.482 -4.382 1 1 1228 . 5 1 1 A 115 115 GLY H H 115 8.730 8.534 0.196 1 1 1229 . 5 1 1 A 115 115 GLY HA2 H 115 3.920 3.917 0.003 1 1 1230 . 5 1 1 A 115 115 GLY HA3 H 115 3.190 3.927 -0.737 1 1 1231 . 5 1 1 A 115 115 GLY C C 115 172.400 174.910 -2.510 1 1 1232 . 5 1 1 A 115 115 GLY CA C 115 46.500 46.370 0.130 1 1 1233 . 5 1 1 A 115 115 GLY N N 115 110.200 109.193 1.007 1 1 1234 . 5 1 1 A 116 116 ALA H H 116 7.930 7.825 0.105 1 1 1235 . 5 1 1 A 116 116 ALA HA H 116 4.380 4.589 -0.209 1 1 1239 . 5 1 1 A 116 116 ALA C C 116 176.100 176.707 -0.607 1 1 1240 . 5 1 1 A 116 116 ALA CA C 116 51.300 51.214 0.086 1 1 1241 . 5 1 1 A 116 116 ALA CB C 116 20.700 19.586 1.114 1 1 1242 . 5 1 1 A 116 116 ALA N N 116 120.900 120.297 0.603 1 1 1243 . 5 1 1 A 117 117 THR H H 117 7.720 7.635 0.085 1 1 1244 . 5 1 1 A 117 117 THR HA H 117 4.400 4.816 -0.416 1 1 1249 . 5 1 1 A 117 117 THR C C 117 173.700 174.165 -0.465 1 1 1250 . 5 1 1 A 117 117 THR CA C 117 62.000 61.671 0.329 1 1 1251 . 5 1 1 A 117 117 THR CB C 117 68.400 70.030 -1.630 1 1 1253 . 5 1 1 A 117 117 THR N N 117 118.200 114.335 3.865 1 1 1254 . 5 1 1 A 118 118 PHE H H 118 8.880 9.053 -0.173 1 1 1255 . 5 1 1 A 118 118 PHE HA H 118 4.280 4.760 -0.480 1 1 1256 . 5 1 1 A 118 118 PHE C C 118 176.400 175.447 0.953 1 1 1257 . 5 1 1 A 118 118 PHE CA C 118 59.000 57.452 1.548 1 1 1258 . 5 1 1 A 118 118 PHE CB C 118 40.300 39.747 0.553 1 1 1259 . 5 1 1 A 118 118 PHE N N 118 126.400 125.969 0.431 1 1 1260 . 5 1 1 A 119 119 SER H H 119 9.240 9.204 0.036 1 1 1261 . 5 1 1 A 119 119 SER HA H 119 4.570 4.857 -0.287 1 1 1264 . 5 1 1 A 119 119 SER C C 119 172.700 174.340 -1.640 1 1 1265 . 5 1 1 A 119 119 SER CA C 119 58.100 57.741 0.359 1 1 1266 . 5 1 1 A 119 119 SER CB C 119 66.400 65.195 1.205 1 1 1267 . 5 1 1 A 119 119 SER N N 119 116.900 116.704 0.196 1 1 1268 . 5 1 1 A 120 120 SER H H 120 9.030 8.740 0.290 1 1 1269 . 5 1 1 A 120 120 SER HA H 120 4.220 4.348 -0.128 1 1 1272 . 5 1 1 A 120 120 SER C C 120 175.800 172.990 2.810 1 1 1273 . 5 1 1 A 120 120 SER CA C 120 59.500 58.644 0.856 1 1 1274 . 5 1 1 A 120 120 SER CB C 120 62.800 62.687 0.113 1 1 1275 . 5 1 1 A 120 120 SER N N 120 113.500 121.962 -8.462 1 1 1276 . 5 1 1 A 121 121 GLU H H 121 8.890 8.925 -0.035 1 1 1277 . 5 1 1 A 121 121 GLU HA H 121 4.440 5.331 -0.891 1 1 1282 . 5 1 1 A 121 121 GLU C C 121 177.300 175.809 1.491 1 1 1283 . 5 1 1 A 121 121 GLU CA C 121 57.400 54.819 2.581 1 1 1284 . 5 1 1 A 121 121 GLU CB C 121 30.600 33.404 -2.804 1 1 1286 . 5 1 1 A 121 121 GLU N N 121 123.700 122.507 1.193 1 1 1287 . 5 1 1 A 122 122 THR H H 122 9.370 8.614 0.756 1 1 1288 . 5 1 1 A 122 122 THR HA H 122 4.530 4.839 -0.309 1 1 1293 . 5 1 1 A 122 122 THR C C 122 173.900 173.488 0.412 1 1 1294 . 5 1 1 A 122 122 THR CA C 122 62.500 61.547 0.953 1 1 1295 . 5 1 1 A 122 122 THR CB C 122 72.000 71.499 0.501 1 1 1297 . 5 1 1 A 122 122 THR N N 122 122.600 117.014 5.586 1 1 1298 . 5 1 1 A 123 123 THR H H 123 8.930 8.714 0.216 1 1 1299 . 5 1 1 A 123 123 THR HA H 123 4.400 4.675 -0.275 1 1 1304 . 5 1 1 A 123 123 THR C C 123 173.900 174.422 -0.522 1 1 1305 . 5 1 1 A 123 123 THR CA C 123 63.500 63.231 0.269 1 1 1306 . 5 1 1 A 123 123 THR CB C 123 68.700 69.232 -0.532 1 1 1308 . 5 1 1 A 123 123 THR N N 123 124.900 121.898 3.002 1 1 1309 . 5 1 1 A 124 124 LEU H H 124 8.360 9.018 -0.658 1 1 1310 . 5 1 1 A 124 124 LEU HA H 124 4.240 5.035 -0.795 1 1 1320 . 5 1 1 A 124 124 LEU C C 124 176.400 175.637 0.763 1 1 1321 . 5 1 1 A 124 124 LEU CA C 124 54.300 53.218 1.082 1 1 1322 . 5 1 1 A 124 124 LEU CB C 124 43.300 44.462 -1.162 1 1 1326 . 5 1 1 A 124 124 LEU N N 124 127.700 126.432 1.268 1 1 1327 . 5 1 1 A 125 125 ASN H H 125 8.950 9.208 -0.258 1 1 1328 . 5 1 1 A 125 125 ASN HA H 125 4.930 5.338 -0.408 1 1 1333 . 5 1 1 A 125 125 ASN C C 125 175.800 174.231 1.569 1 1 1334 . 5 1 1 A 125 125 ASN CA C 125 51.100 51.328 -0.228 1 1 1335 . 5 1 1 A 125 125 ASN CB C 125 41.800 42.695 -0.895 1 1 1336 . 5 1 1 A 125 125 ASN N N 125 117.400 116.405 0.995 1 1 1338 . 5 1 1 A 126 126 ASN H H 126 8.890 8.702 0.188 1 1 1339 . 5 1 1 A 126 126 ASN HA H 126 4.640 5.087 -0.447 1 1 1344 . 5 1 1 A 126 126 ASN C C 126 177.400 175.615 1.785 1 1 1345 . 5 1 1 A 126 126 ASN CA C 126 54.500 53.965 0.535 1 1 1346 . 5 1 1 A 126 126 ASN CB C 126 38.200 36.975 1.225 1 1 1347 . 5 1 1 A 126 126 ASN N N 126 120.300 119.158 1.142 1 1 1349 . 5 1 1 A 127 127 GLY H H 127 9.090 8.176 0.914 1 1 1350 . 5 1 1 A 127 127 GLY HA2 H 127 3.650 4.075 -0.425 1 1 1351 . 5 1 1 A 127 127 GLY HA3 H 127 4.400 4.076 0.324 1 1 1352 . 5 1 1 A 127 127 GLY CA C 127 45.600 44.345 1.255 1 1 1353 . 5 1 1 A 127 127 GLY N N 127 112.300 111.280 1.020 1 1 1354 . 5 1 1 A 128 128 THR H H 128 8.870 8.426 0.444 1 1 1355 . 5 1 1 A 128 128 THR HA H 128 5.270 4.839 0.431 1 1 1360 . 5 1 1 A 128 128 THR C C 128 175.700 173.895 1.805 1 1 1361 . 5 1 1 A 128 128 THR CA C 128 63.500 62.857 0.643 1 1 1362 . 5 1 1 A 128 128 THR CB C 128 69.600 69.988 -0.388 1 1 1364 . 5 1 1 A 128 128 THR N N 128 123.700 116.676 7.024 1 1 1365 . 5 1 1 A 129 129 ASN H H 129 10.060 9.035 1.025 1 1 1366 . 5 1 1 A 129 129 ASN HA H 129 5.070 5.373 -0.303 1 1 1371 . 5 1 1 A 129 129 ASN C C 129 172.700 175.071 -2.371 1 1 1372 . 5 1 1 A 129 129 ASN CA C 129 52.700 52.166 0.534 1 1 1373 . 5 1 1 A 129 129 ASN CB C 129 44.400 43.030 1.370 1 1 1374 . 5 1 1 A 129 129 ASN N N 129 125.700 123.353 2.347 1 1 1376 . 5 1 1 A 130 130 THR H H 130 9.030 8.729 0.301 1 1 1377 . 5 1 1 A 130 130 THR HA H 130 4.790 5.155 -0.365 1 1 1382 . 5 1 1 A 130 130 THR C C 130 172.900 173.068 -0.168 1 1 1383 . 5 1 1 A 130 130 THR CA C 130 61.800 61.414 0.386 1 1 1384 . 5 1 1 A 130 130 THR CB C 130 70.100 72.650 -2.550 1 1 1386 . 5 1 1 A 130 130 THR N N 130 117.800 114.538 3.262 1 1 1387 . 5 1 1 A 131 131 ILE H H 131 9.050 8.724 0.326 1 1 1388 . 5 1 1 A 131 131 ILE HA H 131 4.480 4.554 -0.074 1 1 1398 . 5 1 1 A 131 131 ILE CA C 131 58.300 57.656 0.644 1 1 1399 . 5 1 1 A 131 131 ILE CB C 131 39.600 39.016 0.584 1 1 1403 . 5 1 1 A 131 131 ILE N N 131 128.200 124.938 3.262 1 1 1404 . 5 1 1 A 132 132 PRO HA H 132 4.940 4.875 0.065 1 1 1409 . 5 1 1 A 132 132 PRO C C 132 175.200 175.284 -0.084 1 1 1410 . 5 1 1 A 132 132 PRO CA C 132 62.200 62.225 -0.025 1 1 1411 . 5 1 1 A 132 132 PRO CB C 132 32.900 32.809 0.091 1 1 1414 . 5 1 1 A 133 133 PHE H H 133 8.460 8.441 0.019 1 1 1415 . 5 1 1 A 133 133 PHE HA H 133 4.530 5.176 -0.646 1 1 1418 . 5 1 1 A 133 133 PHE C C 133 175.600 174.282 1.318 1 1 1419 . 5 1 1 A 133 133 PHE CA C 133 57.000 56.229 0.771 1 1 1420 . 5 1 1 A 133 133 PHE CB C 133 45.000 44.119 0.881 1 1 1424 . 5 1 1 A 133 133 PHE N N 133 117.000 120.558 -3.558 1 1 1425 . 5 1 1 A 134 134 GLN H H 134 8.830 9.072 -0.242 1 1 1426 . 5 1 1 A 134 134 GLN HA H 134 5.490 5.284 0.206 1 1 1431 . 5 1 1 A 134 134 GLN C C 134 174.500 174.967 -0.467 1 1 1432 . 5 1 1 A 134 134 GLN CA C 134 54.200 54.357 -0.157 1 1 1433 . 5 1 1 A 134 134 GLN CB C 134 35.000 32.820 2.180 1 1 1435 . 5 1 1 A 134 134 GLN N N 134 117.300 119.054 -1.754 1 1 1437 . 5 1 1 A 135 135 ALA H H 135 9.280 9.582 -0.302 1 1 1438 . 5 1 1 A 135 135 ALA HA H 135 5.620 5.290 0.330 1 1 1442 . 5 1 1 A 135 135 ALA C C 135 174.900 175.694 -0.794 1 1 1443 . 5 1 1 A 135 135 ALA CA C 135 50.500 50.296 0.204 1 1 1444 . 5 1 1 A 135 135 ALA CB C 135 25.000 21.864 3.136 1 1 1445 . 5 1 1 A 135 135 ALA N N 135 121.800 124.766 -2.966 1 1 1446 . 5 1 1 A 136 136 ARG H H 136 8.380 8.280 0.100 1 1 1447 . 5 1 1 A 136 136 ARG HA H 136 4.520 4.840 -0.320 1 1 1453 . 5 1 1 A 136 136 ARG C C 136 173.600 174.505 -0.905 1 1 1454 . 5 1 1 A 136 136 ARG CA C 136 53.900 54.740 -0.840 1 1 1455 . 5 1 1 A 136 136 ARG CB C 136 33.400 33.676 -0.276 1 1 1457 . 5 1 1 A 136 136 ARG N N 136 113.300 116.061 -2.761 1 1 1459 . 5 1 1 A 137 137 TYR H H 137 8.550 8.582 -0.032 1 1 1460 . 5 1 1 A 137 137 TYR HA H 137 5.360 4.954 0.406 1 1 1463 . 5 1 1 A 137 137 TYR C C 137 175.500 175.534 -0.034 1 1 1464 . 5 1 1 A 137 137 TYR CA C 137 58.300 59.095 -0.795 1 1 1465 . 5 1 1 A 137 137 TYR CB C 137 39.900 39.175 0.725 1 1 1468 . 5 1 1 A 137 137 TYR N N 137 118.500 121.244 -2.744 1 1 1469 . 5 1 1 A 138 138 PHE H H 138 8.870 9.310 -0.440 1 1 1470 . 5 1 1 A 138 138 PHE HA H 138 4.920 5.425 -0.505 1 1 1474 . 5 1 1 A 138 138 PHE C C 138 173.600 173.317 0.283 1 1 1475 . 5 1 1 A 138 138 PHE CA C 138 56.400 56.120 0.280 1 1 1476 . 5 1 1 A 138 138 PHE CB C 138 44.100 42.650 1.450 1 1 1480 . 5 1 1 A 138 138 PHE N N 138 122.300 123.193 -0.893 1 1 1481 . 5 1 1 A 139 139 ALA H H 139 8.730 8.660 0.070 1 1 1482 . 5 1 1 A 139 139 ALA HA H 139 5.040 5.159 -0.119 1 1 1486 . 5 1 1 A 139 139 ALA C C 139 176.200 178.490 -2.290 1 1 1487 . 5 1 1 A 139 139 ALA CA C 139 51.000 50.067 0.933 1 1 1488 . 5 1 1 A 139 139 ALA CB C 139 19.700 21.809 -2.109 1 1 1489 . 5 1 1 A 139 139 ALA N N 139 131.200 130.374 0.826 1 1 1490 . 5 1 1 A 140 140 THR H H 140 8.230 9.110 -0.880 1 1 1491 . 5 1 1 A 140 140 THR HA H 140 4.260 4.670 -0.410 1 1 1496 . 5 1 1 A 140 140 THR C C 140 173.800 174.132 -0.332 1 1 1497 . 5 1 1 A 140 140 THR CA C 140 60.800 61.115 -0.315 1 1 1498 . 5 1 1 A 140 140 THR CB C 140 67.100 69.231 -2.131 1 1 1500 . 5 1 1 A 140 140 THR N N 140 111.900 111.745 0.155 1 1 1501 . 5 1 1 A 141 141 GLY H H 141 7.450 7.347 0.103 1 1 1502 . 5 1 1 A 141 141 GLY HA2 H 141 3.620 4.055 -0.435 1 1 1503 . 5 1 1 A 141 141 GLY HA3 H 141 3.710 4.065 -0.355 1 1 1504 . 5 1 1 A 141 141 GLY C C 141 169.500 171.955 -2.455 1 1 1505 . 5 1 1 A 141 141 GLY CA C 141 44.300 45.913 -1.613 1 1 1506 . 5 1 1 A 141 141 GLY N N 141 110.300 109.370 0.930 1 1 1507 . 5 1 1 A 142 142 ALA H H 142 8.280 8.230 0.050 1 1 1508 . 5 1 1 A 142 142 ALA HA H 142 4.260 4.240 0.020 1 1 1512 . 5 1 1 A 142 142 ALA C C 142 177.200 176.879 0.321 1 1 1513 . 5 1 1 A 142 142 ALA CA C 142 52.100 51.998 0.102 1 1 1514 . 5 1 1 A 142 142 ALA CB C 142 17.200 18.322 -1.122 1 1 1515 . 5 1 1 A 142 142 ALA N N 142 121.800 123.999 -2.199 1 1 1516 . 5 1 1 A 143 143 ALA H H 143 8.520 8.061 0.459 1 1 1517 . 5 1 1 A 143 143 ALA HA H 143 4.670 4.378 0.292 1 1 1521 . 5 1 1 A 143 143 ALA C C 143 178.100 177.353 0.747 1 1 1522 . 5 1 1 A 143 143 ALA CA C 143 52.500 52.886 -0.386 1 1 1523 . 5 1 1 A 143 143 ALA CB C 143 21.200 19.024 2.176 1 1 1524 . 5 1 1 A 143 143 ALA N N 143 130.000 124.615 5.385 1 1 1525 . 5 1 1 A 144 144 THR H H 144 7.590 8.287 -0.697 1 1 1526 . 5 1 1 A 144 144 THR HA H 144 4.710 4.861 -0.151 1 1 1531 . 5 1 1 A 144 144 THR CA C 144 58.200 60.119 -1.919 1 1 1532 . 5 1 1 A 144 144 THR CB C 144 68.100 69.069 -0.969 1 1 1534 . 5 1 1 A 144 144 THR N N 144 110.000 116.227 -6.227 1 1 1535 . 5 1 1 A 145 145 PRO HA H 145 4.020 4.522 -0.502 1 1 1542 . 5 1 1 A 145 145 PRO C C 145 176.700 175.610 1.090 1 1 1543 . 5 1 1 A 145 145 PRO CA C 145 62.600 62.746 -0.146 1 1 1544 . 5 1 1 A 145 145 PRO CB C 145 33.000 33.566 -0.566 1 1 1547 . 5 1 1 A 146 146 GLY H H 146 8.850 8.082 0.768 1 1 1548 . 5 1 1 A 146 146 GLY HA2 H 146 3.790 4.201 -0.411 1 1 1549 . 5 1 1 A 146 146 GLY HA3 H 146 4.360 4.208 0.152 1 1 1550 . 5 1 1 A 146 146 GLY C C 146 172.500 171.804 0.696 1 1 1551 . 5 1 1 A 146 146 GLY CA C 146 44.200 45.833 -1.633 1 1 1552 . 5 1 1 A 146 146 GLY N N 146 107.700 108.306 -0.606 1 1 1553 . 5 1 1 A 147 147 ALA H H 147 8.360 8.456 -0.096 1 1 1554 . 5 1 1 A 147 147 ALA HA H 147 4.160 5.061 -0.901 1 1 1558 . 5 1 1 A 147 147 ALA C C 147 177.900 175.636 2.264 1 1 1559 . 5 1 1 A 147 147 ALA CA C 147 54.200 50.766 3.434 1 1 1560 . 5 1 1 A 147 147 ALA CB C 147 19.400 23.279 -3.879 1 1 1561 . 5 1 1 A 147 147 ALA N N 147 122.500 124.969 -2.469 1 1 1562 . 5 1 1 A 148 148 ALA H H 148 8.660 8.405 0.255 1 1 1563 . 5 1 1 A 148 148 ALA HA H 148 4.940 4.856 0.084 1 1 1567 . 5 1 1 A 148 148 ALA C C 148 173.800 176.229 -2.429 1 1 1568 . 5 1 1 A 148 148 ALA CA C 148 51.200 51.328 -0.128 1 1 1569 . 5 1 1 A 148 148 ALA CB C 148 18.300 19.566 -1.266 1 1 1570 . 5 1 1 A 148 148 ALA N N 148 129.300 121.248 8.052 1 1 1571 . 5 1 1 A 149 149 ASN H H 149 8.820 9.119 -0.299 1 1 1572 . 5 1 1 A 149 149 ASN HA H 149 5.640 5.944 -0.304 1 1 1577 . 5 1 1 A 149 149 ASN C C 149 174.400 174.382 0.018 1 1 1578 . 5 1 1 A 149 149 ASN CA C 149 51.300 51.973 -0.673 1 1 1579 . 5 1 1 A 149 149 ASN CB C 149 40.400 42.504 -2.104 1 1 1580 . 5 1 1 A 149 149 ASN N N 149 121.200 121.918 -0.718 1 1 1582 . 5 1 1 A 150 150 ALA H H 150 9.100 9.367 -0.267 1 1 1583 . 5 1 1 A 150 150 ALA HA H 150 4.890 5.079 -0.189 1 1 1587 . 5 1 1 A 150 150 ALA C C 150 174.600 175.218 -0.618 1 1 1588 . 5 1 1 A 150 150 ALA CA C 150 52.200 51.192 1.008 1 1 1589 . 5 1 1 A 150 150 ALA CB C 150 25.100 24.514 0.586 1 1 1590 . 5 1 1 A 150 150 ALA N N 150 122.600 122.585 0.015 1 1 1591 . 5 1 1 A 151 151 ASP H H 151 9.010 9.073 -0.063 1 1 1592 . 5 1 1 A 151 151 ASP HA H 151 5.870 5.529 0.341 1 1 1595 . 5 1 1 A 151 151 ASP C C 151 174.100 174.862 -0.762 1 1 1596 . 5 1 1 A 151 151 ASP CA C 151 53.400 53.069 0.331 1 1 1597 . 5 1 1 A 151 151 ASP CB C 151 45.300 43.254 2.046 1 1 1598 . 5 1 1 A 151 151 ASP N N 151 120.000 117.248 2.752 1 1 1599 . 5 1 1 A 152 152 ALA H H 152 8.870 8.652 0.218 1 1 1600 . 5 1 1 A 152 152 ALA HA H 152 5.160 5.367 -0.207 1 1 1604 . 5 1 1 A 152 152 ALA C C 152 176.400 176.002 0.398 1 1 1605 . 5 1 1 A 152 152 ALA CA C 152 51.200 50.555 0.645 1 1 1606 . 5 1 1 A 152 152 ALA CB C 152 23.400 24.108 -0.708 1 1 1607 . 5 1 1 A 152 152 ALA N N 152 120.700 123.958 -3.258 1 1 1608 . 5 1 1 A 153 153 THR H H 153 8.830 8.880 -0.050 1 1 1609 . 5 1 1 A 153 153 THR HA H 153 5.350 5.293 0.057 1 1 1614 . 5 1 1 A 153 153 THR C C 153 173.900 173.541 0.359 1 1 1615 . 5 1 1 A 153 153 THR CA C 153 60.100 59.168 0.932 1 1 1616 . 5 1 1 A 153 153 THR CB C 153 71.900 71.653 0.247 1 1 1618 . 5 1 1 A 153 153 THR N N 153 111.300 108.732 2.568 1 1 1619 . 5 1 1 A 154 154 PHE H H 154 8.460 8.570 -0.110 1 1 1620 . 5 1 1 A 154 154 PHE HA H 154 5.760 5.039 0.721 1 1 1621 . 5 1 1 A 154 154 PHE C C 154 174.500 175.314 -0.814 1 1 1622 . 5 1 1 A 154 154 PHE CA C 154 55.600 55.055 0.545 1 1 1623 . 5 1 1 A 154 154 PHE CB C 154 42.300 40.381 1.919 1 1 1625 . 5 1 1 A 154 154 PHE N N 154 114.500 119.171 -4.671 1 1 1626 . 5 1 1 A 155 155 LYS H H 155 8.780 8.552 0.228 1 1 1627 . 5 1 1 A 155 155 LYS HA H 155 4.810 4.400 0.410 1 1 1632 . 5 1 1 A 155 155 LYS C C 155 174.800 175.712 -0.912 1 1 1633 . 5 1 1 A 155 155 LYS CA C 155 54.600 55.883 -1.283 1 1 1634 . 5 1 1 A 155 155 LYS CB C 155 36.800 34.044 2.756 1 1 1638 . 5 1 1 A 155 155 LYS N N 155 120.700 121.552 -0.852 1 1 1639 . 5 1 1 A 156 156 VAL H H 156 8.690 8.831 -0.141 1 1 1640 . 5 1 1 A 156 156 VAL HA H 156 4.840 4.966 -0.126 1 1 1648 . 5 1 1 A 156 156 VAL C C 156 173.200 173.952 -0.752 1 1 1649 . 5 1 1 A 156 156 VAL CA C 156 60.900 59.545 1.355 1 1 1650 . 5 1 1 A 156 156 VAL CB C 156 34.100 35.098 -0.998 1 1 1653 . 5 1 1 A 156 156 VAL N N 156 120.300 120.975 -0.675 1 1 1654 . 5 1 1 A 157 157 GLN H H 157 9.040 8.978 0.062 1 1 1655 . 5 1 1 A 157 157 GLN HA H 157 5.130 4.919 0.211 1 1 1662 . 5 1 1 A 157 157 GLN C C 157 174.300 174.335 -0.035 1 1 1663 . 5 1 1 A 157 157 GLN CA C 157 53.500 54.987 -1.487 1 1 1664 . 5 1 1 A 157 157 GLN CB C 157 34.500 30.094 4.406 1 1 1666 . 5 1 1 A 157 157 GLN N N 157 126.200 126.598 -0.398 1 1 1668 . 5 1 1 A 158 158 TYR H H 158 9.130 8.270 0.860 1 1 1669 . 5 1 1 A 158 158 TYR HA H 158 5.310 4.877 0.433 1 1 1672 . 5 1 1 A 158 158 TYR C C 158 175.800 175.670 0.130 1 1 1673 . 5 1 1 A 158 158 TYR CA C 158 56.800 58.633 -1.833 1 1 1674 . 5 1 1 A 158 158 TYR CB C 158 40.600 39.224 1.376 1 1 1677 . 5 1 1 A 158 158 TYR N N 158 126.400 126.555 -0.155 1 1 1678 . 5 1 1 A 159 159 GLN H H 159 8.580 8.754 -0.174 1 1 1679 . 5 1 1 A 159 159 GLN HA H 159 4.890 5.137 -0.247 1 1 1686 . 5 1 1 A 159 159 GLN C C 159 175.800 174.932 0.868 1 1 1687 . 5 1 1 A 159 159 GLN CA C 159 54.800 54.489 0.311 1 1 1688 . 5 1 1 A 159 159 GLN CB C 159 32.500 32.117 0.383 1 1 1690 . 5 1 1 A 159 159 GLN N N 159 119.700 117.896 1.804 1 1 1692 . 5 1 1 A 160 160 GLY H H 160 8.740 8.329 0.411 1 1 1693 . 5 1 1 A 160 160 GLY HA2 H 160 4.120 3.990 0.130 1 1 1694 . 5 1 1 A 160 160 GLY HA3 H 160 4.180 4.000 0.180 1 1 1695 . 5 1 1 A 160 160 GLY C C 160 174.800 175.731 -0.931 1 1 1696 . 5 1 1 A 160 160 GLY CA C 160 45.400 45.435 -0.035 1 1 1697 . 5 1 1 A 160 160 GLY N N 160 109.800 108.319 1.481 1 1 1698 . 5 1 1 A 161 161 GLY H H 161 8.560 8.210 0.350 1 1 1699 . 5 1 1 A 161 161 GLY C C 161 175.300 176.266 -0.966 1 1 1700 . 5 1 1 A 161 161 GLY CA C 161 45.100 47.336 -2.236 1 1 1701 . 5 1 1 A 161 161 GLY N N 161 109.200 109.200 0.000 1 1 1702 . 5 1 1 A 162 162 GLY H H 162 8.480 8.367 0.113 1 1 1703 . 5 1 1 A 162 162 GLY HA2 H 162 4.040 3.792 0.248 1 1 1704 . 5 1 1 A 162 162 GLY HA3 H 162 3.910 3.794 0.116 1 1 1705 . 5 1 1 A 162 162 GLY C C 162 175.400 175.492 -0.092 1 1 1706 . 5 1 1 A 162 162 GLY CA C 162 45.800 47.112 -1.312 1 1 1707 . 5 1 1 A 162 162 GLY N N 162 108.700 108.155 0.545 1 1 1708 . 5 1 1 A 163 163 GLY H H 163 8.500 8.662 -0.162 1 1 1709 . 5 1 1 A 163 163 GLY HA2 H 163 3.960 3.957 0.003 1 1 1710 . 5 1 1 A 163 163 GLY HA3 H 163 3.980 3.964 0.016 1 1 1711 . 5 1 1 A 163 163 GLY C C 163 175.400 174.129 1.271 1 1 1712 . 5 1 1 A 163 163 GLY CA C 163 45.700 46.490 -0.790 1 1 1713 . 5 1 1 A 163 163 GLY N N 163 109.000 106.657 2.343 1 1 1714 . 5 1 1 A 164 164 GLY H H 164 8.290 8.068 0.222 1 1 1715 . 5 1 1 A 164 164 GLY HA2 H 164 3.890 3.979 -0.089 1 1 1716 . 5 1 1 A 164 164 GLY HA3 H 164 3.980 3.989 -0.009 1 1 1717 . 5 1 1 A 164 164 GLY C C 164 175.100 174.888 0.212 1 1 1718 . 5 1 1 A 164 164 GLY CA C 164 45.700 45.615 0.085 1 1 1719 . 5 1 1 A 164 164 GLY N N 164 109.100 106.460 2.640 1 1 1720 . 5 1 1 A 165 165 GLY H H 165 8.210 8.244 -0.034 1 1 1721 . 5 1 1 A 165 165 GLY HA2 H 165 3.950 4.007 -0.057 1 1 1722 . 5 1 1 A 165 165 GLY HA3 H 165 3.920 4.015 -0.095 1 1 1723 . 5 1 1 A 165 165 GLY C C 165 173.900 173.136 0.764 1 1 1724 . 5 1 1 A 165 165 GLY CA C 165 45.200 45.374 -0.174 1 1 1725 . 5 1 1 A 165 165 GLY N N 165 108.500 107.720 0.780 1 1 1726 . 5 1 1 A 166 166 ALA H H 166 8.110 7.734 0.376 1 1 1727 . 5 1 1 A 166 166 ALA HA H 166 4.370 4.808 -0.438 1 1 1731 . 5 1 1 A 166 166 ALA C C 166 177.100 176.146 0.954 1 1 1732 . 5 1 1 A 166 166 ALA CA C 166 52.100 51.155 0.945 1 1 1733 . 5 1 1 A 166 166 ALA CB C 166 19.800 20.222 -0.422 1 1 1734 . 5 1 1 A 166 166 ALA N N 166 123.800 123.019 0.781 1 1 1735 . 5 1 1 A 167 167 ALA H H 167 8.350 8.794 -0.444 1 1 1736 . 5 1 1 A 167 167 ALA HA H 167 4.840 5.201 -0.361 1 1 1740 . 5 1 1 A 167 167 ALA C C 167 177.800 175.111 2.689 1 1 1741 . 5 1 1 A 167 167 ALA CA C 167 51.900 51.305 0.595 1 1 1742 . 5 1 1 A 167 167 ALA CB C 167 20.000 24.226 -4.226 1 1 1743 . 5 1 1 A 167 167 ALA N N 167 123.800 125.154 -1.354 1 1 1744 . 5 1 1 A 168 168 THR H H 168 8.580 8.940 -0.360 1 1 1745 . 5 1 1 A 168 168 THR HA H 168 4.600 4.952 -0.352 1 1 1750 . 5 1 1 A 168 168 THR C C 168 173.300 173.555 -0.255 1 1 1751 . 5 1 1 A 168 168 THR CA C 168 61.900 61.788 0.112 1 1 1752 . 5 1 1 A 168 168 THR CB C 168 71.300 70.525 0.775 1 1 1754 . 5 1 1 A 168 168 THR N N 168 117.900 114.710 3.190 1 1 1755 . 5 1 1 A 169 169 THR H H 169 8.710 8.794 -0.084 1 1 1756 . 5 1 1 A 169 169 THR HA H 169 5.300 4.856 0.444 1 1 1761 . 5 1 1 A 169 169 THR C C 169 174.300 174.531 -0.231 1 1 1762 . 5 1 1 A 169 169 THR CA C 169 61.700 63.128 -1.428 1 1 1763 . 5 1 1 A 169 169 THR CB C 169 70.000 68.798 1.202 1 1 1765 . 5 1 1 A 169 169 THR N N 169 122.400 123.516 -1.116 1 1 1766 . 5 1 1 A 170 170 VAL H H 170 9.280 9.027 0.253 1 1 1767 . 5 1 1 A 170 170 VAL HA H 170 4.770 5.013 -0.243 1 1 1775 . 5 1 1 A 170 170 VAL C C 170 175.300 175.051 0.249 1 1 1776 . 5 1 1 A 170 170 VAL CA C 170 59.000 58.618 0.382 1 1 1777 . 5 1 1 A 170 170 VAL CB C 170 35.500 35.757 -0.257 1 1 1780 . 5 1 1 A 170 170 VAL N N 170 120.400 120.709 -0.309 1 1 1781 . 5 1 1 A 171 171 ASN H H 171 8.770 8.282 0.488 1 1 1782 . 5 1 1 A 171 171 ASN HA H 171 4.470 4.672 -0.202 1 1 1785 . 5 1 1 A 171 171 ASN C C 171 174.900 175.227 -0.327 1 1 1786 . 5 1 1 A 171 171 ASN CA C 171 54.700 53.292 1.408 1 1 1787 . 5 1 1 A 171 171 ASN CB C 171 38.200 39.648 -1.448 1 1 1788 . 5 1 1 A 171 171 ASN N N 171 121.100 120.250 0.850 1 1 1790 . 5 1 1 A 172 172 GLY H H 172 8.390 7.674 0.716 1 1 1791 . 5 1 1 A 172 172 GLY HA2 H 172 2.980 3.281 -0.301 1 1 1792 . 5 1 1 A 172 172 GLY HA3 H 172 3.970 3.876 0.094 1 1 1793 . 5 1 1 A 172 172 GLY C C 172 171.500 173.557 -2.057 1 1 1794 . 5 1 1 A 172 172 GLY CA C 172 46.000 45.291 0.709 1 1 1795 . 5 1 1 A 172 172 GLY N N 172 113.000 108.867 4.133 1 1 1796 . 5 1 1 A 173 173 GLY H H 173 5.960 5.989 -0.029 1 1 1797 . 5 1 1 A 173 173 GLY HA2 H 173 3.790 3.715 0.075 1 1 1798 . 5 1 1 A 173 173 GLY HA3 H 173 4.110 3.751 0.359 1 1 1799 . 5 1 1 A 173 173 GLY C C 173 172.000 171.112 0.888 1 1 1800 . 5 1 1 A 173 173 GLY CA C 173 46.400 45.256 1.144 1 1 1801 . 5 1 1 A 173 173 GLY N N 173 106.500 103.298 3.202 1 1 1802 . 5 1 1 A 174 174 THR H H 174 8.600 8.578 0.022 1 1 1803 . 5 1 1 A 174 174 THR HA H 174 4.890 4.823 0.067 1 1 1808 . 5 1 1 A 174 174 THR C C 174 172.300 173.444 -1.144 1 1 1809 . 5 1 1 A 174 174 THR CA C 174 62.000 61.603 0.397 1 1 1810 . 5 1 1 A 174 174 THR CB C 174 71.400 70.424 0.976 1 1 1812 . 5 1 1 A 174 174 THR N N 174 118.800 115.900 2.900 1 1 1813 . 5 1 1 A 175 175 VAL H H 175 9.140 9.374 -0.234 1 1 1814 . 5 1 1 A 175 175 VAL HA H 175 4.150 4.341 -0.191 1 1 1822 . 5 1 1 A 175 175 VAL C C 175 172.500 174.863 -2.363 1 1 1823 . 5 1 1 A 175 175 VAL CA C 175 60.400 61.123 -0.723 1 1 1824 . 5 1 1 A 175 175 VAL CB C 175 33.800 32.066 1.734 1 1 1827 . 5 1 1 A 175 175 VAL N N 175 124.600 126.786 -2.186 1 1 1828 . 5 1 1 A 176 176 HIS H H 176 8.470 8.349 0.121 1 1 1829 . 5 1 1 A 176 176 HIS HA H 176 5.170 4.669 0.501 1 1 1834 . 5 1 1 A 176 176 HIS C C 176 173.300 174.513 -1.213 1 1 1835 . 5 1 1 A 176 176 HIS CA C 176 53.000 55.036 -2.036 1 1 1836 . 5 1 1 A 176 176 HIS CB C 176 28.700 28.039 0.661 1 1 1839 . 5 1 1 A 176 176 HIS N N 176 123.100 126.640 -3.540 1 1 1840 . 5 1 1 A 177 177 PHE H H 177 9.650 8.676 0.974 1 1 1841 . 5 1 1 A 177 177 PHE HA H 177 5.160 4.539 0.621 1 1 1845 . 5 1 1 A 177 177 PHE C C 177 176.600 176.227 0.373 1 1 1846 . 5 1 1 A 177 177 PHE CA C 177 57.500 58.992 -1.492 1 1 1847 . 5 1 1 A 177 177 PHE CB C 177 39.600 39.654 -0.054 1 1 1851 . 5 1 1 A 177 177 PHE N N 177 123.700 124.467 -0.767 1 1 1852 . 5 1 1 A 178 178 LYS H H 178 8.860 8.741 0.119 1 1 1853 . 5 1 1 A 178 178 LYS HA H 178 5.600 5.151 0.449 1 1 1862 . 5 1 1 A 178 178 LYS C C 178 174.700 175.497 -0.797 1 1 1863 . 5 1 1 A 178 178 LYS CA C 178 54.200 54.921 -0.721 1 1 1864 . 5 1 1 A 178 178 LYS CB C 178 37.000 36.328 0.672 1 1 1868 . 5 1 1 A 178 178 LYS N N 178 124.000 122.359 1.641 1 1 1869 . 5 1 1 A 179 179 GLY H H 179 7.970 8.455 -0.485 1 1 1870 . 5 1 1 A 179 179 GLY HA2 H 179 4.010 4.256 -0.246 1 1 1871 . 5 1 1 A 179 179 GLY HA3 H 179 5.040 4.376 0.664 1 1 1872 . 5 1 1 A 179 179 GLY C C 179 172.900 171.268 1.632 1 1 1873 . 5 1 1 A 179 179 GLY CA C 179 46.600 44.482 2.118 1 1 1874 . 5 1 1 A 179 179 GLY N N 179 110.200 108.299 1.901 1 1 1875 . 5 1 1 A 180 180 GLU H H 180 8.470 8.564 -0.094 1 1 1876 . 5 1 1 A 180 180 GLU HA H 180 4.660 4.917 -0.257 1 1 1879 . 5 1 1 A 180 180 GLU C C 180 173.100 173.507 -0.407 1 1 1880 . 5 1 1 A 180 180 GLU CA C 180 55.600 55.553 0.047 1 1 1881 . 5 1 1 A 180 180 GLU CB C 180 34.200 33.369 0.831 1 1 1883 . 5 1 1 A 180 180 GLU N N 180 117.000 119.514 -2.514 1 1 1884 . 5 1 1 A 181 181 VAL H H 181 8.580 8.307 0.273 1 1 1885 . 5 1 1 A 181 181 VAL HA H 181 4.970 4.879 0.091 1 1 1893 . 5 1 1 A 181 181 VAL C C 181 177.100 175.220 1.880 1 1 1894 . 5 1 1 A 181 181 VAL CA C 181 60.200 60.941 -0.741 1 1 1895 . 5 1 1 A 181 181 VAL CB C 181 31.800 33.818 -2.018 1 1 1898 . 5 1 1 A 181 181 VAL N N 181 124.000 122.247 1.753 1 1 1899 . 5 1 1 A 182 182 VAL H H 182 9.100 9.134 -0.034 1 1 1900 . 5 1 1 A 182 182 VAL HA H 182 4.730 4.799 -0.069 1 1 1908 . 5 1 1 A 182 182 VAL C C 182 175.000 175.662 -0.662 1 1 1909 . 5 1 1 A 182 182 VAL CA C 182 59.100 59.481 -0.381 1 1 1910 . 5 1 1 A 182 182 VAL CB C 182 35.000 33.859 1.141 1 1 1913 . 5 1 1 A 182 182 VAL N N 182 122.200 122.729 -0.529 1 1 1914 . 5 1 1 A 183 183 ASN H H 183 8.960 8.830 0.130 1 1 1915 . 5 1 1 A 183 183 ASN HA H 183 4.870 4.717 0.153 1 1 1920 . 5 1 1 A 183 183 ASN C C 183 174.300 174.598 -0.298 1 1 1921 . 5 1 1 A 183 183 ASN CA C 183 53.400 52.546 0.854 1 1 1922 . 5 1 1 A 183 183 ASN CB C 183 38.800 38.427 0.373 1 1 1923 . 5 1 1 A 183 183 ASN N N 183 121.300 120.830 0.470 1 1 1 . 6 1 1 A 3 3 THR H H 3 8.300 8.702 -0.402 1 1 2 . 6 1 1 A 3 3 THR HA H 3 4.410 4.655 -0.245 1 1 7 . 6 1 1 A 3 3 THR C C 3 174.700 174.297 0.403 1 1 8 . 6 1 1 A 3 3 THR CA C 3 61.600 60.756 0.844 1 1 9 . 6 1 1 A 3 3 THR CB C 3 69.900 72.984 -3.084 1 1 11 . 6 1 1 A 3 3 THR N N 3 114.000 115.357 -1.357 1 1 12 . 6 1 1 A 4 4 THR H H 4 8.230 8.700 -0.470 1 1 13 . 6 1 1 A 4 4 THR HA H 4 4.420 4.047 0.373 1 1 18 . 6 1 1 A 4 4 THR C C 4 174.600 173.537 1.063 1 1 19 . 6 1 1 A 4 4 THR CA C 4 61.600 64.512 -2.912 1 1 20 . 6 1 1 A 4 4 THR CB C 4 70.000 67.499 2.501 1 1 22 . 6 1 1 A 4 4 THR N N 4 116.800 112.737 4.063 1 1 23 . 6 1 1 A 5 5 VAL H H 5 8.280 8.128 0.152 1 1 24 . 6 1 1 A 5 5 VAL HA H 5 4.130 4.572 -0.442 1 1 26 . 6 1 1 A 5 5 VAL C C 5 176.100 176.274 -0.174 1 1 27 . 6 1 1 A 5 5 VAL CA C 5 62.400 58.749 3.651 1 1 28 . 6 1 1 A 5 5 VAL CB C 5 32.800 35.115 -2.315 1 1 30 . 6 1 1 A 5 5 VAL N N 5 122.500 120.929 1.571 1 1 31 . 6 1 1 A 6 6 ASN H H 6 8.610 8.679 -0.069 1 1 32 . 6 1 1 A 6 6 ASN HA H 6 4.710 4.311 0.399 1 1 37 . 6 1 1 A 6 6 ASN C C 6 175.800 176.797 -0.997 1 1 38 . 6 1 1 A 6 6 ASN CA C 6 53.400 56.206 -2.806 1 1 39 . 6 1 1 A 6 6 ASN CB C 6 38.900 38.140 0.760 1 1 40 . 6 1 1 A 6 6 ASN N N 6 122.600 121.257 1.343 1 1 42 . 6 1 1 A 7 7 GLY H H 7 8.450 7.987 0.463 1 1 43 . 6 1 1 A 7 7 GLY C C 7 174.800 174.891 -0.091 1 1 44 . 6 1 1 A 7 7 GLY CA C 7 45.600 45.794 -0.194 1 1 45 . 6 1 1 A 7 7 GLY N N 7 109.700 106.647 3.053 1 1 46 . 6 1 1 A 8 8 GLY H H 8 8.280 8.112 0.168 1 1 47 . 6 1 1 A 8 8 GLY HA2 H 8 3.960 4.108 -0.148 1 1 48 . 6 1 1 A 8 8 GLY HA3 H 8 4.030 4.116 -0.086 1 1 49 . 6 1 1 A 8 8 GLY C C 8 174.200 173.583 0.617 1 1 50 . 6 1 1 A 8 8 GLY CA C 8 45.200 46.065 -0.865 1 1 51 . 6 1 1 A 8 8 GLY N N 8 108.500 107.197 1.303 1 1 52 . 6 1 1 A 9 9 THR H H 9 8.100 8.310 -0.210 1 1 53 . 6 1 1 A 9 9 THR HA H 9 4.320 4.654 -0.334 1 1 58 . 6 1 1 A 9 9 THR C C 9 174.500 173.927 0.573 1 1 59 . 6 1 1 A 9 9 THR CA C 9 62.000 60.449 1.551 1 1 60 . 6 1 1 A 9 9 THR CB C 9 69.900 69.905 -0.005 1 1 62 . 6 1 1 A 9 9 THR N N 9 114.300 120.389 -6.089 1 1 63 . 6 1 1 A 10 10 VAL H H 10 8.170 8.415 -0.245 1 1 64 . 6 1 1 A 10 10 VAL HA H 10 4.040 3.649 0.391 1 1 72 . 6 1 1 A 10 10 VAL C C 10 175.600 176.645 -1.045 1 1 73 . 6 1 1 A 10 10 VAL CA C 10 62.200 62.981 -0.781 1 1 74 . 6 1 1 A 10 10 VAL CB C 10 32.800 30.009 2.791 1 1 77 . 6 1 1 A 10 10 VAL N N 10 122.900 127.762 -4.862 1 1 78 . 6 1 1 A 11 11 HIS H H 11 8.420 7.777 0.643 1 1 79 . 6 1 1 A 11 11 HIS HA H 11 4.670 4.543 0.127 1 1 84 . 6 1 1 A 11 11 HIS CA C 11 55.700 56.539 -0.839 1 1 85 . 6 1 1 A 11 11 HIS CB C 11 30.500 29.719 0.781 1 1 88 . 6 1 1 A 11 11 HIS N N 11 123.300 123.276 0.024 1 1 89 . 6 1 1 A 12 12 PHE H H 12 8.310 8.173 0.137 1 1 90 . 6 1 1 A 12 12 PHE HA H 12 4.620 4.237 0.383 1 1 94 . 6 1 1 A 12 12 PHE C C 12 175.500 175.118 0.382 1 1 95 . 6 1 1 A 12 12 PHE CA C 12 57.700 60.389 -2.689 1 1 96 . 6 1 1 A 12 12 PHE CB C 12 39.900 39.537 0.363 1 1 100 . 6 1 1 A 12 12 PHE N N 12 122.300 119.213 3.087 1 1 101 . 6 1 1 A 13 13 LYS H H 13 8.450 7.928 0.522 1 1 102 . 6 1 1 A 13 13 LYS HA H 13 4.230 4.028 0.202 1 1 107 . 6 1 1 A 13 13 LYS C C 13 176.600 176.992 -0.392 1 1 108 . 6 1 1 A 13 13 LYS CA C 13 56.500 57.182 -0.682 1 1 109 . 6 1 1 A 13 13 LYS CB C 13 32.900 28.930 3.970 1 1 113 . 6 1 1 A 13 13 LYS N N 13 124.300 117.605 6.695 1 1 114 . 6 1 1 A 14 14 GLY H H 14 7.940 8.192 -0.252 1 1 115 . 6 1 1 A 14 14 GLY HA2 H 14 3.860 3.953 -0.093 1 1 116 . 6 1 1 A 14 14 GLY HA3 H 14 3.920 3.975 -0.055 1 1 117 . 6 1 1 A 14 14 GLY C C 14 173.800 174.172 -0.372 1 1 118 . 6 1 1 A 14 14 GLY CA C 14 45.200 45.839 -0.639 1 1 119 . 6 1 1 A 14 14 GLY N N 14 109.800 106.025 3.775 1 1 120 . 6 1 1 A 15 15 GLU H H 15 8.220 7.591 0.629 1 1 121 . 6 1 1 A 15 15 GLU HA H 15 4.290 4.721 -0.431 1 1 126 . 6 1 1 A 15 15 GLU C C 15 176.400 176.548 -0.148 1 1 127 . 6 1 1 A 15 15 GLU CA C 15 56.500 55.151 1.349 1 1 128 . 6 1 1 A 15 15 GLU CB C 15 30.500 30.680 -0.180 1 1 130 . 6 1 1 A 15 15 GLU N N 15 120.600 114.938 5.662 1 1 131 . 6 1 1 A 16 16 VAL H H 16 8.300 8.855 -0.555 1 1 132 . 6 1 1 A 16 16 VAL HA H 16 4.110 3.691 0.419 1 1 140 . 6 1 1 A 16 16 VAL C C 16 176.000 175.746 0.254 1 1 141 . 6 1 1 A 16 16 VAL CA C 16 62.300 65.972 -3.672 1 1 142 . 6 1 1 A 16 16 VAL CB C 16 32.900 31.502 1.398 1 1 145 . 6 1 1 A 16 16 VAL N N 16 122.100 119.178 2.922 1 1 146 . 6 1 1 A 17 17 VAL H H 17 8.290 7.894 0.396 1 1 147 . 6 1 1 A 17 17 VAL HA H 17 4.110 3.720 0.390 1 1 149 . 6 1 1 A 17 17 VAL C C 17 175.500 174.329 1.171 1 1 150 . 6 1 1 A 17 17 VAL CA C 17 62.000 62.857 -0.857 1 1 151 . 6 1 1 A 17 17 VAL CB C 17 32.800 29.785 3.015 1 1 153 . 6 1 1 A 17 17 VAL N N 17 124.800 118.459 6.341 1 1 154 . 6 1 1 A 18 18 ASN H H 18 8.470 7.774 0.696 1 1 155 . 6 1 1 A 18 18 ASN HA H 18 4.710 5.483 -0.773 1 1 160 . 6 1 1 A 18 18 ASN C C 18 174.100 173.373 0.727 1 1 161 . 6 1 1 A 18 18 ASN CA C 18 52.800 52.178 0.622 1 1 162 . 6 1 1 A 18 18 ASN CB C 18 39.000 40.322 -1.322 1 1 163 . 6 1 1 A 18 18 ASN N N 18 123.200 116.058 7.142 1 1 165 . 6 1 1 A 19 19 ALA H H 19 8.140 8.497 -0.357 1 1 166 . 6 1 1 A 19 19 ALA HA H 19 4.080 4.336 -0.256 1 1 170 . 6 1 1 A 19 19 ALA C C 19 178.000 176.957 1.043 1 1 171 . 6 1 1 A 19 19 ALA CA C 19 51.700 50.556 1.144 1 1 172 . 6 1 1 A 19 19 ALA CB C 19 20.300 20.729 -0.429 1 1 173 . 6 1 1 A 19 19 ALA N N 19 123.400 126.851 -3.451 1 1 174 . 6 1 1 A 20 20 ALA H H 20 6.480 7.317 -0.837 1 1 175 . 6 1 1 A 20 20 ALA HA H 20 3.710 3.840 -0.130 1 1 179 . 6 1 1 A 20 20 ALA C C 20 176.000 177.191 -1.191 1 1 180 . 6 1 1 A 20 20 ALA CA C 20 54.700 54.168 0.532 1 1 181 . 6 1 1 A 20 20 ALA CB C 20 21.000 18.168 2.832 1 1 182 . 6 1 1 A 20 20 ALA N N 20 120.900 123.833 -2.933 1 1 183 . 6 1 1 A 21 21 CYS H H 21 6.330 7.218 -0.888 1 1 184 . 6 1 1 A 21 21 CYS HA H 21 4.780 4.925 -0.145 1 1 187 . 6 1 1 A 21 21 CYS C C 21 172.500 173.250 -0.750 1 1 188 . 6 1 1 A 21 21 CYS CA C 21 53.100 55.142 -2.042 1 1 189 . 6 1 1 A 21 21 CYS CB C 21 50.500 46.711 3.789 1 1 190 . 6 1 1 A 21 21 CYS N N 21 107.800 114.364 -6.564 1 1 191 . 6 1 1 A 22 22 ALA H H 22 8.910 8.693 0.217 1 1 192 . 6 1 1 A 22 22 ALA HA H 22 4.770 4.468 0.302 1 1 196 . 6 1 1 A 22 22 ALA C C 22 176.800 176.804 -0.004 1 1 197 . 6 1 1 A 22 22 ALA CA C 22 50.600 51.741 -1.141 1 1 198 . 6 1 1 A 22 22 ALA CB C 22 21.600 20.169 1.431 1 1 199 . 6 1 1 A 22 22 ALA N N 22 123.900 125.908 -2.008 1 1 200 . 6 1 1 A 23 23 VAL H H 23 8.820 8.672 0.148 1 1 201 . 6 1 1 A 23 23 VAL HA H 23 4.100 4.674 -0.574 1 1 209 . 6 1 1 A 23 23 VAL C C 23 176.500 176.370 0.130 1 1 210 . 6 1 1 A 23 23 VAL CA C 23 63.700 60.681 3.019 1 1 211 . 6 1 1 A 23 23 VAL CB C 23 31.500 34.535 -3.035 1 1 214 . 6 1 1 A 23 23 VAL N N 23 123.600 119.648 3.952 1 1 215 . 6 1 1 A 24 24 ASP H H 24 8.660 8.388 0.272 1 1 216 . 6 1 1 A 24 24 ASP HA H 24 4.310 4.659 -0.349 1 1 219 . 6 1 1 A 24 24 ASP C C 24 177.600 175.716 1.884 1 1 220 . 6 1 1 A 24 24 ASP CA C 24 56.100 53.352 2.748 1 1 221 . 6 1 1 A 24 24 ASP CB C 24 44.700 40.789 3.911 1 1 222 . 6 1 1 A 24 24 ASP N N 24 128.000 126.185 1.815 1 1 223 . 6 1 1 A 25 25 ALA H H 25 8.870 8.104 0.766 1 1 224 . 6 1 1 A 25 25 ALA HA H 25 4.150 4.004 0.146 1 1 228 . 6 1 1 A 25 25 ALA C C 25 180.200 178.250 1.950 1 1 229 . 6 1 1 A 25 25 ALA CA C 25 55.800 54.666 1.134 1 1 230 . 6 1 1 A 25 25 ALA CB C 25 18.700 16.872 1.828 1 1 231 . 6 1 1 A 25 25 ALA N N 25 127.900 120.049 7.851 1 1 232 . 6 1 1 A 26 26 GLY H H 26 8.700 8.505 0.195 1 1 233 . 6 1 1 A 26 26 GLY HA2 H 26 4.170 3.966 0.204 1 1 234 . 6 1 1 A 26 26 GLY HA3 H 26 3.850 3.967 -0.117 1 1 235 . 6 1 1 A 26 26 GLY C C 26 175.100 174.770 0.330 1 1 236 . 6 1 1 A 26 26 GLY CA C 26 46.200 46.861 -0.661 1 1 237 . 6 1 1 A 26 26 GLY N N 26 105.300 106.514 -1.214 1 1 238 . 6 1 1 A 27 27 SER H H 27 8.300 8.120 0.180 1 1 239 . 6 1 1 A 27 27 SER HA H 27 4.910 4.676 0.234 1 1 242 . 6 1 1 A 27 27 SER C C 27 174.600 175.353 -0.753 1 1 243 . 6 1 1 A 27 27 SER CA C 27 59.300 58.801 0.499 1 1 244 . 6 1 1 A 27 27 SER CB C 27 65.700 64.294 1.406 1 1 245 . 6 1 1 A 27 27 SER N N 27 113.400 115.522 -2.122 1 1 246 . 6 1 1 A 28 28 VAL H H 28 7.290 7.884 -0.594 1 1 247 . 6 1 1 A 28 28 VAL HA H 28 4.070 4.150 -0.080 1 1 255 . 6 1 1 A 28 28 VAL C C 28 176.300 176.232 0.068 1 1 256 . 6 1 1 A 28 28 VAL CA C 28 64.700 65.599 -0.899 1 1 257 . 6 1 1 A 28 28 VAL CB C 28 32.700 32.627 0.073 1 1 260 . 6 1 1 A 28 28 VAL N N 28 119.000 119.674 -0.674 1 1 261 . 6 1 1 A 29 29 ASP H H 29 7.910 7.988 -0.078 1 1 262 . 6 1 1 A 29 29 ASP HA H 29 5.310 4.931 0.379 1 1 265 . 6 1 1 A 29 29 ASP C C 29 175.000 174.489 0.511 1 1 266 . 6 1 1 A 29 29 ASP CA C 29 54.500 53.419 1.081 1 1 267 . 6 1 1 A 29 29 ASP CB C 29 42.700 40.837 1.863 1 1 268 . 6 1 1 A 29 29 ASP N N 29 123.100 122.114 0.986 1 1 269 . 6 1 1 A 30 30 GLN H H 30 7.680 8.388 -0.708 1 1 270 . 6 1 1 A 30 30 GLN HA H 30 4.840 5.151 -0.311 1 1 275 . 6 1 1 A 30 30 GLN C C 30 173.900 174.632 -0.732 1 1 276 . 6 1 1 A 30 30 GLN CA C 30 55.000 54.684 0.316 1 1 277 . 6 1 1 A 30 30 GLN CB C 30 32.400 31.082 1.318 1 1 279 . 6 1 1 A 30 30 GLN N N 30 119.700 120.825 -1.125 1 1 281 . 6 1 1 A 31 31 THR H H 31 8.960 8.910 0.050 1 1 282 . 6 1 1 A 31 31 THR HA H 31 5.160 4.902 0.258 1 1 287 . 6 1 1 A 31 31 THR C C 31 173.600 173.716 -0.116 1 1 288 . 6 1 1 A 31 31 THR CA C 31 62.000 62.001 -0.001 1 1 289 . 6 1 1 A 31 31 THR CB C 31 70.300 69.092 1.208 1 1 291 . 6 1 1 A 31 31 THR N N 31 118.900 118.548 0.352 1 1 292 . 6 1 1 A 32 32 VAL H H 32 9.210 8.612 0.598 1 1 293 . 6 1 1 A 32 32 VAL HA H 32 4.070 4.216 -0.146 1 1 301 . 6 1 1 A 32 32 VAL C C 32 174.400 175.292 -0.892 1 1 302 . 6 1 1 A 32 32 VAL CA C 32 61.200 62.620 -1.420 1 1 303 . 6 1 1 A 32 32 VAL CB C 32 33.600 30.901 2.699 1 1 306 . 6 1 1 A 32 32 VAL N N 32 131.300 127.555 3.745 1 1 307 . 6 1 1 A 33 33 GLN H H 33 8.890 8.599 0.291 1 1 308 . 6 1 1 A 33 33 GLN HA H 33 4.760 4.687 0.073 1 1 315 . 6 1 1 A 33 33 GLN C C 33 175.900 175.889 0.011 1 1 316 . 6 1 1 A 33 33 GLN CA C 33 54.400 55.573 -1.173 1 1 317 . 6 1 1 A 33 33 GLN CB C 33 27.500 28.737 -1.237 1 1 319 . 6 1 1 A 33 33 GLN N N 33 127.200 128.515 -1.315 1 1 321 . 6 1 1 A 34 34 LEU H H 34 9.510 9.125 0.385 1 1 322 . 6 1 1 A 34 34 LEU HA H 34 4.290 4.179 0.111 1 1 332 . 6 1 1 A 34 34 LEU C C 34 177.900 177.166 0.734 1 1 333 . 6 1 1 A 34 34 LEU CA C 34 56.200 55.967 0.233 1 1 334 . 6 1 1 A 34 34 LEU CB C 34 41.300 42.450 -1.150 1 1 338 . 6 1 1 A 34 34 LEU N N 34 126.800 127.234 -0.434 1 1 339 . 6 1 1 A 35 35 GLY H H 35 8.310 7.692 0.618 1 1 340 . 6 1 1 A 35 35 GLY HA2 H 35 3.810 4.151 -0.341 1 1 341 . 6 1 1 A 35 35 GLY HA3 H 35 4.230 4.152 0.078 1 1 342 . 6 1 1 A 35 35 GLY C C 35 171.900 173.491 -1.591 1 1 343 . 6 1 1 A 35 35 GLY CA C 35 44.400 44.735 -0.335 1 1 344 . 6 1 1 A 35 35 GLY N N 35 106.500 106.232 0.268 1 1 345 . 6 1 1 A 36 36 GLN H H 36 7.990 8.389 -0.399 1 1 346 . 6 1 1 A 36 36 GLN HA H 36 5.310 4.660 0.650 1 1 353 . 6 1 1 A 36 36 GLN C C 36 176.700 175.023 1.677 1 1 354 . 6 1 1 A 36 36 GLN CA C 36 54.500 56.902 -2.402 1 1 355 . 6 1 1 A 36 36 GLN CB C 36 30.100 29.601 0.499 1 1 357 . 6 1 1 A 36 36 GLN N N 36 115.700 119.850 -4.150 1 1 359 . 6 1 1 A 37 37 VAL H H 37 8.910 8.204 0.706 1 1 360 . 6 1 1 A 37 37 VAL HA H 37 4.500 4.652 -0.152 1 1 368 . 6 1 1 A 37 37 VAL C C 37 174.700 174.620 0.080 1 1 369 . 6 1 1 A 37 37 VAL CA C 37 60.200 60.310 -0.110 1 1 370 . 6 1 1 A 37 37 VAL CB C 37 34.800 35.646 -0.846 1 1 373 . 6 1 1 A 37 37 VAL N N 37 124.300 120.938 3.362 1 1 374 . 6 1 1 A 38 38 ARG H H 38 8.750 8.715 0.035 1 1 375 . 6 1 1 A 38 38 ARG HA H 38 4.940 4.413 0.527 1 1 381 . 6 1 1 A 38 38 ARG C C 38 179.500 177.982 1.518 1 1 382 . 6 1 1 A 38 38 ARG CA C 38 55.700 56.623 -0.923 1 1 383 . 6 1 1 A 38 38 ARG CB C 38 30.700 30.317 0.383 1 1 386 . 6 1 1 A 38 38 ARG N N 38 125.400 125.231 0.169 1 1 388 . 6 1 1 A 39 39 THR H H 39 8.820 8.961 -0.141 1 1 389 . 6 1 1 A 39 39 THR HA H 39 3.320 3.915 -0.595 1 1 394 . 6 1 1 A 39 39 THR C C 39 178.500 176.073 2.427 1 1 395 . 6 1 1 A 39 39 THR CA C 39 65.700 65.149 0.551 1 1 396 . 6 1 1 A 39 39 THR CB C 39 67.300 68.229 -0.929 1 1 398 . 6 1 1 A 39 39 THR N N 39 116.200 118.371 -2.171 1 1 399 . 6 1 1 A 40 40 ALA H H 40 8.060 8.400 -0.340 1 1 400 . 6 1 1 A 40 40 ALA HA H 40 4.110 4.017 0.093 1 1 404 . 6 1 1 A 40 40 ALA C C 40 178.900 180.326 -1.426 1 1 405 . 6 1 1 A 40 40 ALA CA C 40 54.500 55.200 -0.700 1 1 406 . 6 1 1 A 40 40 ALA CB C 40 18.800 17.954 0.846 1 1 407 . 6 1 1 A 40 40 ALA N N 40 121.200 125.206 -4.006 1 1 408 . 6 1 1 A 41 41 SER H H 41 7.580 7.938 -0.358 1 1 409 . 6 1 1 A 41 41 SER HA H 41 4.460 4.266 0.194 1 1 412 . 6 1 1 A 41 41 SER C C 41 172.900 174.171 -1.271 1 1 413 . 6 1 1 A 41 41 SER CA C 41 59.400 60.647 -1.247 1 1 414 . 6 1 1 A 41 41 SER CB C 41 63.700 63.066 0.634 1 1 415 . 6 1 1 A 41 41 SER N N 41 112.300 112.700 -0.400 1 1 416 . 6 1 1 A 42 42 LEU H H 42 7.330 7.775 -0.445 1 1 417 . 6 1 1 A 42 42 LEU HA H 42 4.460 4.488 -0.028 1 1 427 . 6 1 1 A 42 42 LEU C C 42 174.400 175.777 -1.377 1 1 428 . 6 1 1 A 42 42 LEU CA C 42 52.100 54.367 -2.267 1 1 429 . 6 1 1 A 42 42 LEU CB C 42 43.800 42.764 1.036 1 1 433 . 6 1 1 A 42 42 LEU N N 42 124.500 121.319 3.181 1 1 434 . 6 1 1 A 43 43 ALA H H 43 7.520 8.545 -1.025 1 1 435 . 6 1 1 A 43 43 ALA HA H 43 4.550 4.571 -0.021 1 1 439 . 6 1 1 A 43 43 ALA C C 43 176.600 176.068 0.532 1 1 440 . 6 1 1 A 43 43 ALA CA C 43 53.300 51.551 1.749 1 1 441 . 6 1 1 A 43 43 ALA CB C 43 20.000 20.756 -0.756 1 1 442 . 6 1 1 A 43 43 ALA N N 43 118.200 124.941 -6.741 1 1 443 . 6 1 1 A 44 44 GLN H H 44 7.040 7.589 -0.549 1 1 444 . 6 1 1 A 44 44 GLN HA H 44 4.150 4.714 -0.564 1 1 449 . 6 1 1 A 44 44 GLN C C 44 172.800 173.521 -0.721 1 1 450 . 6 1 1 A 44 44 GLN CA C 44 53.400 54.176 -0.776 1 1 451 . 6 1 1 A 44 44 GLN CB C 44 31.600 31.991 -0.391 1 1 453 . 6 1 1 A 44 44 GLN N N 44 111.900 115.451 -3.551 1 1 455 . 6 1 1 A 45 45 GLU H H 45 8.490 8.637 -0.147 1 1 456 . 6 1 1 A 45 45 GLU HA H 45 3.680 3.736 -0.056 1 1 461 . 6 1 1 A 45 45 GLU C C 45 177.500 177.236 0.264 1 1 462 . 6 1 1 A 45 45 GLU CA C 45 57.100 58.105 -1.005 1 1 463 . 6 1 1 A 45 45 GLU CB C 45 28.500 29.291 -0.791 1 1 465 . 6 1 1 A 45 45 GLU N N 45 120.300 123.284 -2.984 1 1 466 . 6 1 1 A 46 46 GLY H H 46 8.520 8.815 -0.295 1 1 467 . 6 1 1 A 46 46 GLY HA2 H 46 4.140 3.326 0.814 1 1 468 . 6 1 1 A 46 46 GLY HA3 H 46 3.050 3.861 -0.811 1 1 469 . 6 1 1 A 46 46 GLY C C 46 173.900 174.048 -0.148 1 1 470 . 6 1 1 A 46 46 GLY CA C 46 44.400 44.665 -0.265 1 1 471 . 6 1 1 A 46 46 GLY N N 46 115.100 114.682 0.418 1 1 472 . 6 1 1 A 47 47 ALA H H 47 7.690 7.765 -0.075 1 1 473 . 6 1 1 A 47 47 ALA HA H 47 4.320 4.205 0.115 1 1 477 . 6 1 1 A 47 47 ALA C C 47 176.000 176.527 -0.527 1 1 478 . 6 1 1 A 47 47 ALA CA C 47 52.800 52.306 0.494 1 1 479 . 6 1 1 A 47 47 ALA CB C 47 19.900 20.059 -0.159 1 1 480 . 6 1 1 A 47 47 ALA N N 47 123.600 123.524 0.076 1 1 481 . 6 1 1 A 48 48 THR H H 48 7.960 8.604 -0.644 1 1 482 . 6 1 1 A 48 48 THR HA H 48 5.440 5.175 0.265 1 1 487 . 6 1 1 A 48 48 THR C C 48 175.700 174.122 1.578 1 1 488 . 6 1 1 A 48 48 THR CA C 48 58.500 59.432 -0.932 1 1 489 . 6 1 1 A 48 48 THR CB C 48 73.500 72.049 1.451 1 1 491 . 6 1 1 A 48 48 THR N N 48 107.700 111.264 -3.564 1 1 492 . 6 1 1 A 49 49 SER H H 49 8.240 8.637 -0.397 1 1 493 . 6 1 1 A 49 49 SER HA H 49 4.810 4.687 0.123 1 1 494 . 6 1 1 A 49 49 SER C C 49 174.000 175.890 -1.890 1 1 495 . 6 1 1 A 49 49 SER CA C 49 57.100 57.684 -0.584 1 1 496 . 6 1 1 A 49 49 SER CB C 49 65.800 64.664 1.136 1 1 497 . 6 1 1 A 49 49 SER N N 49 115.400 116.907 -1.507 1 1 498 . 6 1 1 A 50 50 SER H H 50 8.640 8.771 -0.131 1 1 499 . 6 1 1 A 50 50 SER HA H 50 4.340 4.132 0.208 1 1 502 . 6 1 1 A 50 50 SER C C 50 174.200 174.944 -0.744 1 1 503 . 6 1 1 A 50 50 SER CA C 50 59.600 62.138 -2.538 1 1 504 . 6 1 1 A 50 50 SER CB C 50 63.200 63.227 -0.027 1 1 505 . 6 1 1 A 50 50 SER N N 50 114.800 114.927 -0.127 1 1 506 . 6 1 1 A 51 51 ALA H H 51 8.520 7.516 1.004 1 1 507 . 6 1 1 A 51 51 ALA HA H 51 4.640 4.374 0.266 1 1 511 . 6 1 1 A 51 51 ALA C C 51 177.800 175.611 2.189 1 1 512 . 6 1 1 A 51 51 ALA CA C 51 52.000 54.186 -2.186 1 1 513 . 6 1 1 A 51 51 ALA CB C 51 20.100 18.285 1.815 1 1 514 . 6 1 1 A 51 51 ALA N N 51 127.800 123.100 4.700 1 1 515 . 6 1 1 A 52 52 VAL H H 52 9.250 8.306 0.944 1 1 516 . 6 1 1 A 52 52 VAL HA H 52 4.380 4.661 -0.281 1 1 524 . 6 1 1 A 52 52 VAL C C 52 176.100 173.766 2.334 1 1 525 . 6 1 1 A 52 52 VAL CA C 52 61.200 60.272 0.928 1 1 526 . 6 1 1 A 52 52 VAL CB C 52 34.800 34.976 -0.176 1 1 529 . 6 1 1 A 52 52 VAL N N 52 122.200 120.499 1.701 1 1 530 . 6 1 1 A 53 53 GLY H H 53 8.730 8.908 -0.178 1 1 531 . 6 1 1 A 53 53 GLY HA2 H 53 4.890 4.241 0.649 1 1 532 . 6 1 1 A 53 53 GLY HA3 H 53 3.760 4.300 -0.540 1 1 533 . 6 1 1 A 53 53 GLY C C 53 173.700 172.755 0.945 1 1 534 . 6 1 1 A 53 53 GLY CA C 53 45.400 44.552 0.848 1 1 535 . 6 1 1 A 53 53 GLY N N 53 112.400 114.409 -2.009 1 1 536 . 6 1 1 A 54 54 PHE H H 54 8.500 8.838 -0.338 1 1 537 . 6 1 1 A 54 54 PHE HA H 54 4.830 5.821 -0.991 1 1 539 . 6 1 1 A 54 54 PHE C C 54 171.300 174.011 -2.711 1 1 540 . 6 1 1 A 54 54 PHE CA C 54 56.900 55.283 1.617 1 1 541 . 6 1 1 A 54 54 PHE CB C 54 41.600 42.644 -1.044 1 1 545 . 6 1 1 A 54 54 PHE N N 54 118.300 120.157 -1.857 1 1 546 . 6 1 1 A 55 55 ASN H H 55 9.240 8.836 0.404 1 1 547 . 6 1 1 A 55 55 ASN HA H 55 5.640 5.536 0.104 1 1 552 . 6 1 1 A 55 55 ASN C C 55 175.200 174.521 0.679 1 1 553 . 6 1 1 A 55 55 ASN CA C 55 51.800 52.053 -0.253 1 1 554 . 6 1 1 A 55 55 ASN CB C 55 43.000 41.947 1.053 1 1 555 . 6 1 1 A 55 55 ASN N N 55 117.100 119.598 -2.498 1 1 557 . 6 1 1 A 56 56 ILE H H 56 8.780 8.783 -0.003 1 1 558 . 6 1 1 A 56 56 ILE HA H 56 4.150 4.472 -0.322 1 1 568 . 6 1 1 A 56 56 ILE C C 56 173.700 174.917 -1.217 1 1 569 . 6 1 1 A 56 56 ILE CA C 56 60.800 60.613 0.187 1 1 570 . 6 1 1 A 56 56 ILE CB C 56 40.000 38.271 1.729 1 1 574 . 6 1 1 A 56 56 ILE N N 56 119.900 124.783 -4.883 1 1 575 . 6 1 1 A 57 57 GLN H H 57 8.840 8.881 -0.041 1 1 576 . 6 1 1 A 57 57 GLN HA H 57 4.970 4.706 0.264 1 1 581 . 6 1 1 A 57 57 GLN C C 57 173.100 174.559 -1.459 1 1 582 . 6 1 1 A 57 57 GLN CA C 57 54.900 55.715 -0.815 1 1 583 . 6 1 1 A 57 57 GLN CB C 57 31.300 29.340 1.960 1 1 585 . 6 1 1 A 57 57 GLN N N 57 128.700 128.063 0.637 1 1 587 . 6 1 1 A 58 58 LEU H H 58 9.090 8.893 0.197 1 1 588 . 6 1 1 A 58 58 LEU HA H 58 5.010 5.174 -0.164 1 1 598 . 6 1 1 A 58 58 LEU C C 58 174.700 175.899 -1.199 1 1 599 . 6 1 1 A 58 58 LEU CA C 58 52.600 53.528 -0.928 1 1 600 . 6 1 1 A 58 58 LEU CB C 58 43.800 44.178 -0.378 1 1 604 . 6 1 1 A 58 58 LEU N N 58 126.800 129.157 -2.357 1 1 605 . 6 1 1 A 59 59 ASN H H 59 9.670 8.963 0.707 1 1 606 . 6 1 1 A 59 59 ASN HA H 59 5.130 4.920 0.210 1 1 611 . 6 1 1 A 59 59 ASN C C 59 175.700 175.480 0.220 1 1 612 . 6 1 1 A 59 59 ASN CA C 59 51.200 52.629 -1.429 1 1 613 . 6 1 1 A 59 59 ASN CB C 59 41.500 40.102 1.398 1 1 614 . 6 1 1 A 59 59 ASN N N 59 119.300 123.025 -3.725 1 1 616 . 6 1 1 A 60 60 ASP H H 60 9.440 9.082 0.358 1 1 617 . 6 1 1 A 60 60 ASP HA H 60 4.240 4.169 0.071 1 1 620 . 6 1 1 A 60 60 ASP C C 60 176.000 175.141 0.859 1 1 621 . 6 1 1 A 60 60 ASP CA C 60 55.200 54.813 0.387 1 1 622 . 6 1 1 A 60 60 ASP CB C 60 39.100 39.068 0.032 1 1 623 . 6 1 1 A 60 60 ASP N N 60 115.200 121.158 -5.958 1 1 624 . 6 1 1 A 61 61 CYS H H 61 8.690 7.788 0.902 1 1 625 . 6 1 1 A 61 61 CYS HA H 61 5.240 4.816 0.424 1 1 628 . 6 1 1 A 61 61 CYS CA C 61 56.800 56.660 0.140 1 1 629 . 6 1 1 A 61 61 CYS CB C 61 41.800 42.843 -1.043 1 1 630 . 6 1 1 A 61 61 CYS N N 61 114.600 117.736 -3.136 1 1 631 . 6 1 1 A 62 62 ASP H H 62 8.280 8.690 -0.410 1 1 632 . 6 1 1 A 62 62 ASP HA H 62 5.040 4.968 0.072 1 1 635 . 6 1 1 A 62 62 ASP C C 62 178.200 176.164 2.036 1 1 636 . 6 1 1 A 62 62 ASP CA C 62 52.300 52.465 -0.165 1 1 637 . 6 1 1 A 62 62 ASP CB C 62 42.000 42.102 -0.102 1 1 638 . 6 1 1 A 62 62 ASP N N 62 122.300 125.275 -2.975 1 1 639 . 6 1 1 A 63 63 THR H H 63 8.620 8.697 -0.077 1 1 640 . 6 1 1 A 63 63 THR HA H 63 4.870 4.088 0.782 1 1 645 . 6 1 1 A 63 63 THR C C 63 176.500 176.046 0.454 1 1 646 . 6 1 1 A 63 63 THR CA C 63 63.100 64.741 -1.641 1 1 647 . 6 1 1 A 63 63 THR CB C 63 68.500 68.338 0.162 1 1 649 . 6 1 1 A 63 63 THR N N 63 115.500 118.686 -3.186 1 1 650 . 6 1 1 A 64 64 ASN H H 64 8.800 7.846 0.954 1 1 651 . 6 1 1 A 64 64 ASN HA H 64 4.580 4.451 0.129 1 1 656 . 6 1 1 A 64 64 ASN C C 64 176.800 177.992 -1.192 1 1 657 . 6 1 1 A 64 64 ASN CA C 64 55.100 56.427 -1.327 1 1 658 . 6 1 1 A 64 64 ASN CB C 64 38.300 38.192 0.108 1 1 659 . 6 1 1 A 64 64 ASN N N 64 119.100 121.007 -1.907 1 1 661 . 6 1 1 A 65 65 VAL H H 65 7.780 7.319 0.461 1 1 662 . 6 1 1 A 65 65 VAL HA H 65 3.800 3.915 -0.115 1 1 670 . 6 1 1 A 65 65 VAL C C 65 175.900 176.508 -0.608 1 1 671 . 6 1 1 A 65 65 VAL CA C 65 64.400 64.502 -0.102 1 1 672 . 6 1 1 A 65 65 VAL CB C 65 32.500 32.333 0.167 1 1 675 . 6 1 1 A 65 65 VAL N N 65 120.800 116.583 4.217 1 1 676 . 6 1 1 A 66 66 ALA H H 66 7.400 7.666 -0.266 1 1 677 . 6 1 1 A 66 66 ALA HA H 66 4.270 4.591 -0.321 1 1 681 . 6 1 1 A 66 66 ALA C C 66 173.800 177.197 -3.397 1 1 682 . 6 1 1 A 66 66 ALA CA C 66 52.400 51.711 0.689 1 1 683 . 6 1 1 A 66 66 ALA CB C 66 23.400 22.021 1.379 1 1 684 . 6 1 1 A 66 66 ALA N N 66 118.100 119.627 -1.527 1 1 685 . 6 1 1 A 67 67 SER H H 67 8.070 8.613 -0.543 1 1 686 . 6 1 1 A 67 67 SER HA H 67 4.720 4.576 0.144 1 1 689 . 6 1 1 A 67 67 SER C C 67 175.100 174.156 0.944 1 1 690 . 6 1 1 A 67 67 SER CA C 67 57.800 59.905 -2.105 1 1 691 . 6 1 1 A 67 67 SER CB C 67 65.200 64.093 1.107 1 1 692 . 6 1 1 A 67 67 SER N N 67 109.700 116.599 -6.899 1 1 693 . 6 1 1 A 68 68 LYS H H 68 8.140 7.929 0.211 1 1 694 . 6 1 1 A 68 68 LYS HA H 68 5.450 5.115 0.335 1 1 699 . 6 1 1 A 68 68 LYS C C 68 174.600 175.031 -0.431 1 1 700 . 6 1 1 A 68 68 LYS CA C 68 54.900 54.670 0.230 1 1 701 . 6 1 1 A 68 68 LYS CB C 68 38.000 37.521 0.479 1 1 705 . 6 1 1 A 68 68 LYS N N 68 121.300 119.038 2.262 1 1 706 . 6 1 1 A 69 69 ALA H H 69 8.560 8.616 -0.056 1 1 707 . 6 1 1 A 69 69 ALA HA H 69 5.630 5.402 0.228 1 1 711 . 6 1 1 A 69 69 ALA C C 69 175.300 175.797 -0.497 1 1 712 . 6 1 1 A 69 69 ALA CA C 69 50.000 50.298 -0.298 1 1 713 . 6 1 1 A 69 69 ALA CB C 69 24.500 22.610 1.890 1 1 714 . 6 1 1 A 69 69 ALA N N 69 120.400 122.047 -1.647 1 1 715 . 6 1 1 A 70 70 ALA H H 70 8.660 8.837 -0.177 1 1 716 . 6 1 1 A 70 70 ALA HA H 70 4.660 4.813 -0.153 1 1 720 . 6 1 1 A 70 70 ALA C C 70 175.000 176.916 -1.916 1 1 721 . 6 1 1 A 70 70 ALA CA C 70 51.400 51.716 -0.316 1 1 722 . 6 1 1 A 70 70 ALA CB C 70 23.800 20.597 3.203 1 1 723 . 6 1 1 A 70 70 ALA N N 70 121.800 124.458 -2.658 1 1 724 . 6 1 1 A 71 71 VAL H H 71 8.730 8.481 0.249 1 1 725 . 6 1 1 A 71 71 VAL HA H 71 5.230 5.252 -0.022 1 1 733 . 6 1 1 A 71 71 VAL C C 71 174.200 174.940 -0.740 1 1 734 . 6 1 1 A 71 71 VAL CA C 71 61.200 59.994 1.206 1 1 735 . 6 1 1 A 71 71 VAL CB C 71 36.100 35.238 0.862 1 1 738 . 6 1 1 A 71 71 VAL N N 71 119.200 119.457 -0.257 1 1 739 . 6 1 1 A 72 72 ALA H H 72 8.200 8.799 -0.599 1 1 740 . 6 1 1 A 72 72 ALA HA H 72 4.680 5.378 -0.698 1 1 744 . 6 1 1 A 72 72 ALA C C 72 176.500 175.536 0.964 1 1 745 . 6 1 1 A 72 72 ALA CA C 72 50.200 50.681 -0.481 1 1 746 . 6 1 1 A 72 72 ALA CB C 72 21.000 24.081 -3.081 1 1 747 . 6 1 1 A 72 72 ALA N N 72 127.900 124.374 3.526 1 1 748 . 6 1 1 A 73 73 PHE H H 73 9.700 8.714 0.986 1 1 749 . 6 1 1 A 73 73 PHE HA H 73 5.270 5.453 -0.183 1 1 753 . 6 1 1 A 73 73 PHE C C 73 174.500 174.632 -0.132 1 1 754 . 6 1 1 A 73 73 PHE CA C 73 57.400 55.960 1.440 1 1 755 . 6 1 1 A 73 73 PHE CB C 73 42.800 43.594 -0.794 1 1 759 . 6 1 1 A 73 73 PHE N N 73 121.600 116.317 5.283 1 1 760 . 6 1 1 A 74 74 LEU H H 74 9.180 8.740 0.440 1 1 761 . 6 1 1 A 74 74 LEU HA H 74 4.670 4.959 -0.289 1 1 771 . 6 1 1 A 74 74 LEU C C 74 175.800 175.527 0.273 1 1 772 . 6 1 1 A 74 74 LEU CA C 74 53.600 54.362 -0.762 1 1 773 . 6 1 1 A 74 74 LEU CB C 74 45.400 46.483 -1.083 1 1 777 . 6 1 1 A 74 74 LEU N N 74 122.100 122.533 -0.433 1 1 778 . 6 1 1 A 75 75 GLY H H 75 8.460 8.388 0.072 1 1 779 . 6 1 1 A 75 75 GLY HA2 H 75 3.960 4.269 -0.309 1 1 780 . 6 1 1 A 75 75 GLY HA3 H 75 4.380 4.296 0.084 1 1 781 . 6 1 1 A 75 75 GLY C C 75 171.100 172.082 -0.982 1 1 782 . 6 1 1 A 75 75 GLY CA C 75 44.900 45.906 -1.006 1 1 783 . 6 1 1 A 75 75 GLY N N 75 111.400 111.516 -0.116 1 1 784 . 6 1 1 A 76 76 THR H H 76 8.450 8.745 -0.295 1 1 785 . 6 1 1 A 76 76 THR HA H 76 4.230 4.441 -0.211 1 1 790 . 6 1 1 A 76 76 THR C C 76 173.500 174.041 -0.541 1 1 791 . 6 1 1 A 76 76 THR CA C 76 62.600 62.847 -0.247 1 1 792 . 6 1 1 A 76 76 THR CB C 76 69.800 69.841 -0.041 1 1 794 . 6 1 1 A 76 76 THR N N 76 118.300 115.497 2.803 1 1 795 . 6 1 1 A 77 77 ALA H H 77 8.740 8.317 0.423 1 1 796 . 6 1 1 A 77 77 ALA HA H 77 4.860 5.163 -0.303 1 1 800 . 6 1 1 A 77 77 ALA C C 77 179.700 177.982 1.718 1 1 801 . 6 1 1 A 77 77 ALA CA C 77 51.700 50.510 1.190 1 1 802 . 6 1 1 A 77 77 ALA CB C 77 19.600 21.613 -2.013 1 1 803 . 6 1 1 A 77 77 ALA N N 77 130.800 125.278 5.522 1 1 804 . 6 1 1 A 78 78 ILE H H 78 9.000 8.795 0.205 1 1 805 . 6 1 1 A 78 78 ILE HA H 78 3.820 3.956 -0.136 1 1 815 . 6 1 1 A 78 78 ILE C C 78 173.900 174.852 -0.952 1 1 816 . 6 1 1 A 78 78 ILE CA C 78 65.500 63.979 1.521 1 1 817 . 6 1 1 A 78 78 ILE CB C 78 39.200 38.530 0.670 1 1 821 . 6 1 1 A 78 78 ILE N N 78 122.600 124.099 -1.499 1 1 822 . 6 1 1 A 79 79 ASP H H 79 7.360 7.959 -0.599 1 1 823 . 6 1 1 A 79 79 ASP HA H 79 4.450 5.073 -0.623 1 1 826 . 6 1 1 A 79 79 ASP C C 79 175.700 176.083 -0.383 1 1 827 . 6 1 1 A 79 79 ASP CA C 79 53.900 52.660 1.240 1 1 828 . 6 1 1 A 79 79 ASP CB C 79 41.800 45.040 -3.240 1 1 829 . 6 1 1 A 79 79 ASP N N 79 113.600 118.272 -4.672 1 1 830 . 6 1 1 A 80 80 ALA H H 80 8.510 8.876 -0.366 1 1 831 . 6 1 1 A 80 80 ALA HA H 80 4.100 4.074 0.026 1 1 835 . 6 1 1 A 80 80 ALA C C 80 178.600 177.996 0.604 1 1 836 . 6 1 1 A 80 80 ALA CA C 80 54.200 54.803 -0.603 1 1 837 . 6 1 1 A 80 80 ALA CB C 80 18.600 18.505 0.095 1 1 838 . 6 1 1 A 80 80 ALA N N 80 118.700 123.878 -5.178 1 1 839 . 6 1 1 A 81 81 GLY H H 81 8.440 8.290 0.150 1 1 840 . 6 1 1 A 81 81 GLY HA2 H 81 3.490 3.793 -0.303 1 1 841 . 6 1 1 A 81 81 GLY HA3 H 81 4.120 3.858 0.262 1 1 842 . 6 1 1 A 81 81 GLY C C 81 174.100 174.243 -0.143 1 1 843 . 6 1 1 A 81 81 GLY CA C 81 44.800 45.351 -0.551 1 1 844 . 6 1 1 A 81 81 GLY N N 81 104.400 106.138 -1.738 1 1 845 . 6 1 1 A 82 82 HIS H H 82 7.830 7.896 -0.066 1 1 846 . 6 1 1 A 82 82 HIS HA H 82 4.920 4.909 0.011 1 1 851 . 6 1 1 A 82 82 HIS C C 82 174.600 175.295 -0.695 1 1 852 . 6 1 1 A 82 82 HIS CA C 82 54.700 55.242 -0.542 1 1 853 . 6 1 1 A 82 82 HIS CB C 82 28.100 29.547 -1.447 1 1 856 . 6 1 1 A 82 82 HIS N N 82 120.400 116.987 3.413 1 1 857 . 6 1 1 A 83 83 THR H H 83 8.220 8.089 0.131 1 1 858 . 6 1 1 A 83 83 THR HA H 83 4.090 4.005 0.085 1 1 863 . 6 1 1 A 83 83 THR C C 83 174.300 176.424 -2.124 1 1 864 . 6 1 1 A 83 83 THR CA C 83 63.600 64.728 -1.128 1 1 865 . 6 1 1 A 83 83 THR CB C 83 68.500 68.688 -0.188 1 1 867 . 6 1 1 A 83 83 THR N N 83 109.800 113.010 -3.210 1 1 868 . 6 1 1 A 84 84 ASN H H 84 7.490 7.926 -0.436 1 1 869 . 6 1 1 A 84 84 ASN HA H 84 4.810 4.711 0.099 1 1 874 . 6 1 1 A 84 84 ASN C C 84 174.100 174.175 -0.075 1 1 875 . 6 1 1 A 84 84 ASN CA C 84 51.100 54.598 -3.498 1 1 876 . 6 1 1 A 84 84 ASN CB C 84 38.100 38.530 -0.430 1 1 877 . 6 1 1 A 84 84 ASN N N 84 115.800 118.705 -2.905 1 1 879 . 6 1 1 A 85 85 VAL H H 85 7.300 7.936 -0.636 1 1 880 . 6 1 1 A 85 85 VAL HA H 85 4.090 4.437 -0.347 1 1 888 . 6 1 1 A 85 85 VAL C C 85 173.700 175.566 -1.866 1 1 889 . 6 1 1 A 85 85 VAL CA C 85 61.600 60.639 0.961 1 1 890 . 6 1 1 A 85 85 VAL CB C 85 33.600 34.573 -0.973 1 1 893 . 6 1 1 A 85 85 VAL N N 85 120.200 118.841 1.359 1 1 894 . 6 1 1 A 86 86 LEU H H 86 9.850 8.851 0.999 1 1 895 . 6 1 1 A 86 86 LEU HA H 86 4.220 4.596 -0.376 1 1 905 . 6 1 1 A 86 86 LEU C C 86 176.800 178.420 -1.620 1 1 906 . 6 1 1 A 86 86 LEU CA C 86 55.000 54.589 0.411 1 1 907 . 6 1 1 A 86 86 LEU CB C 86 44.200 42.307 1.893 1 1 911 . 6 1 1 A 86 86 LEU N N 86 130.700 128.326 2.374 1 1 912 . 6 1 1 A 87 87 ALA H H 87 8.670 8.296 0.374 1 1 913 . 6 1 1 A 87 87 ALA HA H 87 4.110 4.632 -0.522 1 1 917 . 6 1 1 A 87 87 ALA C C 87 177.000 177.597 -0.597 1 1 918 . 6 1 1 A 87 87 ALA CA C 87 51.500 51.495 0.005 1 1 919 . 6 1 1 A 87 87 ALA CB C 87 20.000 18.747 1.253 1 1 920 . 6 1 1 A 87 87 ALA N N 87 123.600 125.558 -1.958 1 1 921 . 6 1 1 A 88 88 LEU H H 88 8.590 8.002 0.588 1 1 922 . 6 1 1 A 88 88 LEU HA H 88 4.780 4.377 0.403 1 1 932 . 6 1 1 A 88 88 LEU C C 88 179.400 175.874 3.526 1 1 933 . 6 1 1 A 88 88 LEU CA C 88 53.500 57.059 -3.559 1 1 934 . 6 1 1 A 88 88 LEU CB C 88 41.600 40.790 0.810 1 1 938 . 6 1 1 A 88 88 LEU N N 88 116.800 116.009 0.791 1 1 939 . 6 1 1 A 89 89 GLN H H 89 9.050 8.066 0.984 1 1 940 . 6 1 1 A 89 89 GLN HA H 89 4.340 4.940 -0.600 1 1 945 . 6 1 1 A 89 89 GLN C C 89 177.200 175.541 1.659 1 1 946 . 6 1 1 A 89 89 GLN CA C 89 55.800 54.123 1.677 1 1 947 . 6 1 1 A 89 89 GLN CB C 89 29.900 31.966 -2.066 1 1 949 . 6 1 1 A 89 89 GLN N N 89 120.900 117.182 3.718 1 1 951 . 6 1 1 A 90 90 SER H H 90 8.660 9.116 -0.456 1 1 952 . 6 1 1 A 90 90 SER HA H 90 4.520 4.280 0.240 1 1 955 . 6 1 1 A 90 90 SER C C 90 174.100 174.243 -0.143 1 1 956 . 6 1 1 A 90 90 SER CA C 90 58.400 60.648 -2.248 1 1 957 . 6 1 1 A 90 90 SER CB C 90 63.800 61.956 1.844 1 1 958 . 6 1 1 A 90 90 SER N N 90 118.600 115.992 2.608 1 1 959 . 6 1 1 A 91 91 SER H H 91 8.360 8.941 -0.581 1 1 960 . 6 1 1 A 91 91 SER HA H 91 4.640 4.004 0.636 1 1 963 . 6 1 1 A 91 91 SER C C 91 175.100 175.196 -0.096 1 1 964 . 6 1 1 A 91 91 SER CA C 91 57.700 59.011 -1.311 1 1 965 . 6 1 1 A 91 91 SER CB C 91 64.900 61.944 2.956 1 1 966 . 6 1 1 A 91 91 SER N N 91 117.100 114.454 2.646 1 1 967 . 6 1 1 A 92 92 ALA H H 92 8.720 7.801 0.919 1 1 968 . 6 1 1 A 92 92 ALA HA H 92 4.230 3.973 0.257 1 1 972 . 6 1 1 A 92 92 ALA C C 92 178.400 177.910 0.490 1 1 973 . 6 1 1 A 92 92 ALA CA C 92 54.000 55.360 -1.360 1 1 974 . 6 1 1 A 92 92 ALA CB C 92 18.700 18.909 -0.209 1 1 975 . 6 1 1 A 92 92 ALA N N 92 127.600 124.252 3.348 1 1 976 . 6 1 1 A 93 93 ALA H H 93 8.180 7.668 0.512 1 1 977 . 6 1 1 A 93 93 ALA HA H 93 4.340 4.633 -0.293 1 1 981 . 6 1 1 A 93 93 ALA C C 93 178.000 178.105 -0.105 1 1 982 . 6 1 1 A 93 93 ALA CA C 93 52.700 51.221 1.479 1 1 983 . 6 1 1 A 93 93 ALA CB C 93 19.100 20.160 -1.060 1 1 984 . 6 1 1 A 93 93 ALA N N 93 119.800 117.842 1.958 1 1 985 . 6 1 1 A 94 94 GLY H H 94 7.880 8.282 -0.402 1 1 986 . 6 1 1 A 94 94 GLY HA2 H 94 4.370 3.984 0.386 1 1 987 . 6 1 1 A 94 94 GLY HA3 H 94 3.780 3.987 -0.207 1 1 988 . 6 1 1 A 94 94 GLY C C 94 174.400 174.058 0.342 1 1 989 . 6 1 1 A 94 94 GLY CA C 94 45.200 45.442 -0.242 1 1 990 . 6 1 1 A 94 94 GLY N N 94 107.900 107.649 0.251 1 1 991 . 6 1 1 A 95 95 SER H H 95 8.510 7.781 0.729 1 1 992 . 6 1 1 A 95 95 SER HA H 95 5.060 4.711 0.349 1 1 995 . 6 1 1 A 95 95 SER C C 95 174.400 174.209 0.191 1 1 996 . 6 1 1 A 95 95 SER CA C 95 58.000 58.523 -0.523 1 1 997 . 6 1 1 A 95 95 SER CB C 95 65.100 64.132 0.968 1 1 998 . 6 1 1 A 95 95 SER N N 95 119.300 116.617 2.683 1 1 999 . 6 1 1 A 96 96 ALA H H 96 8.340 8.561 -0.221 1 1 1000 . 6 1 1 A 96 96 ALA HA H 96 3.830 4.254 -0.424 1 1 1004 . 6 1 1 A 96 96 ALA C C 96 176.800 177.489 -0.689 1 1 1005 . 6 1 1 A 96 96 ALA CA C 96 53.200 52.217 0.983 1 1 1006 . 6 1 1 A 96 96 ALA CB C 96 19.700 19.593 0.107 1 1 1007 . 6 1 1 A 96 96 ALA N N 96 126.000 125.339 0.661 1 1 1008 . 6 1 1 A 97 97 THR H H 97 7.150 8.635 -1.485 1 1 1009 . 6 1 1 A 97 97 THR HA H 97 4.760 4.819 -0.059 1 1 1014 . 6 1 1 A 97 97 THR C C 97 173.100 173.462 -0.362 1 1 1015 . 6 1 1 A 97 97 THR CA C 97 60.300 59.815 0.485 1 1 1016 . 6 1 1 A 97 97 THR CB C 97 71.600 71.748 -0.148 1 1 1018 . 6 1 1 A 97 97 THR N N 97 109.600 109.290 0.310 1 1 1019 . 6 1 1 A 98 98 ASN H H 98 8.920 8.728 0.192 1 1 1020 . 6 1 1 A 98 98 ASN HA H 98 4.030 4.293 -0.263 1 1 1025 . 6 1 1 A 98 98 ASN C C 98 173.600 173.726 -0.126 1 1 1026 . 6 1 1 A 98 98 ASN CA C 98 53.800 54.280 -0.480 1 1 1027 . 6 1 1 A 98 98 ASN CB C 98 35.500 37.456 -1.956 1 1 1028 . 6 1 1 A 98 98 ASN N N 98 112.300 117.806 -5.506 1 1 1030 . 6 1 1 A 99 99 VAL H H 99 7.170 7.712 -0.542 1 1 1031 . 6 1 1 A 99 99 VAL HA H 99 4.920 4.753 0.167 1 1 1039 . 6 1 1 A 99 99 VAL C C 99 172.400 174.020 -1.620 1 1 1040 . 6 1 1 A 99 99 VAL CA C 99 60.100 59.938 0.162 1 1 1041 . 6 1 1 A 99 99 VAL CB C 99 34.800 35.248 -0.448 1 1 1044 . 6 1 1 A 99 99 VAL N N 99 112.000 117.474 -5.474 1 1 1045 . 6 1 1 A 100 100 GLY H H 100 8.480 8.607 -0.127 1 1 1046 . 6 1 1 A 100 100 GLY HA2 H 100 3.960 4.306 -0.346 1 1 1047 . 6 1 1 A 100 100 GLY HA3 H 100 4.530 4.345 0.185 1 1 1048 . 6 1 1 A 100 100 GLY C C 100 172.600 171.887 0.713 1 1 1049 . 6 1 1 A 100 100 GLY CA C 100 45.000 45.304 -0.304 1 1 1050 . 6 1 1 A 100 100 GLY N N 100 112.100 113.228 -1.128 1 1 1051 . 6 1 1 A 101 101 VAL H H 101 8.030 8.220 -0.190 1 1 1052 . 6 1 1 A 101 101 VAL HA H 101 4.680 4.465 0.215 1 1 1060 . 6 1 1 A 101 101 VAL C C 101 174.500 174.824 -0.324 1 1 1061 . 6 1 1 A 101 101 VAL CA C 101 61.300 60.939 0.361 1 1 1062 . 6 1 1 A 101 101 VAL CB C 101 34.900 33.072 1.828 1 1 1065 . 6 1 1 A 101 101 VAL N N 101 120.000 120.644 -0.644 1 1 1066 . 6 1 1 A 102 102 GLN H H 102 9.150 8.889 0.261 1 1 1067 . 6 1 1 A 102 102 GLN HA H 102 4.700 4.826 -0.126 1 1 1074 . 6 1 1 A 102 102 GLN C C 102 173.600 174.544 -0.944 1 1 1075 . 6 1 1 A 102 102 GLN CA C 102 54.100 54.184 -0.084 1 1 1076 . 6 1 1 A 102 102 GLN CB C 102 34.200 32.028 2.172 1 1 1078 . 6 1 1 A 102 102 GLN N N 102 124.500 124.772 -0.272 1 1 1080 . 6 1 1 A 103 103 ILE H H 103 9.560 8.512 1.048 1 1 1081 . 6 1 1 A 103 103 ILE HA H 103 4.440 4.860 -0.420 1 1 1091 . 6 1 1 A 103 103 ILE C C 103 174.000 174.989 -0.989 1 1 1092 . 6 1 1 A 103 103 ILE CA C 103 60.800 59.925 0.875 1 1 1093 . 6 1 1 A 103 103 ILE CB C 103 39.600 41.452 -1.852 1 1 1097 . 6 1 1 A 103 103 ILE N N 103 123.600 120.595 3.005 1 1 1098 . 6 1 1 A 104 104 LEU H H 104 9.380 9.020 0.360 1 1 1099 . 6 1 1 A 104 104 LEU HA H 104 5.320 4.942 0.378 1 1 1109 . 6 1 1 A 104 104 LEU C C 104 177.700 176.313 1.387 1 1 1110 . 6 1 1 A 104 104 LEU CA C 104 52.500 53.580 -1.080 1 1 1111 . 6 1 1 A 104 104 LEU CB C 104 43.900 45.797 -1.897 1 1 1115 . 6 1 1 A 104 104 LEU N N 104 125.000 126.425 -1.425 1 1 1116 . 6 1 1 A 105 105 ASP H H 105 8.200 8.738 -0.538 1 1 1117 . 6 1 1 A 105 105 ASP HA H 105 4.960 4.927 0.033 1 1 1120 . 6 1 1 A 105 105 ASP C C 105 179.000 177.760 1.240 1 1 1121 . 6 1 1 A 105 105 ASP CA C 105 52.000 53.213 -1.213 1 1 1122 . 6 1 1 A 105 105 ASP CB C 105 42.700 41.440 1.260 1 1 1123 . 6 1 1 A 105 105 ASP N N 105 117.900 122.102 -4.202 1 1 1124 . 6 1 1 A 106 106 ARG H H 106 8.680 8.757 -0.077 1 1 1125 . 6 1 1 A 106 106 ARG HA H 106 4.040 4.089 -0.049 1 1 1131 . 6 1 1 A 106 106 ARG C C 106 177.000 176.904 0.096 1 1 1132 . 6 1 1 A 106 106 ARG CA C 106 58.300 58.789 -0.489 1 1 1133 . 6 1 1 A 106 106 ARG CB C 106 29.300 29.815 -0.515 1 1 1136 . 6 1 1 A 106 106 ARG N N 106 117.500 118.425 -0.925 1 1 1138 . 6 1 1 A 107 107 THR H H 107 8.180 8.030 0.150 1 1 1139 . 6 1 1 A 107 107 THR HA H 107 4.380 4.340 0.040 1 1 1144 . 6 1 1 A 107 107 THR C C 107 175.800 175.621 0.179 1 1 1145 . 6 1 1 A 107 107 THR CA C 107 62.100 62.186 -0.086 1 1 1146 . 6 1 1 A 107 107 THR CB C 107 70.200 70.212 -0.012 1 1 1148 . 6 1 1 A 107 107 THR N N 107 111.000 109.040 1.960 1 1 1149 . 6 1 1 A 108 108 GLY H H 108 8.250 8.021 0.229 1 1 1150 . 6 1 1 A 108 108 GLY HA2 H 108 3.460 3.945 -0.485 1 1 1151 . 6 1 1 A 108 108 GLY HA3 H 108 4.310 3.946 0.364 1 1 1152 . 6 1 1 A 108 108 GLY C C 108 172.600 175.232 -2.632 1 1 1153 . 6 1 1 A 108 108 GLY CA C 108 45.000 46.252 -1.252 1 1 1154 . 6 1 1 A 108 108 GLY N N 108 109.900 110.786 -0.886 1 1 1155 . 6 1 1 A 109 109 ALA H H 109 7.380 8.044 -0.664 1 1 1156 . 6 1 1 A 109 109 ALA HA H 109 4.280 4.353 -0.073 1 1 1160 . 6 1 1 A 109 109 ALA C C 109 176.300 176.425 -0.125 1 1 1161 . 6 1 1 A 109 109 ALA CA C 109 51.500 51.492 0.008 1 1 1162 . 6 1 1 A 109 109 ALA CB C 109 19.800 18.470 1.330 1 1 1163 . 6 1 1 A 109 109 ALA N N 109 123.700 122.197 1.503 1 1 1164 . 6 1 1 A 110 110 ALA H H 110 8.240 7.740 0.500 1 1 1165 . 6 1 1 A 110 110 ALA HA H 110 4.710 3.866 0.844 1 1 1169 . 6 1 1 A 110 110 ALA C C 110 178.500 176.754 1.746 1 1 1170 . 6 1 1 A 110 110 ALA CA C 110 51.500 52.595 -1.095 1 1 1171 . 6 1 1 A 110 110 ALA CB C 110 18.800 17.601 1.199 1 1 1172 . 6 1 1 A 110 110 ALA N N 110 123.400 118.141 5.259 1 1 1173 . 6 1 1 A 111 111 LEU H H 111 8.880 8.160 0.720 1 1 1174 . 6 1 1 A 111 111 LEU HA H 111 4.480 4.269 0.211 1 1 1184 . 6 1 1 A 111 111 LEU C C 111 176.900 177.408 -0.508 1 1 1185 . 6 1 1 A 111 111 LEU CA C 111 54.500 55.555 -1.055 1 1 1186 . 6 1 1 A 111 111 LEU CB C 111 42.400 42.148 0.252 1 1 1190 . 6 1 1 A 111 111 LEU N N 111 125.900 121.024 4.876 1 1 1191 . 6 1 1 A 112 112 THR H H 112 7.980 8.316 -0.336 1 1 1192 . 6 1 1 A 112 112 THR HA H 112 3.940 4.462 -0.522 1 1 1197 . 6 1 1 A 112 112 THR C C 112 174.700 174.240 0.460 1 1 1198 . 6 1 1 A 112 112 THR CA C 112 63.600 62.501 1.099 1 1 1199 . 6 1 1 A 112 112 THR CB C 112 69.100 69.661 -0.561 1 1 1201 . 6 1 1 A 112 112 THR N N 112 114.300 117.740 -3.440 1 1 1202 . 6 1 1 A 113 113 LEU H H 113 7.460 8.615 -1.155 1 1 1203 . 6 1 1 A 113 113 LEU HA H 113 4.860 4.987 -0.127 1 1 1213 . 6 1 1 A 113 113 LEU C C 113 177.000 175.933 1.067 1 1 1214 . 6 1 1 A 113 113 LEU CA C 113 54.700 53.945 0.755 1 1 1215 . 6 1 1 A 113 113 LEU CB C 113 42.100 42.496 -0.396 1 1 1219 . 6 1 1 A 113 113 LEU N N 113 124.600 123.838 0.762 1 1 1220 . 6 1 1 A 114 114 ASP H H 114 7.680 8.542 -0.862 1 1 1221 . 6 1 1 A 114 114 ASP HA H 114 4.640 4.811 -0.171 1 1 1224 . 6 1 1 A 114 114 ASP C C 114 178.100 177.103 0.997 1 1 1225 . 6 1 1 A 114 114 ASP CA C 114 53.600 53.704 -0.104 1 1 1226 . 6 1 1 A 114 114 ASP CB C 114 41.400 42.431 -1.031 1 1 1227 . 6 1 1 A 114 114 ASP N N 114 116.100 123.253 -7.153 1 1 1228 . 6 1 1 A 115 115 GLY H H 115 8.730 8.275 0.455 1 1 1229 . 6 1 1 A 115 115 GLY HA2 H 115 3.920 3.931 -0.011 1 1 1230 . 6 1 1 A 115 115 GLY HA3 H 115 3.190 3.932 -0.742 1 1 1231 . 6 1 1 A 115 115 GLY C C 115 172.400 174.166 -1.766 1 1 1232 . 6 1 1 A 115 115 GLY CA C 115 46.500 45.775 0.725 1 1 1233 . 6 1 1 A 115 115 GLY N N 115 110.200 107.759 2.441 1 1 1234 . 6 1 1 A 116 116 ALA H H 116 7.930 7.943 -0.013 1 1 1235 . 6 1 1 A 116 116 ALA HA H 116 4.380 4.557 -0.177 1 1 1239 . 6 1 1 A 116 116 ALA C C 116 176.100 177.410 -1.310 1 1 1240 . 6 1 1 A 116 116 ALA CA C 116 51.300 51.312 -0.012 1 1 1241 . 6 1 1 A 116 116 ALA CB C 116 20.700 21.343 -0.643 1 1 1242 . 6 1 1 A 116 116 ALA N N 116 120.900 121.211 -0.311 1 1 1243 . 6 1 1 A 117 117 THR H H 117 7.720 7.616 0.104 1 1 1244 . 6 1 1 A 117 117 THR HA H 117 4.400 4.377 0.023 1 1 1249 . 6 1 1 A 117 117 THR C C 117 173.700 173.992 -0.292 1 1 1250 . 6 1 1 A 117 117 THR CA C 117 62.000 62.988 -0.988 1 1 1251 . 6 1 1 A 117 117 THR CB C 117 68.400 69.222 -0.822 1 1 1253 . 6 1 1 A 117 117 THR N N 117 118.200 115.319 2.881 1 1 1254 . 6 1 1 A 118 118 PHE H H 118 8.880 9.048 -0.168 1 1 1255 . 6 1 1 A 118 118 PHE HA H 118 4.280 5.046 -0.766 1 1 1256 . 6 1 1 A 118 118 PHE C C 118 176.400 174.582 1.818 1 1 1257 . 6 1 1 A 118 118 PHE CA C 118 59.000 55.584 3.416 1 1 1258 . 6 1 1 A 118 118 PHE CB C 118 40.300 40.766 -0.466 1 1 1259 . 6 1 1 A 118 118 PHE N N 118 126.400 124.870 1.530 1 1 1260 . 6 1 1 A 119 119 SER H H 119 9.240 8.425 0.815 1 1 1261 . 6 1 1 A 119 119 SER HA H 119 4.570 4.647 -0.077 1 1 1264 . 6 1 1 A 119 119 SER C C 119 172.700 175.027 -2.327 1 1 1265 . 6 1 1 A 119 119 SER CA C 119 58.100 55.881 2.219 1 1 1266 . 6 1 1 A 119 119 SER CB C 119 66.400 65.927 0.473 1 1 1267 . 6 1 1 A 119 119 SER N N 119 116.900 117.023 -0.123 1 1 1268 . 6 1 1 A 120 120 SER H H 120 9.030 8.773 0.257 1 1 1269 . 6 1 1 A 120 120 SER HA H 120 4.220 4.180 0.040 1 1 1272 . 6 1 1 A 120 120 SER C C 120 175.800 174.755 1.045 1 1 1273 . 6 1 1 A 120 120 SER CA C 120 59.500 59.177 0.323 1 1 1274 . 6 1 1 A 120 120 SER CB C 120 62.800 63.072 -0.272 1 1 1275 . 6 1 1 A 120 120 SER N N 120 113.500 118.878 -5.378 1 1 1276 . 6 1 1 A 121 121 GLU H H 121 8.890 8.695 0.195 1 1 1277 . 6 1 1 A 121 121 GLU HA H 121 4.440 4.407 0.033 1 1 1282 . 6 1 1 A 121 121 GLU C C 121 177.300 174.627 2.673 1 1 1283 . 6 1 1 A 121 121 GLU CA C 121 57.400 58.719 -1.319 1 1 1284 . 6 1 1 A 121 121 GLU CB C 121 30.600 28.566 2.034 1 1 1286 . 6 1 1 A 121 121 GLU N N 121 123.700 118.162 5.538 1 1 1287 . 6 1 1 A 122 122 THR H H 122 9.370 8.627 0.743 1 1 1288 . 6 1 1 A 122 122 THR HA H 122 4.530 4.690 -0.160 1 1 1293 . 6 1 1 A 122 122 THR C C 122 173.900 173.135 0.765 1 1 1294 . 6 1 1 A 122 122 THR CA C 122 62.500 61.306 1.194 1 1 1295 . 6 1 1 A 122 122 THR CB C 122 72.000 71.980 0.020 1 1 1297 . 6 1 1 A 122 122 THR N N 122 122.600 116.139 6.461 1 1 1298 . 6 1 1 A 123 123 THR H H 123 8.930 8.825 0.105 1 1 1299 . 6 1 1 A 123 123 THR HA H 123 4.400 4.608 -0.208 1 1 1304 . 6 1 1 A 123 123 THR C C 123 173.900 174.555 -0.655 1 1 1305 . 6 1 1 A 123 123 THR CA C 123 63.500 63.050 0.450 1 1 1306 . 6 1 1 A 123 123 THR CB C 123 68.700 68.848 -0.148 1 1 1308 . 6 1 1 A 123 123 THR N N 123 124.900 121.901 2.999 1 1 1309 . 6 1 1 A 124 124 LEU H H 124 8.360 9.127 -0.767 1 1 1310 . 6 1 1 A 124 124 LEU HA H 124 4.240 4.534 -0.294 1 1 1320 . 6 1 1 A 124 124 LEU C C 124 176.400 175.695 0.705 1 1 1321 . 6 1 1 A 124 124 LEU CA C 124 54.300 54.711 -0.411 1 1 1322 . 6 1 1 A 124 124 LEU CB C 124 43.300 42.481 0.819 1 1 1326 . 6 1 1 A 124 124 LEU N N 124 127.700 128.201 -0.501 1 1 1327 . 6 1 1 A 125 125 ASN H H 125 8.950 8.991 -0.041 1 1 1328 . 6 1 1 A 125 125 ASN HA H 125 4.930 5.173 -0.243 1 1 1333 . 6 1 1 A 125 125 ASN C C 125 175.800 174.411 1.389 1 1 1334 . 6 1 1 A 125 125 ASN CA C 125 51.100 52.030 -0.930 1 1 1335 . 6 1 1 A 125 125 ASN CB C 125 41.800 41.143 0.657 1 1 1336 . 6 1 1 A 125 125 ASN N N 125 117.400 115.530 1.870 1 1 1338 . 6 1 1 A 126 126 ASN H H 126 8.890 8.630 0.260 1 1 1339 . 6 1 1 A 126 126 ASN HA H 126 4.640 4.976 -0.336 1 1 1344 . 6 1 1 A 126 126 ASN C C 126 177.400 175.618 1.782 1 1 1345 . 6 1 1 A 126 126 ASN CA C 126 54.500 54.670 -0.170 1 1 1346 . 6 1 1 A 126 126 ASN CB C 126 38.200 37.396 0.804 1 1 1347 . 6 1 1 A 126 126 ASN N N 126 120.300 118.292 2.008 1 1 1349 . 6 1 1 A 127 127 GLY H H 127 9.090 8.135 0.955 1 1 1350 . 6 1 1 A 127 127 GLY HA2 H 127 3.650 4.099 -0.449 1 1 1351 . 6 1 1 A 127 127 GLY HA3 H 127 4.400 4.099 0.301 1 1 1352 . 6 1 1 A 127 127 GLY CA C 127 45.600 44.196 1.404 1 1 1353 . 6 1 1 A 127 127 GLY N N 127 112.300 110.438 1.862 1 1 1354 . 6 1 1 A 128 128 THR H H 128 8.870 8.554 0.316 1 1 1355 . 6 1 1 A 128 128 THR HA H 128 5.270 4.772 0.498 1 1 1360 . 6 1 1 A 128 128 THR C C 128 175.700 173.958 1.742 1 1 1361 . 6 1 1 A 128 128 THR CA C 128 63.500 63.273 0.227 1 1 1362 . 6 1 1 A 128 128 THR CB C 128 69.600 69.293 0.307 1 1 1364 . 6 1 1 A 128 128 THR N N 128 123.700 116.591 7.109 1 1 1365 . 6 1 1 A 129 129 ASN H H 129 10.060 9.076 0.984 1 1 1366 . 6 1 1 A 129 129 ASN HA H 129 5.070 5.491 -0.421 1 1 1371 . 6 1 1 A 129 129 ASN C C 129 172.700 174.134 -1.434 1 1 1372 . 6 1 1 A 129 129 ASN CA C 129 52.700 51.677 1.023 1 1 1373 . 6 1 1 A 129 129 ASN CB C 129 44.400 42.179 2.221 1 1 1374 . 6 1 1 A 129 129 ASN N N 129 125.700 124.407 1.293 1 1 1376 . 6 1 1 A 130 130 THR H H 130 9.030 8.669 0.361 1 1 1377 . 6 1 1 A 130 130 THR HA H 130 4.790 5.088 -0.298 1 1 1382 . 6 1 1 A 130 130 THR C C 130 172.900 173.624 -0.724 1 1 1383 . 6 1 1 A 130 130 THR CA C 130 61.800 61.174 0.626 1 1 1384 . 6 1 1 A 130 130 THR CB C 130 70.100 72.296 -2.196 1 1 1386 . 6 1 1 A 130 130 THR N N 130 117.800 115.510 2.290 1 1 1387 . 6 1 1 A 131 131 ILE H H 131 9.050 8.264 0.786 1 1 1388 . 6 1 1 A 131 131 ILE HA H 131 4.480 4.498 -0.018 1 1 1398 . 6 1 1 A 131 131 ILE CA C 131 58.300 57.580 0.720 1 1 1399 . 6 1 1 A 131 131 ILE CB C 131 39.600 40.507 -0.907 1 1 1403 . 6 1 1 A 131 131 ILE N N 131 128.200 124.599 3.601 1 1 1404 . 6 1 1 A 132 132 PRO HA H 132 4.940 4.844 0.096 1 1 1409 . 6 1 1 A 132 132 PRO C C 132 175.200 176.112 -0.912 1 1 1410 . 6 1 1 A 132 132 PRO CA C 132 62.200 61.974 0.226 1 1 1411 . 6 1 1 A 132 132 PRO CB C 132 32.900 30.620 2.280 1 1 1414 . 6 1 1 A 133 133 PHE H H 133 8.460 8.290 0.170 1 1 1415 . 6 1 1 A 133 133 PHE HA H 133 4.530 4.646 -0.116 1 1 1418 . 6 1 1 A 133 133 PHE C C 133 175.600 176.058 -0.458 1 1 1419 . 6 1 1 A 133 133 PHE CA C 133 57.000 57.368 -0.368 1 1 1420 . 6 1 1 A 133 133 PHE CB C 133 45.000 39.446 5.554 1 1 1424 . 6 1 1 A 133 133 PHE N N 133 117.000 122.774 -5.774 1 1 1425 . 6 1 1 A 134 134 GLN H H 134 8.830 8.633 0.197 1 1 1426 . 6 1 1 A 134 134 GLN HA H 134 5.490 5.408 0.082 1 1 1431 . 6 1 1 A 134 134 GLN C C 134 174.500 175.050 -0.550 1 1 1432 . 6 1 1 A 134 134 GLN CA C 134 54.200 54.353 -0.153 1 1 1433 . 6 1 1 A 134 134 GLN CB C 134 35.000 32.310 2.690 1 1 1435 . 6 1 1 A 134 134 GLN N N 134 117.300 119.149 -1.849 1 1 1437 . 6 1 1 A 135 135 ALA H H 135 9.280 9.187 0.093 1 1 1438 . 6 1 1 A 135 135 ALA HA H 135 5.620 5.096 0.524 1 1 1442 . 6 1 1 A 135 135 ALA C C 135 174.900 175.444 -0.544 1 1 1443 . 6 1 1 A 135 135 ALA CA C 135 50.500 50.844 -0.344 1 1 1444 . 6 1 1 A 135 135 ALA CB C 135 25.000 24.289 0.711 1 1 1445 . 6 1 1 A 135 135 ALA N N 135 121.800 122.086 -0.286 1 1 1446 . 6 1 1 A 136 136 ARG H H 136 8.380 7.981 0.399 1 1 1447 . 6 1 1 A 136 136 ARG HA H 136 4.520 4.914 -0.394 1 1 1453 . 6 1 1 A 136 136 ARG C C 136 173.600 174.470 -0.870 1 1 1454 . 6 1 1 A 136 136 ARG CA C 136 53.900 54.902 -1.002 1 1 1455 . 6 1 1 A 136 136 ARG CB C 136 33.400 33.156 0.244 1 1 1457 . 6 1 1 A 136 136 ARG N N 136 113.300 115.976 -2.676 1 1 1459 . 6 1 1 A 137 137 TYR H H 137 8.550 8.661 -0.111 1 1 1460 . 6 1 1 A 137 137 TYR HA H 137 5.360 4.977 0.383 1 1 1463 . 6 1 1 A 137 137 TYR C C 137 175.500 175.284 0.216 1 1 1464 . 6 1 1 A 137 137 TYR CA C 137 58.300 58.979 -0.679 1 1 1465 . 6 1 1 A 137 137 TYR CB C 137 39.900 39.365 0.535 1 1 1468 . 6 1 1 A 137 137 TYR N N 137 118.500 121.212 -2.712 1 1 1469 . 6 1 1 A 138 138 PHE H H 138 8.870 9.384 -0.514 1 1 1470 . 6 1 1 A 138 138 PHE HA H 138 4.920 5.406 -0.486 1 1 1474 . 6 1 1 A 138 138 PHE C C 138 173.600 173.664 -0.064 1 1 1475 . 6 1 1 A 138 138 PHE CA C 138 56.400 56.251 0.149 1 1 1476 . 6 1 1 A 138 138 PHE CB C 138 44.100 42.247 1.853 1 1 1480 . 6 1 1 A 138 138 PHE N N 138 122.300 123.619 -1.319 1 1 1481 . 6 1 1 A 139 139 ALA H H 139 8.730 8.721 0.009 1 1 1482 . 6 1 1 A 139 139 ALA HA H 139 5.040 4.628 0.412 1 1 1486 . 6 1 1 A 139 139 ALA C C 139 176.200 178.628 -2.428 1 1 1487 . 6 1 1 A 139 139 ALA CA C 139 51.000 51.647 -0.647 1 1 1488 . 6 1 1 A 139 139 ALA CB C 139 19.700 19.180 0.520 1 1 1489 . 6 1 1 A 139 139 ALA N N 139 131.200 130.308 0.892 1 1 1490 . 6 1 1 A 140 140 THR H H 140 8.230 9.044 -0.814 1 1 1491 . 6 1 1 A 140 140 THR HA H 140 4.260 4.628 -0.368 1 1 1496 . 6 1 1 A 140 140 THR C C 140 173.800 173.864 -0.064 1 1 1497 . 6 1 1 A 140 140 THR CA C 140 60.800 61.438 -0.638 1 1 1498 . 6 1 1 A 140 140 THR CB C 140 67.100 69.210 -2.110 1 1 1500 . 6 1 1 A 140 140 THR N N 140 111.900 112.382 -0.482 1 1 1501 . 6 1 1 A 141 141 GLY H H 141 7.450 7.276 0.174 1 1 1502 . 6 1 1 A 141 141 GLY HA2 H 141 3.620 4.050 -0.430 1 1 1503 . 6 1 1 A 141 141 GLY HA3 H 141 3.710 4.065 -0.355 1 1 1504 . 6 1 1 A 141 141 GLY C C 141 169.500 172.011 -2.511 1 1 1505 . 6 1 1 A 141 141 GLY CA C 141 44.300 45.588 -1.288 1 1 1506 . 6 1 1 A 141 141 GLY N N 141 110.300 109.363 0.937 1 1 1507 . 6 1 1 A 142 142 ALA H H 142 8.280 8.148 0.132 1 1 1508 . 6 1 1 A 142 142 ALA HA H 142 4.260 4.383 -0.123 1 1 1512 . 6 1 1 A 142 142 ALA C C 142 177.200 176.968 0.232 1 1 1513 . 6 1 1 A 142 142 ALA CA C 142 52.100 51.759 0.341 1 1 1514 . 6 1 1 A 142 142 ALA CB C 142 17.200 17.437 -0.237 1 1 1515 . 6 1 1 A 142 142 ALA N N 142 121.800 124.529 -2.729 1 1 1516 . 6 1 1 A 143 143 ALA H H 143 8.520 8.059 0.461 1 1 1517 . 6 1 1 A 143 143 ALA HA H 143 4.670 4.515 0.155 1 1 1521 . 6 1 1 A 143 143 ALA C C 143 178.100 177.639 0.461 1 1 1522 . 6 1 1 A 143 143 ALA CA C 143 52.500 52.380 0.120 1 1 1523 . 6 1 1 A 143 143 ALA CB C 143 21.200 19.608 1.592 1 1 1524 . 6 1 1 A 143 143 ALA N N 143 130.000 124.574 5.426 1 1 1525 . 6 1 1 A 144 144 THR H H 144 7.590 8.232 -0.642 1 1 1526 . 6 1 1 A 144 144 THR HA H 144 4.710 4.965 -0.255 1 1 1531 . 6 1 1 A 144 144 THR CA C 144 58.200 58.341 -0.141 1 1 1532 . 6 1 1 A 144 144 THR CB C 144 68.100 70.123 -2.023 1 1 1534 . 6 1 1 A 144 144 THR N N 144 110.000 110.844 -0.844 1 1 1535 . 6 1 1 A 145 145 PRO HA H 145 4.020 4.616 -0.596 1 1 1542 . 6 1 1 A 145 145 PRO C C 145 176.700 175.694 1.006 1 1 1543 . 6 1 1 A 145 145 PRO CA C 145 62.600 62.789 -0.189 1 1 1544 . 6 1 1 A 145 145 PRO CB C 145 33.000 33.525 -0.525 1 1 1547 . 6 1 1 A 146 146 GLY H H 146 8.850 7.940 0.910 1 1 1548 . 6 1 1 A 146 146 GLY HA2 H 146 3.790 4.195 -0.405 1 1 1549 . 6 1 1 A 146 146 GLY HA3 H 146 4.360 4.199 0.161 1 1 1550 . 6 1 1 A 146 146 GLY C C 146 172.500 172.208 0.292 1 1 1551 . 6 1 1 A 146 146 GLY CA C 146 44.200 45.809 -1.609 1 1 1552 . 6 1 1 A 146 146 GLY N N 146 107.700 108.958 -1.258 1 1 1553 . 6 1 1 A 147 147 ALA H H 147 8.360 8.383 -0.023 1 1 1554 . 6 1 1 A 147 147 ALA HA H 147 4.160 5.116 -0.956 1 1 1558 . 6 1 1 A 147 147 ALA C C 147 177.900 176.074 1.826 1 1 1559 . 6 1 1 A 147 147 ALA CA C 147 54.200 50.312 3.888 1 1 1560 . 6 1 1 A 147 147 ALA CB C 147 19.400 22.931 -3.531 1 1 1561 . 6 1 1 A 147 147 ALA N N 147 122.500 125.469 -2.969 1 1 1562 . 6 1 1 A 148 148 ALA H H 148 8.660 8.548 0.112 1 1 1563 . 6 1 1 A 148 148 ALA HA H 148 4.940 4.845 0.095 1 1 1567 . 6 1 1 A 148 148 ALA C C 148 173.800 176.127 -2.327 1 1 1568 . 6 1 1 A 148 148 ALA CA C 148 51.200 50.992 0.208 1 1 1569 . 6 1 1 A 148 148 ALA CB C 148 18.300 19.477 -1.177 1 1 1570 . 6 1 1 A 148 148 ALA N N 148 129.300 121.825 7.475 1 1 1571 . 6 1 1 A 149 149 ASN H H 149 8.820 9.012 -0.192 1 1 1572 . 6 1 1 A 149 149 ASN HA H 149 5.640 5.851 -0.211 1 1 1577 . 6 1 1 A 149 149 ASN C C 149 174.400 174.516 -0.116 1 1 1578 . 6 1 1 A 149 149 ASN CA C 149 51.300 51.935 -0.635 1 1 1579 . 6 1 1 A 149 149 ASN CB C 149 40.400 42.322 -1.922 1 1 1580 . 6 1 1 A 149 149 ASN N N 149 121.200 122.039 -0.839 1 1 1582 . 6 1 1 A 150 150 ALA H H 150 9.100 9.213 -0.113 1 1 1583 . 6 1 1 A 150 150 ALA HA H 150 4.890 5.015 -0.125 1 1 1587 . 6 1 1 A 150 150 ALA C C 150 174.600 175.303 -0.703 1 1 1588 . 6 1 1 A 150 150 ALA CA C 150 52.200 51.276 0.924 1 1 1589 . 6 1 1 A 150 150 ALA CB C 150 25.100 24.281 0.819 1 1 1590 . 6 1 1 A 150 150 ALA N N 150 122.600 122.194 0.406 1 1 1591 . 6 1 1 A 151 151 ASP H H 151 9.010 9.039 -0.029 1 1 1592 . 6 1 1 A 151 151 ASP HA H 151 5.870 5.742 0.128 1 1 1595 . 6 1 1 A 151 151 ASP C C 151 174.100 174.722 -0.622 1 1 1596 . 6 1 1 A 151 151 ASP CA C 151 53.400 53.121 0.279 1 1 1597 . 6 1 1 A 151 151 ASP CB C 151 45.300 45.275 0.025 1 1 1598 . 6 1 1 A 151 151 ASP N N 151 120.000 116.334 3.666 1 1 1599 . 6 1 1 A 152 152 ALA H H 152 8.870 8.785 0.085 1 1 1600 . 6 1 1 A 152 152 ALA HA H 152 5.160 5.234 -0.074 1 1 1604 . 6 1 1 A 152 152 ALA C C 152 176.400 176.177 0.223 1 1 1605 . 6 1 1 A 152 152 ALA CA C 152 51.200 51.002 0.198 1 1 1606 . 6 1 1 A 152 152 ALA CB C 152 23.400 24.379 -0.979 1 1 1607 . 6 1 1 A 152 152 ALA N N 152 120.700 121.573 -0.873 1 1 1608 . 6 1 1 A 153 153 THR H H 153 8.830 8.800 0.030 1 1 1609 . 6 1 1 A 153 153 THR HA H 153 5.350 5.263 0.087 1 1 1614 . 6 1 1 A 153 153 THR C C 153 173.900 173.754 0.146 1 1 1615 . 6 1 1 A 153 153 THR CA C 153 60.100 59.116 0.984 1 1 1616 . 6 1 1 A 153 153 THR CB C 153 71.900 71.845 0.055 1 1 1618 . 6 1 1 A 153 153 THR N N 153 111.300 109.043 2.257 1 1 1619 . 6 1 1 A 154 154 PHE H H 154 8.460 8.769 -0.309 1 1 1620 . 6 1 1 A 154 154 PHE HA H 154 5.760 5.317 0.443 1 1 1621 . 6 1 1 A 154 154 PHE C C 154 174.500 174.025 0.475 1 1 1622 . 6 1 1 A 154 154 PHE CA C 154 55.600 54.495 1.105 1 1 1623 . 6 1 1 A 154 154 PHE CB C 154 42.300 41.823 0.477 1 1 1625 . 6 1 1 A 154 154 PHE N N 154 114.500 117.705 -3.205 1 1 1626 . 6 1 1 A 155 155 LYS H H 155 8.780 8.709 0.071 1 1 1627 . 6 1 1 A 155 155 LYS HA H 155 4.810 4.778 0.032 1 1 1632 . 6 1 1 A 155 155 LYS C C 155 174.800 175.105 -0.305 1 1 1633 . 6 1 1 A 155 155 LYS CA C 155 54.600 54.389 0.211 1 1 1634 . 6 1 1 A 155 155 LYS CB C 155 36.800 36.687 0.113 1 1 1638 . 6 1 1 A 155 155 LYS N N 155 120.700 118.699 2.001 1 1 1639 . 6 1 1 A 156 156 VAL H H 156 8.690 8.808 -0.118 1 1 1640 . 6 1 1 A 156 156 VAL HA H 156 4.840 4.795 0.045 1 1 1648 . 6 1 1 A 156 156 VAL C C 156 173.200 174.494 -1.294 1 1 1649 . 6 1 1 A 156 156 VAL CA C 156 60.900 60.709 0.191 1 1 1650 . 6 1 1 A 156 156 VAL CB C 156 34.100 34.417 -0.317 1 1 1653 . 6 1 1 A 156 156 VAL N N 156 120.300 120.710 -0.410 1 1 1654 . 6 1 1 A 157 157 GLN H H 157 9.040 9.085 -0.045 1 1 1655 . 6 1 1 A 157 157 GLN HA H 157 5.130 5.113 0.017 1 1 1662 . 6 1 1 A 157 157 GLN C C 157 174.300 174.163 0.137 1 1 1663 . 6 1 1 A 157 157 GLN CA C 157 53.500 54.139 -0.639 1 1 1664 . 6 1 1 A 157 157 GLN CB C 157 34.500 29.734 4.766 1 1 1666 . 6 1 1 A 157 157 GLN N N 157 126.200 127.774 -1.574 1 1 1668 . 6 1 1 A 158 158 TYR H H 158 9.130 8.493 0.637 1 1 1669 . 6 1 1 A 158 158 TYR HA H 158 5.310 5.036 0.274 1 1 1672 . 6 1 1 A 158 158 TYR C C 158 175.800 175.802 -0.002 1 1 1673 . 6 1 1 A 158 158 TYR CA C 158 56.800 59.742 -2.942 1 1 1674 . 6 1 1 A 158 158 TYR CB C 158 40.600 39.471 1.129 1 1 1677 . 6 1 1 A 158 158 TYR N N 158 126.400 126.349 0.051 1 1 1678 . 6 1 1 A 159 159 GLN H H 159 8.580 8.869 -0.289 1 1 1679 . 6 1 1 A 159 159 GLN HA H 159 4.890 4.871 0.019 1 1 1686 . 6 1 1 A 159 159 GLN C C 159 175.800 174.587 1.213 1 1 1687 . 6 1 1 A 159 159 GLN CA C 159 54.800 54.347 0.453 1 1 1688 . 6 1 1 A 159 159 GLN CB C 159 32.500 31.821 0.679 1 1 1690 . 6 1 1 A 159 159 GLN N N 159 119.700 121.280 -1.580 1 1 1692 . 6 1 1 A 160 160 GLY H H 160 8.740 8.348 0.392 1 1 1693 . 6 1 1 A 160 160 GLY HA2 H 160 4.120 4.033 0.087 1 1 1694 . 6 1 1 A 160 160 GLY HA3 H 160 4.180 4.043 0.137 1 1 1695 . 6 1 1 A 160 160 GLY C C 160 174.800 174.917 -0.117 1 1 1696 . 6 1 1 A 160 160 GLY CA C 160 45.400 45.212 0.188 1 1 1697 . 6 1 1 A 160 160 GLY N N 160 109.800 107.022 2.778 1 1 1698 . 6 1 1 A 161 161 GLY H H 161 8.560 7.787 0.773 1 1 1699 . 6 1 1 A 161 161 GLY C C 161 175.300 173.399 1.901 1 1 1700 . 6 1 1 A 161 161 GLY CA C 161 45.100 45.025 0.075 1 1 1701 . 6 1 1 A 161 161 GLY N N 161 109.200 107.904 1.296 1 1 1702 . 6 1 1 A 162 162 GLY H H 162 8.480 8.155 0.325 1 1 1703 . 6 1 1 A 162 162 GLY HA2 H 162 4.040 4.326 -0.286 1 1 1704 . 6 1 1 A 162 162 GLY HA3 H 162 3.910 4.326 -0.416 1 1 1705 . 6 1 1 A 162 162 GLY C C 162 175.400 173.439 1.961 1 1 1706 . 6 1 1 A 162 162 GLY CA C 162 45.800 45.846 -0.046 1 1 1707 . 6 1 1 A 162 162 GLY N N 162 108.700 109.019 -0.319 1 1 1708 . 6 1 1 A 163 163 GLY H H 163 8.500 8.892 -0.392 1 1 1709 . 6 1 1 A 163 163 GLY HA2 H 163 3.960 3.903 0.057 1 1 1710 . 6 1 1 A 163 163 GLY HA3 H 163 3.980 3.904 0.076 1 1 1711 . 6 1 1 A 163 163 GLY C C 163 175.400 174.082 1.318 1 1 1712 . 6 1 1 A 163 163 GLY CA C 163 45.700 45.648 0.052 1 1 1713 . 6 1 1 A 163 163 GLY N N 163 109.000 109.488 -0.488 1 1 1714 . 6 1 1 A 164 164 GLY H H 164 8.290 8.311 -0.021 1 1 1715 . 6 1 1 A 164 164 GLY HA2 H 164 3.890 4.138 -0.248 1 1 1716 . 6 1 1 A 164 164 GLY HA3 H 164 3.980 4.138 -0.158 1 1 1717 . 6 1 1 A 164 164 GLY C C 164 175.100 174.181 0.919 1 1 1718 . 6 1 1 A 164 164 GLY CA C 164 45.700 45.331 0.369 1 1 1719 . 6 1 1 A 164 164 GLY N N 164 109.100 108.291 0.809 1 1 1720 . 6 1 1 A 165 165 GLY H H 165 8.210 8.533 -0.323 1 1 1721 . 6 1 1 A 165 165 GLY HA2 H 165 3.950 4.041 -0.091 1 1 1722 . 6 1 1 A 165 165 GLY HA3 H 165 3.920 4.041 -0.121 1 1 1723 . 6 1 1 A 165 165 GLY C C 165 173.900 174.502 -0.602 1 1 1724 . 6 1 1 A 165 165 GLY CA C 165 45.200 46.531 -1.331 1 1 1725 . 6 1 1 A 165 165 GLY N N 165 108.500 111.504 -3.004 1 1 1726 . 6 1 1 A 166 166 ALA H H 166 8.110 7.829 0.281 1 1 1727 . 6 1 1 A 166 166 ALA HA H 166 4.370 4.757 -0.387 1 1 1731 . 6 1 1 A 166 166 ALA C C 166 177.100 177.044 0.056 1 1 1732 . 6 1 1 A 166 166 ALA CA C 166 52.100 50.742 1.358 1 1 1733 . 6 1 1 A 166 166 ALA CB C 166 19.800 21.245 -1.445 1 1 1734 . 6 1 1 A 166 166 ALA N N 166 123.800 122.610 1.190 1 1 1735 . 6 1 1 A 167 167 ALA H H 167 8.350 8.601 -0.251 1 1 1736 . 6 1 1 A 167 167 ALA HA H 167 4.840 4.228 0.612 1 1 1740 . 6 1 1 A 167 167 ALA C C 167 177.800 176.578 1.222 1 1 1741 . 6 1 1 A 167 167 ALA CA C 167 51.900 52.857 -0.957 1 1 1742 . 6 1 1 A 167 167 ALA CB C 167 20.000 17.328 2.672 1 1 1743 . 6 1 1 A 167 167 ALA N N 167 123.800 124.298 -0.498 1 1 1744 . 6 1 1 A 168 168 THR H H 168 8.580 8.240 0.340 1 1 1745 . 6 1 1 A 168 168 THR HA H 168 4.600 4.354 0.246 1 1 1750 . 6 1 1 A 168 168 THR C C 168 173.300 173.898 -0.598 1 1 1751 . 6 1 1 A 168 168 THR CA C 168 61.900 62.422 -0.522 1 1 1752 . 6 1 1 A 168 168 THR CB C 168 71.300 68.279 3.021 1 1 1754 . 6 1 1 A 168 168 THR N N 168 117.900 113.093 4.807 1 1 1755 . 6 1 1 A 169 169 THR H H 169 8.710 9.010 -0.300 1 1 1756 . 6 1 1 A 169 169 THR HA H 169 5.300 4.892 0.408 1 1 1761 . 6 1 1 A 169 169 THR C C 169 174.300 174.672 -0.372 1 1 1762 . 6 1 1 A 169 169 THR CA C 169 61.700 62.844 -1.144 1 1 1763 . 6 1 1 A 169 169 THR CB C 169 70.000 69.385 0.615 1 1 1765 . 6 1 1 A 169 169 THR N N 169 122.400 123.157 -0.757 1 1 1766 . 6 1 1 A 170 170 VAL H H 170 9.280 9.020 0.260 1 1 1767 . 6 1 1 A 170 170 VAL HA H 170 4.770 4.828 -0.058 1 1 1775 . 6 1 1 A 170 170 VAL C C 170 175.300 174.871 0.429 1 1 1776 . 6 1 1 A 170 170 VAL CA C 170 59.000 59.082 -0.082 1 1 1777 . 6 1 1 A 170 170 VAL CB C 170 35.500 35.929 -0.429 1 1 1780 . 6 1 1 A 170 170 VAL N N 170 120.400 119.982 0.418 1 1 1781 . 6 1 1 A 171 171 ASN H H 171 8.770 8.811 -0.041 1 1 1782 . 6 1 1 A 171 171 ASN HA H 171 4.470 4.484 -0.014 1 1 1785 . 6 1 1 A 171 171 ASN C C 171 174.900 175.405 -0.505 1 1 1786 . 6 1 1 A 171 171 ASN CA C 171 54.700 54.068 0.632 1 1 1787 . 6 1 1 A 171 171 ASN CB C 171 38.200 38.450 -0.250 1 1 1788 . 6 1 1 A 171 171 ASN N N 171 121.100 120.991 0.109 1 1 1790 . 6 1 1 A 172 172 GLY H H 172 8.390 8.087 0.303 1 1 1791 . 6 1 1 A 172 172 GLY HA2 H 172 2.980 2.864 0.116 1 1 1792 . 6 1 1 A 172 172 GLY HA3 H 172 3.970 3.657 0.313 1 1 1793 . 6 1 1 A 172 172 GLY C C 172 171.500 173.576 -2.076 1 1 1794 . 6 1 1 A 172 172 GLY CA C 172 46.000 45.542 0.458 1 1 1795 . 6 1 1 A 172 172 GLY N N 172 113.000 111.159 1.841 1 1 1796 . 6 1 1 A 173 173 GLY H H 173 5.960 6.444 -0.484 1 1 1797 . 6 1 1 A 173 173 GLY HA2 H 173 3.790 3.890 -0.100 1 1 1798 . 6 1 1 A 173 173 GLY HA3 H 173 4.110 3.967 0.143 1 1 1799 . 6 1 1 A 173 173 GLY C C 173 172.000 171.416 0.584 1 1 1800 . 6 1 1 A 173 173 GLY CA C 173 46.400 45.593 0.807 1 1 1801 . 6 1 1 A 173 173 GLY N N 173 106.500 104.213 2.287 1 1 1802 . 6 1 1 A 174 174 THR H H 174 8.600 8.704 -0.104 1 1 1803 . 6 1 1 A 174 174 THR HA H 174 4.890 4.889 0.001 1 1 1808 . 6 1 1 A 174 174 THR C C 174 172.300 173.715 -1.415 1 1 1809 . 6 1 1 A 174 174 THR CA C 174 62.000 61.802 0.198 1 1 1810 . 6 1 1 A 174 174 THR CB C 174 71.400 70.419 0.981 1 1 1812 . 6 1 1 A 174 174 THR N N 174 118.800 116.501 2.299 1 1 1813 . 6 1 1 A 175 175 VAL H H 175 9.140 9.118 0.022 1 1 1814 . 6 1 1 A 175 175 VAL HA H 175 4.150 4.375 -0.225 1 1 1822 . 6 1 1 A 175 175 VAL C C 175 172.500 174.768 -2.268 1 1 1823 . 6 1 1 A 175 175 VAL CA C 175 60.400 61.294 -0.894 1 1 1824 . 6 1 1 A 175 175 VAL CB C 175 33.800 32.878 0.922 1 1 1827 . 6 1 1 A 175 175 VAL N N 175 124.600 126.791 -2.191 1 1 1828 . 6 1 1 A 176 176 HIS H H 176 8.470 8.881 -0.411 1 1 1829 . 6 1 1 A 176 176 HIS HA H 176 5.170 4.795 0.375 1 1 1834 . 6 1 1 A 176 176 HIS C C 176 173.300 174.702 -1.402 1 1 1835 . 6 1 1 A 176 176 HIS CA C 176 53.000 55.419 -2.419 1 1 1836 . 6 1 1 A 176 176 HIS CB C 176 28.700 30.885 -2.185 1 1 1839 . 6 1 1 A 176 176 HIS N N 176 123.100 125.873 -2.773 1 1 1840 . 6 1 1 A 177 177 PHE H H 177 9.650 9.561 0.089 1 1 1841 . 6 1 1 A 177 177 PHE HA H 177 5.160 5.133 0.027 1 1 1845 . 6 1 1 A 177 177 PHE C C 177 176.600 174.796 1.804 1 1 1846 . 6 1 1 A 177 177 PHE CA C 177 57.500 56.193 1.307 1 1 1847 . 6 1 1 A 177 177 PHE CB C 177 39.600 40.950 -1.350 1 1 1851 . 6 1 1 A 177 177 PHE N N 177 123.700 120.892 2.808 1 1 1852 . 6 1 1 A 178 178 LYS H H 178 8.860 8.635 0.225 1 1 1853 . 6 1 1 A 178 178 LYS HA H 178 5.600 5.272 0.328 1 1 1862 . 6 1 1 A 178 178 LYS C C 178 174.700 175.588 -0.888 1 1 1863 . 6 1 1 A 178 178 LYS CA C 178 54.200 54.822 -0.622 1 1 1864 . 6 1 1 A 178 178 LYS CB C 178 37.000 36.374 0.626 1 1 1868 . 6 1 1 A 178 178 LYS N N 178 124.000 122.459 1.541 1 1 1869 . 6 1 1 A 179 179 GLY H H 179 7.970 8.504 -0.534 1 1 1870 . 6 1 1 A 179 179 GLY HA2 H 179 4.010 4.303 -0.293 1 1 1871 . 6 1 1 A 179 179 GLY HA3 H 179 5.040 4.455 0.585 1 1 1872 . 6 1 1 A 179 179 GLY C C 179 172.900 171.276 1.624 1 1 1873 . 6 1 1 A 179 179 GLY CA C 179 46.600 44.995 1.605 1 1 1874 . 6 1 1 A 179 179 GLY N N 179 110.200 108.780 1.420 1 1 1875 . 6 1 1 A 180 180 GLU H H 180 8.470 8.284 0.186 1 1 1876 . 6 1 1 A 180 180 GLU HA H 180 4.660 4.813 -0.153 1 1 1879 . 6 1 1 A 180 180 GLU C C 180 173.100 173.644 -0.544 1 1 1880 . 6 1 1 A 180 180 GLU CA C 180 55.600 55.571 0.029 1 1 1881 . 6 1 1 A 180 180 GLU CB C 180 34.200 32.888 1.312 1 1 1883 . 6 1 1 A 180 180 GLU N N 180 117.000 119.061 -2.061 1 1 1884 . 6 1 1 A 181 181 VAL H H 181 8.580 8.223 0.357 1 1 1885 . 6 1 1 A 181 181 VAL HA H 181 4.970 5.017 -0.047 1 1 1893 . 6 1 1 A 181 181 VAL C C 181 177.100 175.247 1.853 1 1 1894 . 6 1 1 A 181 181 VAL CA C 181 60.200 60.884 -0.684 1 1 1895 . 6 1 1 A 181 181 VAL CB C 181 31.800 34.676 -2.876 1 1 1898 . 6 1 1 A 181 181 VAL N N 181 124.000 121.598 2.402 1 1 1899 . 6 1 1 A 182 182 VAL H H 182 9.100 9.381 -0.281 1 1 1900 . 6 1 1 A 182 182 VAL HA H 182 4.730 4.720 0.010 1 1 1908 . 6 1 1 A 182 182 VAL C C 182 175.000 175.076 -0.076 1 1 1909 . 6 1 1 A 182 182 VAL CA C 182 59.100 58.783 0.317 1 1 1910 . 6 1 1 A 182 182 VAL CB C 182 35.000 34.874 0.126 1 1 1913 . 6 1 1 A 182 182 VAL N N 182 122.200 121.564 0.636 1 1 1914 . 6 1 1 A 183 183 ASN H H 183 8.960 8.709 0.251 1 1 1915 . 6 1 1 A 183 183 ASN HA H 183 4.870 5.024 -0.154 1 1 1920 . 6 1 1 A 183 183 ASN C C 183 174.300 174.724 -0.424 1 1 1921 . 6 1 1 A 183 183 ASN CA C 183 53.400 51.813 1.587 1 1 1922 . 6 1 1 A 183 183 ASN CB C 183 38.800 38.076 0.724 1 1 1923 . 6 1 1 A 183 183 ASN N N 183 121.300 121.674 -0.374 1 1 1 . 7 1 1 A 3 3 THR H H 3 8.300 8.436 -0.136 1 1 2 . 7 1 1 A 3 3 THR HA H 3 4.410 5.392 -0.982 1 1 7 . 7 1 1 A 3 3 THR C C 3 174.700 173.795 0.905 1 1 8 . 7 1 1 A 3 3 THR CA C 3 61.600 61.075 0.525 1 1 9 . 7 1 1 A 3 3 THR CB C 3 69.900 72.313 -2.413 1 1 11 . 7 1 1 A 3 3 THR N N 3 114.000 115.797 -1.797 1 1 12 . 7 1 1 A 4 4 THR H H 4 8.230 8.757 -0.527 1 1 13 . 7 1 1 A 4 4 THR HA H 4 4.420 5.182 -0.762 1 1 18 . 7 1 1 A 4 4 THR C C 4 174.600 172.331 2.269 1 1 19 . 7 1 1 A 4 4 THR CA C 4 61.600 60.212 1.388 1 1 20 . 7 1 1 A 4 4 THR CB C 4 70.000 71.648 -1.648 1 1 22 . 7 1 1 A 4 4 THR N N 4 116.800 117.660 -0.860 1 1 23 . 7 1 1 A 5 5 VAL H H 5 8.280 8.453 -0.173 1 1 24 . 7 1 1 A 5 5 VAL HA H 5 4.130 4.574 -0.444 1 1 26 . 7 1 1 A 5 5 VAL C C 5 176.100 172.915 3.185 1 1 27 . 7 1 1 A 5 5 VAL CA C 5 62.400 60.620 1.780 1 1 28 . 7 1 1 A 5 5 VAL CB C 5 32.800 34.650 -1.850 1 1 30 . 7 1 1 A 5 5 VAL N N 5 122.500 125.053 -2.553 1 1 31 . 7 1 1 A 6 6 ASN H H 6 8.610 8.828 -0.218 1 1 32 . 7 1 1 A 6 6 ASN HA H 6 4.710 5.355 -0.645 1 1 37 . 7 1 1 A 6 6 ASN C C 6 175.800 175.674 0.126 1 1 38 . 7 1 1 A 6 6 ASN CA C 6 53.400 51.656 1.744 1 1 39 . 7 1 1 A 6 6 ASN CB C 6 38.900 41.922 -3.022 1 1 40 . 7 1 1 A 6 6 ASN N N 6 122.600 124.830 -2.230 1 1 42 . 7 1 1 A 7 7 GLY H H 7 8.450 8.608 -0.158 1 1 43 . 7 1 1 A 7 7 GLY C C 7 174.800 173.566 1.234 1 1 44 . 7 1 1 A 7 7 GLY CA C 7 45.600 45.317 0.283 1 1 45 . 7 1 1 A 7 7 GLY N N 7 109.700 112.575 -2.875 1 1 46 . 7 1 1 A 8 8 GLY H H 8 8.280 7.540 0.740 1 1 47 . 7 1 1 A 8 8 GLY HA2 H 8 3.960 4.036 -0.076 1 1 48 . 7 1 1 A 8 8 GLY HA3 H 8 4.030 4.085 -0.055 1 1 49 . 7 1 1 A 8 8 GLY C C 8 174.200 171.442 2.758 1 1 50 . 7 1 1 A 8 8 GLY CA C 8 45.200 46.132 -0.932 1 1 51 . 7 1 1 A 8 8 GLY N N 8 108.500 106.386 2.114 1 1 52 . 7 1 1 A 9 9 THR H H 9 8.100 8.100 0.000 1 1 53 . 7 1 1 A 9 9 THR HA H 9 4.320 4.791 -0.471 1 1 58 . 7 1 1 A 9 9 THR C C 9 174.500 173.587 0.913 1 1 59 . 7 1 1 A 9 9 THR CA C 9 62.000 60.181 1.819 1 1 60 . 7 1 1 A 9 9 THR CB C 9 69.900 71.395 -1.495 1 1 62 . 7 1 1 A 9 9 THR N N 9 114.300 116.905 -2.605 1 1 63 . 7 1 1 A 10 10 VAL H H 10 8.170 9.077 -0.907 1 1 64 . 7 1 1 A 10 10 VAL HA H 10 4.040 3.820 0.220 1 1 72 . 7 1 1 A 10 10 VAL C C 10 175.600 176.390 -0.790 1 1 73 . 7 1 1 A 10 10 VAL CA C 10 62.200 63.035 -0.835 1 1 74 . 7 1 1 A 10 10 VAL CB C 10 32.800 30.229 2.571 1 1 77 . 7 1 1 A 10 10 VAL N N 10 122.900 128.930 -6.030 1 1 78 . 7 1 1 A 11 11 HIS H H 11 8.420 8.344 0.076 1 1 79 . 7 1 1 A 11 11 HIS HA H 11 4.670 4.330 0.340 1 1 84 . 7 1 1 A 11 11 HIS CA C 11 55.700 58.703 -3.003 1 1 85 . 7 1 1 A 11 11 HIS CB C 11 30.500 30.082 0.418 1 1 88 . 7 1 1 A 11 11 HIS N N 11 123.300 127.074 -3.774 1 1 89 . 7 1 1 A 12 12 PHE H H 12 8.310 7.733 0.577 1 1 90 . 7 1 1 A 12 12 PHE HA H 12 4.620 4.702 -0.082 1 1 94 . 7 1 1 A 12 12 PHE C C 12 175.500 174.922 0.578 1 1 95 . 7 1 1 A 12 12 PHE CA C 12 57.700 57.917 -0.217 1 1 96 . 7 1 1 A 12 12 PHE CB C 12 39.900 39.460 0.440 1 1 100 . 7 1 1 A 12 12 PHE N N 12 122.300 113.320 8.980 1 1 101 . 7 1 1 A 13 13 LYS H H 13 8.450 8.567 -0.117 1 1 102 . 7 1 1 A 13 13 LYS HA H 13 4.230 4.246 -0.016 1 1 107 . 7 1 1 A 13 13 LYS C C 13 176.600 177.261 -0.661 1 1 108 . 7 1 1 A 13 13 LYS CA C 13 56.500 58.035 -1.535 1 1 109 . 7 1 1 A 13 13 LYS CB C 13 32.900 32.865 0.035 1 1 113 . 7 1 1 A 13 13 LYS N N 13 124.300 124.541 -0.241 1 1 114 . 7 1 1 A 14 14 GLY H H 14 7.940 8.131 -0.191 1 1 115 . 7 1 1 A 14 14 GLY HA2 H 14 3.860 3.869 -0.009 1 1 116 . 7 1 1 A 14 14 GLY HA3 H 14 3.920 3.890 0.030 1 1 117 . 7 1 1 A 14 14 GLY C C 14 173.800 173.448 0.352 1 1 118 . 7 1 1 A 14 14 GLY CA C 14 45.200 45.399 -0.199 1 1 119 . 7 1 1 A 14 14 GLY N N 14 109.800 107.311 2.489 1 1 120 . 7 1 1 A 15 15 GLU H H 15 8.220 7.719 0.501 1 1 121 . 7 1 1 A 15 15 GLU HA H 15 4.290 4.725 -0.435 1 1 126 . 7 1 1 A 15 15 GLU C C 15 176.400 176.522 -0.122 1 1 127 . 7 1 1 A 15 15 GLU CA C 15 56.500 55.313 1.187 1 1 128 . 7 1 1 A 15 15 GLU CB C 15 30.500 30.683 -0.183 1 1 130 . 7 1 1 A 15 15 GLU N N 15 120.600 115.638 4.962 1 1 131 . 7 1 1 A 16 16 VAL H H 16 8.300 8.803 -0.503 1 1 132 . 7 1 1 A 16 16 VAL HA H 16 4.110 3.778 0.332 1 1 140 . 7 1 1 A 16 16 VAL C C 16 176.000 175.499 0.501 1 1 141 . 7 1 1 A 16 16 VAL CA C 16 62.300 65.126 -2.826 1 1 142 . 7 1 1 A 16 16 VAL CB C 16 32.900 31.759 1.141 1 1 145 . 7 1 1 A 16 16 VAL N N 16 122.100 118.689 3.411 1 1 146 . 7 1 1 A 17 17 VAL H H 17 8.290 7.902 0.388 1 1 147 . 7 1 1 A 17 17 VAL HA H 17 4.110 3.717 0.393 1 1 149 . 7 1 1 A 17 17 VAL C C 17 175.500 174.460 1.040 1 1 150 . 7 1 1 A 17 17 VAL CA C 17 62.000 63.138 -1.138 1 1 151 . 7 1 1 A 17 17 VAL CB C 17 32.800 29.236 3.564 1 1 153 . 7 1 1 A 17 17 VAL N N 17 124.800 117.766 7.034 1 1 154 . 7 1 1 A 18 18 ASN H H 18 8.470 7.629 0.841 1 1 155 . 7 1 1 A 18 18 ASN HA H 18 4.710 5.227 -0.517 1 1 160 . 7 1 1 A 18 18 ASN C C 18 174.100 173.685 0.415 1 1 161 . 7 1 1 A 18 18 ASN CA C 18 52.800 52.739 0.061 1 1 162 . 7 1 1 A 18 18 ASN CB C 18 39.000 40.187 -1.187 1 1 163 . 7 1 1 A 18 18 ASN N N 18 123.200 117.810 5.390 1 1 165 . 7 1 1 A 19 19 ALA H H 19 8.140 8.703 -0.563 1 1 166 . 7 1 1 A 19 19 ALA HA H 19 4.080 4.548 -0.468 1 1 170 . 7 1 1 A 19 19 ALA C C 19 178.000 177.857 0.143 1 1 171 . 7 1 1 A 19 19 ALA CA C 19 51.700 50.354 1.346 1 1 172 . 7 1 1 A 19 19 ALA CB C 19 20.300 21.728 -1.428 1 1 173 . 7 1 1 A 19 19 ALA N N 19 123.400 127.763 -4.363 1 1 174 . 7 1 1 A 20 20 ALA H H 20 6.480 7.160 -0.680 1 1 175 . 7 1 1 A 20 20 ALA HA H 20 3.710 3.784 -0.074 1 1 179 . 7 1 1 A 20 20 ALA C C 20 176.000 177.268 -1.268 1 1 180 . 7 1 1 A 20 20 ALA CA C 20 54.700 54.795 -0.095 1 1 181 . 7 1 1 A 20 20 ALA CB C 20 21.000 17.937 3.063 1 1 182 . 7 1 1 A 20 20 ALA N N 20 120.900 123.066 -2.166 1 1 183 . 7 1 1 A 21 21 CYS H H 21 6.330 7.675 -1.345 1 1 184 . 7 1 1 A 21 21 CYS HA H 21 4.780 5.108 -0.328 1 1 187 . 7 1 1 A 21 21 CYS C C 21 172.500 173.508 -1.008 1 1 188 . 7 1 1 A 21 21 CYS CA C 21 53.100 54.970 -1.870 1 1 189 . 7 1 1 A 21 21 CYS CB C 21 50.500 46.420 4.080 1 1 190 . 7 1 1 A 21 21 CYS N N 21 107.800 113.566 -5.766 1 1 191 . 7 1 1 A 22 22 ALA H H 22 8.910 8.402 0.508 1 1 192 . 7 1 1 A 22 22 ALA HA H 22 4.770 4.483 0.287 1 1 196 . 7 1 1 A 22 22 ALA C C 22 176.800 176.880 -0.080 1 1 197 . 7 1 1 A 22 22 ALA CA C 22 50.600 51.934 -1.334 1 1 198 . 7 1 1 A 22 22 ALA CB C 22 21.600 19.946 1.654 1 1 199 . 7 1 1 A 22 22 ALA N N 22 123.900 124.342 -0.442 1 1 200 . 7 1 1 A 23 23 VAL H H 23 8.820 7.961 0.859 1 1 201 . 7 1 1 A 23 23 VAL HA H 23 4.100 3.943 0.157 1 1 209 . 7 1 1 A 23 23 VAL C C 23 176.500 174.509 1.991 1 1 210 . 7 1 1 A 23 23 VAL CA C 23 63.700 62.532 1.168 1 1 211 . 7 1 1 A 23 23 VAL CB C 23 31.500 31.138 0.362 1 1 214 . 7 1 1 A 23 23 VAL N N 23 123.600 116.425 7.175 1 1 215 . 7 1 1 A 24 24 ASP H H 24 8.660 8.040 0.620 1 1 216 . 7 1 1 A 24 24 ASP HA H 24 4.310 4.532 -0.222 1 1 219 . 7 1 1 A 24 24 ASP C C 24 177.600 177.951 -0.351 1 1 220 . 7 1 1 A 24 24 ASP CA C 24 56.100 54.764 1.336 1 1 221 . 7 1 1 A 24 24 ASP CB C 24 44.700 42.984 1.716 1 1 222 . 7 1 1 A 24 24 ASP N N 24 128.000 128.449 -0.449 1 1 223 . 7 1 1 A 25 25 ALA H H 25 8.870 9.016 -0.146 1 1 224 . 7 1 1 A 25 25 ALA HA H 25 4.150 3.985 0.165 1 1 228 . 7 1 1 A 25 25 ALA C C 25 180.200 179.785 0.415 1 1 229 . 7 1 1 A 25 25 ALA CA C 25 55.800 55.325 0.475 1 1 230 . 7 1 1 A 25 25 ALA CB C 25 18.700 18.210 0.490 1 1 231 . 7 1 1 A 25 25 ALA N N 25 127.900 127.673 0.227 1 1 232 . 7 1 1 A 26 26 GLY H H 26 8.700 8.925 -0.225 1 1 233 . 7 1 1 A 26 26 GLY HA2 H 26 4.170 4.038 0.132 1 1 234 . 7 1 1 A 26 26 GLY HA3 H 26 3.850 4.043 -0.193 1 1 235 . 7 1 1 A 26 26 GLY C C 26 175.100 174.652 0.448 1 1 236 . 7 1 1 A 26 26 GLY CA C 26 46.200 46.673 -0.473 1 1 237 . 7 1 1 A 26 26 GLY N N 26 105.300 106.053 -0.753 1 1 238 . 7 1 1 A 27 27 SER H H 27 8.300 8.264 0.036 1 1 239 . 7 1 1 A 27 27 SER HA H 27 4.910 4.855 0.055 1 1 242 . 7 1 1 A 27 27 SER C C 27 174.600 176.216 -1.616 1 1 243 . 7 1 1 A 27 27 SER CA C 27 59.300 58.720 0.580 1 1 244 . 7 1 1 A 27 27 SER CB C 27 65.700 64.945 0.755 1 1 245 . 7 1 1 A 27 27 SER N N 27 113.400 111.594 1.806 1 1 246 . 7 1 1 A 28 28 VAL H H 28 7.290 8.175 -0.885 1 1 247 . 7 1 1 A 28 28 VAL HA H 28 4.070 3.882 0.188 1 1 255 . 7 1 1 A 28 28 VAL C C 28 176.300 176.082 0.218 1 1 256 . 7 1 1 A 28 28 VAL CA C 28 64.700 64.887 -0.187 1 1 257 . 7 1 1 A 28 28 VAL CB C 28 32.700 32.053 0.647 1 1 260 . 7 1 1 A 28 28 VAL N N 28 119.000 122.107 -3.107 1 1 261 . 7 1 1 A 29 29 ASP H H 29 7.910 8.202 -0.292 1 1 262 . 7 1 1 A 29 29 ASP HA H 29 5.310 4.962 0.348 1 1 265 . 7 1 1 A 29 29 ASP C C 29 175.000 174.879 0.121 1 1 266 . 7 1 1 A 29 29 ASP CA C 29 54.500 53.001 1.499 1 1 267 . 7 1 1 A 29 29 ASP CB C 29 42.700 40.975 1.725 1 1 268 . 7 1 1 A 29 29 ASP N N 29 123.100 121.294 1.806 1 1 269 . 7 1 1 A 30 30 GLN H H 30 7.680 7.989 -0.309 1 1 270 . 7 1 1 A 30 30 GLN HA H 30 4.840 5.187 -0.347 1 1 275 . 7 1 1 A 30 30 GLN C C 30 173.900 174.786 -0.886 1 1 276 . 7 1 1 A 30 30 GLN CA C 30 55.000 54.651 0.349 1 1 277 . 7 1 1 A 30 30 GLN CB C 30 32.400 30.960 1.440 1 1 279 . 7 1 1 A 30 30 GLN N N 30 119.700 120.080 -0.380 1 1 281 . 7 1 1 A 31 31 THR H H 31 8.960 8.872 0.088 1 1 282 . 7 1 1 A 31 31 THR HA H 31 5.160 4.981 0.179 1 1 287 . 7 1 1 A 31 31 THR C C 31 173.600 173.825 -0.225 1 1 288 . 7 1 1 A 31 31 THR CA C 31 62.000 62.133 -0.133 1 1 289 . 7 1 1 A 31 31 THR CB C 31 70.300 68.913 1.387 1 1 291 . 7 1 1 A 31 31 THR N N 31 118.900 119.074 -0.174 1 1 292 . 7 1 1 A 32 32 VAL H H 32 9.210 8.307 0.903 1 1 293 . 7 1 1 A 32 32 VAL HA H 32 4.070 4.286 -0.216 1 1 301 . 7 1 1 A 32 32 VAL C C 32 174.400 175.305 -0.905 1 1 302 . 7 1 1 A 32 32 VAL CA C 32 61.200 62.586 -1.386 1 1 303 . 7 1 1 A 32 32 VAL CB C 32 33.600 31.110 2.490 1 1 306 . 7 1 1 A 32 32 VAL N N 32 131.300 127.595 3.705 1 1 307 . 7 1 1 A 33 33 GLN H H 33 8.890 8.888 0.002 1 1 308 . 7 1 1 A 33 33 GLN HA H 33 4.760 4.881 -0.121 1 1 315 . 7 1 1 A 33 33 GLN C C 33 175.900 175.838 0.062 1 1 316 . 7 1 1 A 33 33 GLN CA C 33 54.400 55.566 -1.166 1 1 317 . 7 1 1 A 33 33 GLN CB C 33 27.500 28.868 -1.368 1 1 319 . 7 1 1 A 33 33 GLN N N 33 127.200 128.098 -0.898 1 1 321 . 7 1 1 A 34 34 LEU H H 34 9.510 9.255 0.255 1 1 322 . 7 1 1 A 34 34 LEU HA H 34 4.290 4.471 -0.181 1 1 332 . 7 1 1 A 34 34 LEU C C 34 177.900 177.106 0.794 1 1 333 . 7 1 1 A 34 34 LEU CA C 34 56.200 55.120 1.080 1 1 334 . 7 1 1 A 34 34 LEU CB C 34 41.300 42.305 -1.005 1 1 338 . 7 1 1 A 34 34 LEU N N 34 126.800 125.646 1.154 1 1 339 . 7 1 1 A 35 35 GLY H H 35 8.310 8.011 0.299 1 1 340 . 7 1 1 A 35 35 GLY HA2 H 35 3.810 4.155 -0.345 1 1 341 . 7 1 1 A 35 35 GLY HA3 H 35 4.230 4.156 0.074 1 1 342 . 7 1 1 A 35 35 GLY C C 35 171.900 173.479 -1.579 1 1 343 . 7 1 1 A 35 35 GLY CA C 35 44.400 44.696 -0.296 1 1 344 . 7 1 1 A 35 35 GLY N N 35 106.500 106.880 -0.380 1 1 345 . 7 1 1 A 36 36 GLN H H 36 7.990 8.392 -0.402 1 1 346 . 7 1 1 A 36 36 GLN HA H 36 5.310 4.629 0.681 1 1 353 . 7 1 1 A 36 36 GLN C C 36 176.700 174.904 1.796 1 1 354 . 7 1 1 A 36 36 GLN CA C 36 54.500 56.940 -2.440 1 1 355 . 7 1 1 A 36 36 GLN CB C 36 30.100 29.583 0.517 1 1 357 . 7 1 1 A 36 36 GLN N N 36 115.700 119.945 -4.245 1 1 359 . 7 1 1 A 37 37 VAL H H 37 8.910 8.200 0.710 1 1 360 . 7 1 1 A 37 37 VAL HA H 37 4.500 4.675 -0.175 1 1 368 . 7 1 1 A 37 37 VAL C C 37 174.700 174.405 0.295 1 1 369 . 7 1 1 A 37 37 VAL CA C 37 60.200 59.962 0.238 1 1 370 . 7 1 1 A 37 37 VAL CB C 37 34.800 35.622 -0.822 1 1 373 . 7 1 1 A 37 37 VAL N N 37 124.300 121.786 2.514 1 1 374 . 7 1 1 A 38 38 ARG H H 38 8.750 8.865 -0.115 1 1 375 . 7 1 1 A 38 38 ARG HA H 38 4.940 4.371 0.569 1 1 381 . 7 1 1 A 38 38 ARG C C 38 179.500 177.756 1.744 1 1 382 . 7 1 1 A 38 38 ARG CA C 38 55.700 56.316 -0.616 1 1 383 . 7 1 1 A 38 38 ARG CB C 38 30.700 30.590 0.110 1 1 386 . 7 1 1 A 38 38 ARG N N 38 125.400 124.681 0.719 1 1 388 . 7 1 1 A 39 39 THR H H 39 8.820 8.763 0.057 1 1 389 . 7 1 1 A 39 39 THR HA H 39 3.320 3.932 -0.612 1 1 394 . 7 1 1 A 39 39 THR C C 39 178.500 176.089 2.411 1 1 395 . 7 1 1 A 39 39 THR CA C 39 65.700 65.006 0.694 1 1 396 . 7 1 1 A 39 39 THR CB C 39 67.300 68.225 -0.925 1 1 398 . 7 1 1 A 39 39 THR N N 39 116.200 118.339 -2.139 1 1 399 . 7 1 1 A 40 40 ALA H H 40 8.060 8.301 -0.241 1 1 400 . 7 1 1 A 40 40 ALA HA H 40 4.110 4.041 0.069 1 1 404 . 7 1 1 A 40 40 ALA C C 40 178.900 180.270 -1.370 1 1 405 . 7 1 1 A 40 40 ALA CA C 40 54.500 55.127 -0.627 1 1 406 . 7 1 1 A 40 40 ALA CB C 40 18.800 18.108 0.692 1 1 407 . 7 1 1 A 40 40 ALA N N 40 121.200 125.081 -3.881 1 1 408 . 7 1 1 A 41 41 SER H H 41 7.580 8.208 -0.628 1 1 409 . 7 1 1 A 41 41 SER HA H 41 4.460 4.291 0.169 1 1 412 . 7 1 1 A 41 41 SER C C 41 172.900 174.415 -1.515 1 1 413 . 7 1 1 A 41 41 SER CA C 41 59.400 60.181 -0.781 1 1 414 . 7 1 1 A 41 41 SER CB C 41 63.700 62.953 0.747 1 1 415 . 7 1 1 A 41 41 SER N N 41 112.300 112.159 0.141 1 1 416 . 7 1 1 A 42 42 LEU H H 42 7.330 7.647 -0.317 1 1 417 . 7 1 1 A 42 42 LEU HA H 42 4.460 4.476 -0.016 1 1 427 . 7 1 1 A 42 42 LEU C C 42 174.400 175.697 -1.297 1 1 428 . 7 1 1 A 42 42 LEU CA C 42 52.100 54.117 -2.017 1 1 429 . 7 1 1 A 42 42 LEU CB C 42 43.800 42.807 0.993 1 1 433 . 7 1 1 A 42 42 LEU N N 42 124.500 119.446 5.054 1 1 434 . 7 1 1 A 43 43 ALA H H 43 7.520 8.574 -1.054 1 1 435 . 7 1 1 A 43 43 ALA HA H 43 4.550 4.560 -0.010 1 1 439 . 7 1 1 A 43 43 ALA C C 43 176.600 176.096 0.504 1 1 440 . 7 1 1 A 43 43 ALA CA C 43 53.300 51.656 1.644 1 1 441 . 7 1 1 A 43 43 ALA CB C 43 20.000 20.873 -0.873 1 1 442 . 7 1 1 A 43 43 ALA N N 43 118.200 124.562 -6.362 1 1 443 . 7 1 1 A 44 44 GLN H H 44 7.040 7.587 -0.547 1 1 444 . 7 1 1 A 44 44 GLN HA H 44 4.150 4.561 -0.411 1 1 449 . 7 1 1 A 44 44 GLN C C 44 172.800 173.464 -0.664 1 1 450 . 7 1 1 A 44 44 GLN CA C 44 53.400 54.065 -0.665 1 1 451 . 7 1 1 A 44 44 GLN CB C 44 31.600 31.893 -0.293 1 1 453 . 7 1 1 A 44 44 GLN N N 44 111.900 115.045 -3.145 1 1 455 . 7 1 1 A 45 45 GLU H H 45 8.490 8.592 -0.102 1 1 456 . 7 1 1 A 45 45 GLU HA H 45 3.680 3.910 -0.230 1 1 461 . 7 1 1 A 45 45 GLU C C 45 177.500 177.341 0.159 1 1 462 . 7 1 1 A 45 45 GLU CA C 45 57.100 58.113 -1.013 1 1 463 . 7 1 1 A 45 45 GLU CB C 45 28.500 29.294 -0.794 1 1 465 . 7 1 1 A 45 45 GLU N N 45 120.300 122.557 -2.257 1 1 466 . 7 1 1 A 46 46 GLY H H 46 8.520 8.459 0.061 1 1 467 . 7 1 1 A 46 46 GLY HA2 H 46 4.140 3.457 0.683 1 1 468 . 7 1 1 A 46 46 GLY HA3 H 46 3.050 3.857 -0.807 1 1 469 . 7 1 1 A 46 46 GLY C C 46 173.900 174.188 -0.288 1 1 470 . 7 1 1 A 46 46 GLY CA C 46 44.400 44.928 -0.528 1 1 471 . 7 1 1 A 46 46 GLY N N 46 115.100 114.711 0.389 1 1 472 . 7 1 1 A 47 47 ALA H H 47 7.690 7.781 -0.091 1 1 473 . 7 1 1 A 47 47 ALA HA H 47 4.320 4.302 0.018 1 1 477 . 7 1 1 A 47 47 ALA C C 47 176.000 176.349 -0.349 1 1 478 . 7 1 1 A 47 47 ALA CA C 47 52.800 52.220 0.580 1 1 479 . 7 1 1 A 47 47 ALA CB C 47 19.900 20.442 -0.542 1 1 480 . 7 1 1 A 47 47 ALA N N 47 123.600 123.474 0.126 1 1 481 . 7 1 1 A 48 48 THR H H 48 7.960 8.637 -0.677 1 1 482 . 7 1 1 A 48 48 THR HA H 48 5.440 5.244 0.196 1 1 487 . 7 1 1 A 48 48 THR C C 48 175.700 173.422 2.278 1 1 488 . 7 1 1 A 48 48 THR CA C 48 58.500 59.666 -1.166 1 1 489 . 7 1 1 A 48 48 THR CB C 48 73.500 72.209 1.291 1 1 491 . 7 1 1 A 48 48 THR N N 48 107.700 110.969 -3.269 1 1 492 . 7 1 1 A 49 49 SER H H 49 8.240 8.760 -0.520 1 1 493 . 7 1 1 A 49 49 SER HA H 49 4.810 4.708 0.102 1 1 494 . 7 1 1 A 49 49 SER C C 49 174.000 175.964 -1.964 1 1 495 . 7 1 1 A 49 49 SER CA C 49 57.100 57.588 -0.488 1 1 496 . 7 1 1 A 49 49 SER CB C 49 65.800 65.113 0.687 1 1 497 . 7 1 1 A 49 49 SER N N 49 115.400 117.006 -1.606 1 1 498 . 7 1 1 A 50 50 SER H H 50 8.640 8.770 -0.130 1 1 499 . 7 1 1 A 50 50 SER HA H 50 4.340 4.214 0.126 1 1 502 . 7 1 1 A 50 50 SER C C 50 174.200 174.710 -0.510 1 1 503 . 7 1 1 A 50 50 SER CA C 50 59.600 60.877 -1.277 1 1 504 . 7 1 1 A 50 50 SER CB C 50 63.200 63.441 -0.241 1 1 505 . 7 1 1 A 50 50 SER N N 50 114.800 116.576 -1.776 1 1 506 . 7 1 1 A 51 51 ALA H H 51 8.520 8.004 0.516 1 1 507 . 7 1 1 A 51 51 ALA HA H 51 4.640 4.323 0.317 1 1 511 . 7 1 1 A 51 51 ALA C C 51 177.800 175.601 2.199 1 1 512 . 7 1 1 A 51 51 ALA CA C 51 52.000 54.292 -2.292 1 1 513 . 7 1 1 A 51 51 ALA CB C 51 20.100 18.260 1.840 1 1 514 . 7 1 1 A 51 51 ALA N N 51 127.800 123.134 4.666 1 1 515 . 7 1 1 A 52 52 VAL H H 52 9.250 8.974 0.276 1 1 516 . 7 1 1 A 52 52 VAL HA H 52 4.380 4.823 -0.443 1 1 524 . 7 1 1 A 52 52 VAL C C 52 176.100 175.057 1.043 1 1 525 . 7 1 1 A 52 52 VAL CA C 52 61.200 60.965 0.235 1 1 526 . 7 1 1 A 52 52 VAL CB C 52 34.800 35.687 -0.887 1 1 529 . 7 1 1 A 52 52 VAL N N 52 122.200 119.209 2.991 1 1 530 . 7 1 1 A 53 53 GLY H H 53 8.730 9.072 -0.342 1 1 531 . 7 1 1 A 53 53 GLY HA2 H 53 4.890 4.213 0.677 1 1 532 . 7 1 1 A 53 53 GLY HA3 H 53 3.760 4.275 -0.515 1 1 533 . 7 1 1 A 53 53 GLY C C 53 173.700 172.602 1.098 1 1 534 . 7 1 1 A 53 53 GLY CA C 53 45.400 44.908 0.492 1 1 535 . 7 1 1 A 53 53 GLY N N 53 112.400 114.739 -2.339 1 1 536 . 7 1 1 A 54 54 PHE H H 54 8.500 9.189 -0.689 1 1 537 . 7 1 1 A 54 54 PHE HA H 54 4.830 5.716 -0.886 1 1 539 . 7 1 1 A 54 54 PHE C C 54 171.300 173.203 -1.903 1 1 540 . 7 1 1 A 54 54 PHE CA C 54 56.900 55.530 1.370 1 1 541 . 7 1 1 A 54 54 PHE CB C 54 41.600 42.805 -1.205 1 1 545 . 7 1 1 A 54 54 PHE N N 54 118.300 119.112 -0.812 1 1 546 . 7 1 1 A 55 55 ASN H H 55 9.240 8.912 0.328 1 1 547 . 7 1 1 A 55 55 ASN HA H 55 5.640 5.543 0.097 1 1 552 . 7 1 1 A 55 55 ASN C C 55 175.200 174.278 0.922 1 1 553 . 7 1 1 A 55 55 ASN CA C 55 51.800 51.650 0.150 1 1 554 . 7 1 1 A 55 55 ASN CB C 55 43.000 41.569 1.431 1 1 555 . 7 1 1 A 55 55 ASN N N 55 117.100 119.612 -2.512 1 1 557 . 7 1 1 A 56 56 ILE H H 56 8.780 8.761 0.019 1 1 558 . 7 1 1 A 56 56 ILE HA H 56 4.150 4.511 -0.361 1 1 568 . 7 1 1 A 56 56 ILE C C 56 173.700 175.001 -1.301 1 1 569 . 7 1 1 A 56 56 ILE CA C 56 60.800 60.635 0.165 1 1 570 . 7 1 1 A 56 56 ILE CB C 56 40.000 38.599 1.401 1 1 574 . 7 1 1 A 56 56 ILE N N 56 119.900 120.776 -0.876 1 1 575 . 7 1 1 A 57 57 GLN H H 57 8.840 8.798 0.042 1 1 576 . 7 1 1 A 57 57 GLN HA H 57 4.970 4.618 0.352 1 1 581 . 7 1 1 A 57 57 GLN C C 57 173.100 175.282 -2.182 1 1 582 . 7 1 1 A 57 57 GLN CA C 57 54.900 55.562 -0.662 1 1 583 . 7 1 1 A 57 57 GLN CB C 57 31.300 28.962 2.338 1 1 585 . 7 1 1 A 57 57 GLN N N 57 128.700 128.154 0.546 1 1 587 . 7 1 1 A 58 58 LEU H H 58 9.090 8.710 0.380 1 1 588 . 7 1 1 A 58 58 LEU HA H 58 5.010 4.800 0.210 1 1 598 . 7 1 1 A 58 58 LEU C C 58 174.700 175.952 -1.252 1 1 599 . 7 1 1 A 58 58 LEU CA C 58 52.600 54.203 -1.603 1 1 600 . 7 1 1 A 58 58 LEU CB C 58 43.800 43.275 0.525 1 1 604 . 7 1 1 A 58 58 LEU N N 58 126.800 127.555 -0.755 1 1 605 . 7 1 1 A 59 59 ASN H H 59 9.670 8.759 0.911 1 1 606 . 7 1 1 A 59 59 ASN HA H 59 5.130 5.120 0.010 1 1 611 . 7 1 1 A 59 59 ASN C C 59 175.700 173.616 2.084 1 1 612 . 7 1 1 A 59 59 ASN CA C 59 51.200 51.879 -0.679 1 1 613 . 7 1 1 A 59 59 ASN CB C 59 41.500 41.555 -0.055 1 1 614 . 7 1 1 A 59 59 ASN N N 59 119.300 118.457 0.843 1 1 616 . 7 1 1 A 60 60 ASP H H 60 9.440 8.710 0.730 1 1 617 . 7 1 1 A 60 60 ASP HA H 60 4.240 4.016 0.224 1 1 620 . 7 1 1 A 60 60 ASP C C 60 176.000 175.150 0.850 1 1 621 . 7 1 1 A 60 60 ASP CA C 60 55.200 55.302 -0.102 1 1 622 . 7 1 1 A 60 60 ASP CB C 60 39.100 38.928 0.172 1 1 623 . 7 1 1 A 60 60 ASP N N 60 115.200 116.686 -1.486 1 1 624 . 7 1 1 A 61 61 CYS H H 61 8.690 8.430 0.260 1 1 625 . 7 1 1 A 61 61 CYS HA H 61 5.240 5.348 -0.108 1 1 628 . 7 1 1 A 61 61 CYS CA C 61 56.800 54.721 2.079 1 1 629 . 7 1 1 A 61 61 CYS CB C 61 41.800 43.790 -1.990 1 1 630 . 7 1 1 A 61 61 CYS N N 61 114.600 117.300 -2.700 1 1 631 . 7 1 1 A 62 62 ASP H H 62 8.280 8.633 -0.353 1 1 632 . 7 1 1 A 62 62 ASP HA H 62 5.040 4.761 0.279 1 1 635 . 7 1 1 A 62 62 ASP C C 62 178.200 177.524 0.676 1 1 636 . 7 1 1 A 62 62 ASP CA C 62 52.300 54.312 -2.012 1 1 637 . 7 1 1 A 62 62 ASP CB C 62 42.000 42.042 -0.042 1 1 638 . 7 1 1 A 62 62 ASP N N 62 122.300 126.615 -4.315 1 1 639 . 7 1 1 A 63 63 THR H H 63 8.620 8.474 0.146 1 1 640 . 7 1 1 A 63 63 THR HA H 63 4.870 4.466 0.404 1 1 645 . 7 1 1 A 63 63 THR C C 63 176.500 176.355 0.145 1 1 646 . 7 1 1 A 63 63 THR CA C 63 63.100 62.813 0.287 1 1 647 . 7 1 1 A 63 63 THR CB C 63 68.500 69.763 -1.263 1 1 649 . 7 1 1 A 63 63 THR N N 63 115.500 117.190 -1.690 1 1 650 . 7 1 1 A 64 64 ASN H H 64 8.800 8.367 0.433 1 1 651 . 7 1 1 A 64 64 ASN HA H 64 4.580 4.461 0.119 1 1 656 . 7 1 1 A 64 64 ASN C C 64 176.800 177.807 -1.007 1 1 657 . 7 1 1 A 64 64 ASN CA C 64 55.100 56.216 -1.116 1 1 658 . 7 1 1 A 64 64 ASN CB C 64 38.300 38.514 -0.214 1 1 659 . 7 1 1 A 64 64 ASN N N 64 119.100 121.061 -1.961 1 1 661 . 7 1 1 A 65 65 VAL H H 65 7.780 7.771 0.009 1 1 662 . 7 1 1 A 65 65 VAL HA H 65 3.800 3.884 -0.084 1 1 670 . 7 1 1 A 65 65 VAL C C 65 175.900 175.189 0.711 1 1 671 . 7 1 1 A 65 65 VAL CA C 65 64.400 64.995 -0.595 1 1 672 . 7 1 1 A 65 65 VAL CB C 65 32.500 32.186 0.314 1 1 675 . 7 1 1 A 65 65 VAL N N 65 120.800 118.754 2.046 1 1 676 . 7 1 1 A 66 66 ALA H H 66 7.400 7.582 -0.182 1 1 677 . 7 1 1 A 66 66 ALA HA H 66 4.270 4.579 -0.309 1 1 681 . 7 1 1 A 66 66 ALA C C 66 173.800 176.097 -2.297 1 1 682 . 7 1 1 A 66 66 ALA CA C 66 52.400 51.316 1.084 1 1 683 . 7 1 1 A 66 66 ALA CB C 66 23.400 22.832 0.568 1 1 684 . 7 1 1 A 66 66 ALA N N 66 118.100 120.719 -2.619 1 1 685 . 7 1 1 A 67 67 SER H H 67 8.070 8.714 -0.644 1 1 686 . 7 1 1 A 67 67 SER HA H 67 4.720 4.704 0.016 1 1 689 . 7 1 1 A 67 67 SER C C 67 175.100 173.144 1.956 1 1 690 . 7 1 1 A 67 67 SER CA C 67 57.800 58.320 -0.520 1 1 691 . 7 1 1 A 67 67 SER CB C 67 65.200 63.656 1.544 1 1 692 . 7 1 1 A 67 67 SER N N 67 109.700 115.711 -6.011 1 1 693 . 7 1 1 A 68 68 LYS H H 68 8.140 7.640 0.500 1 1 694 . 7 1 1 A 68 68 LYS HA H 68 5.450 5.084 0.366 1 1 699 . 7 1 1 A 68 68 LYS C C 68 174.600 174.752 -0.152 1 1 700 . 7 1 1 A 68 68 LYS CA C 68 54.900 55.089 -0.189 1 1 701 . 7 1 1 A 68 68 LYS CB C 68 38.000 37.253 0.747 1 1 705 . 7 1 1 A 68 68 LYS N N 68 121.300 119.053 2.247 1 1 706 . 7 1 1 A 69 69 ALA H H 69 8.560 8.757 -0.197 1 1 707 . 7 1 1 A 69 69 ALA HA H 69 5.630 5.129 0.501 1 1 711 . 7 1 1 A 69 69 ALA C C 69 175.300 175.575 -0.275 1 1 712 . 7 1 1 A 69 69 ALA CA C 69 50.000 51.314 -1.314 1 1 713 . 7 1 1 A 69 69 ALA CB C 69 24.500 23.918 0.582 1 1 714 . 7 1 1 A 69 69 ALA N N 69 120.400 121.649 -1.249 1 1 715 . 7 1 1 A 70 70 ALA H H 70 8.660 8.711 -0.051 1 1 716 . 7 1 1 A 70 70 ALA HA H 70 4.660 5.020 -0.360 1 1 720 . 7 1 1 A 70 70 ALA C C 70 175.000 175.155 -0.155 1 1 721 . 7 1 1 A 70 70 ALA CA C 70 51.400 51.223 0.177 1 1 722 . 7 1 1 A 70 70 ALA CB C 70 23.800 24.294 -0.494 1 1 723 . 7 1 1 A 70 70 ALA N N 70 121.800 120.401 1.399 1 1 724 . 7 1 1 A 71 71 VAL H H 71 8.730 8.524 0.206 1 1 725 . 7 1 1 A 71 71 VAL HA H 71 5.230 4.736 0.494 1 1 733 . 7 1 1 A 71 71 VAL C C 71 174.200 175.286 -1.086 1 1 734 . 7 1 1 A 71 71 VAL CA C 71 61.200 61.902 -0.702 1 1 735 . 7 1 1 A 71 71 VAL CB C 71 36.100 34.219 1.881 1 1 738 . 7 1 1 A 71 71 VAL N N 71 119.200 118.616 0.584 1 1 739 . 7 1 1 A 72 72 ALA H H 72 8.200 8.868 -0.668 1 1 740 . 7 1 1 A 72 72 ALA HA H 72 4.680 4.711 -0.031 1 1 744 . 7 1 1 A 72 72 ALA C C 72 176.500 177.121 -0.621 1 1 745 . 7 1 1 A 72 72 ALA CA C 72 50.200 51.949 -1.749 1 1 746 . 7 1 1 A 72 72 ALA CB C 72 21.000 20.018 0.982 1 1 747 . 7 1 1 A 72 72 ALA N N 72 127.900 130.870 -2.970 1 1 748 . 7 1 1 A 73 73 PHE H H 73 9.700 9.262 0.438 1 1 749 . 7 1 1 A 73 73 PHE HA H 73 5.270 5.419 -0.149 1 1 753 . 7 1 1 A 73 73 PHE C C 73 174.500 174.586 -0.086 1 1 754 . 7 1 1 A 73 73 PHE CA C 73 57.400 56.437 0.963 1 1 755 . 7 1 1 A 73 73 PHE CB C 73 42.800 42.751 0.049 1 1 759 . 7 1 1 A 73 73 PHE N N 73 121.600 118.697 2.903 1 1 760 . 7 1 1 A 74 74 LEU H H 74 9.180 8.743 0.437 1 1 761 . 7 1 1 A 74 74 LEU HA H 74 4.670 5.176 -0.506 1 1 771 . 7 1 1 A 74 74 LEU C C 74 175.800 175.436 0.364 1 1 772 . 7 1 1 A 74 74 LEU CA C 74 53.600 53.433 0.167 1 1 773 . 7 1 1 A 74 74 LEU CB C 74 45.400 46.140 -0.740 1 1 777 . 7 1 1 A 74 74 LEU N N 74 122.100 122.281 -0.181 1 1 778 . 7 1 1 A 75 75 GLY H H 75 8.460 8.492 -0.032 1 1 779 . 7 1 1 A 75 75 GLY HA2 H 75 3.960 4.176 -0.216 1 1 780 . 7 1 1 A 75 75 GLY HA3 H 75 4.380 4.216 0.164 1 1 781 . 7 1 1 A 75 75 GLY C C 75 171.100 171.835 -0.735 1 1 782 . 7 1 1 A 75 75 GLY CA C 75 44.900 45.641 -0.741 1 1 783 . 7 1 1 A 75 75 GLY N N 75 111.400 109.706 1.694 1 1 784 . 7 1 1 A 76 76 THR H H 76 8.450 8.723 -0.273 1 1 785 . 7 1 1 A 76 76 THR HA H 76 4.230 4.374 -0.144 1 1 790 . 7 1 1 A 76 76 THR C C 76 173.500 174.538 -1.038 1 1 791 . 7 1 1 A 76 76 THR CA C 76 62.600 63.105 -0.505 1 1 792 . 7 1 1 A 76 76 THR CB C 76 69.800 69.241 0.559 1 1 794 . 7 1 1 A 76 76 THR N N 76 118.300 116.094 2.206 1 1 795 . 7 1 1 A 77 77 ALA H H 77 8.740 8.856 -0.116 1 1 796 . 7 1 1 A 77 77 ALA HA H 77 4.860 4.583 0.277 1 1 800 . 7 1 1 A 77 77 ALA C C 77 179.700 178.162 1.538 1 1 801 . 7 1 1 A 77 77 ALA CA C 77 51.700 52.346 -0.646 1 1 802 . 7 1 1 A 77 77 ALA CB C 77 19.600 19.209 0.391 1 1 803 . 7 1 1 A 77 77 ALA N N 77 130.800 128.495 2.305 1 1 804 . 7 1 1 A 78 78 ILE H H 78 9.000 8.759 0.241 1 1 805 . 7 1 1 A 78 78 ILE HA H 78 3.820 4.064 -0.244 1 1 815 . 7 1 1 A 78 78 ILE C C 78 173.900 174.670 -0.770 1 1 816 . 7 1 1 A 78 78 ILE CA C 78 65.500 63.529 1.971 1 1 817 . 7 1 1 A 78 78 ILE CB C 78 39.200 38.732 0.468 1 1 821 . 7 1 1 A 78 78 ILE N N 78 122.600 123.215 -0.615 1 1 822 . 7 1 1 A 79 79 ASP H H 79 7.360 7.828 -0.468 1 1 823 . 7 1 1 A 79 79 ASP HA H 79 4.450 4.840 -0.390 1 1 826 . 7 1 1 A 79 79 ASP C C 79 175.700 175.677 0.023 1 1 827 . 7 1 1 A 79 79 ASP CA C 79 53.900 53.666 0.234 1 1 828 . 7 1 1 A 79 79 ASP CB C 79 41.800 43.654 -1.854 1 1 829 . 7 1 1 A 79 79 ASP N N 79 113.600 120.300 -6.700 1 1 830 . 7 1 1 A 80 80 ALA H H 80 8.510 8.792 -0.282 1 1 831 . 7 1 1 A 80 80 ALA HA H 80 4.100 4.024 0.076 1 1 835 . 7 1 1 A 80 80 ALA C C 80 178.600 178.481 0.119 1 1 836 . 7 1 1 A 80 80 ALA CA C 80 54.200 55.111 -0.911 1 1 837 . 7 1 1 A 80 80 ALA CB C 80 18.600 18.541 0.059 1 1 838 . 7 1 1 A 80 80 ALA N N 80 118.700 125.277 -6.577 1 1 839 . 7 1 1 A 81 81 GLY H H 81 8.440 8.526 -0.086 1 1 840 . 7 1 1 A 81 81 GLY HA2 H 81 3.490 3.883 -0.393 1 1 841 . 7 1 1 A 81 81 GLY HA3 H 81 4.120 3.892 0.228 1 1 842 . 7 1 1 A 81 81 GLY C C 81 174.100 174.379 -0.279 1 1 843 . 7 1 1 A 81 81 GLY CA C 81 44.800 45.691 -0.891 1 1 844 . 7 1 1 A 81 81 GLY N N 81 104.400 105.788 -1.388 1 1 845 . 7 1 1 A 82 82 HIS H H 82 7.830 7.811 0.019 1 1 846 . 7 1 1 A 82 82 HIS HA H 82 4.920 4.968 -0.048 1 1 851 . 7 1 1 A 82 82 HIS C C 82 174.600 175.155 -0.555 1 1 852 . 7 1 1 A 82 82 HIS CA C 82 54.700 54.893 -0.193 1 1 853 . 7 1 1 A 82 82 HIS CB C 82 28.100 29.009 -0.909 1 1 856 . 7 1 1 A 82 82 HIS N N 82 120.400 118.637 1.763 1 1 857 . 7 1 1 A 83 83 THR H H 83 8.220 7.972 0.248 1 1 858 . 7 1 1 A 83 83 THR HA H 83 4.090 4.090 0.000 1 1 863 . 7 1 1 A 83 83 THR C C 83 174.300 174.629 -0.329 1 1 864 . 7 1 1 A 83 83 THR CA C 83 63.600 64.588 -0.988 1 1 865 . 7 1 1 A 83 83 THR CB C 83 68.500 68.598 -0.098 1 1 867 . 7 1 1 A 83 83 THR N N 83 109.800 112.405 -2.605 1 1 868 . 7 1 1 A 84 84 ASN H H 84 7.490 8.214 -0.724 1 1 869 . 7 1 1 A 84 84 ASN HA H 84 4.810 4.768 0.042 1 1 874 . 7 1 1 A 84 84 ASN C C 84 174.100 174.465 -0.365 1 1 875 . 7 1 1 A 84 84 ASN CA C 84 51.100 52.633 -1.533 1 1 876 . 7 1 1 A 84 84 ASN CB C 84 38.100 37.780 0.320 1 1 877 . 7 1 1 A 84 84 ASN N N 84 115.800 117.980 -2.180 1 1 879 . 7 1 1 A 85 85 VAL H H 85 7.300 7.680 -0.380 1 1 880 . 7 1 1 A 85 85 VAL HA H 85 4.090 4.547 -0.457 1 1 888 . 7 1 1 A 85 85 VAL C C 85 173.700 174.730 -1.030 1 1 889 . 7 1 1 A 85 85 VAL CA C 85 61.600 60.425 1.175 1 1 890 . 7 1 1 A 85 85 VAL CB C 85 33.600 35.528 -1.928 1 1 893 . 7 1 1 A 85 85 VAL N N 85 120.200 119.702 0.498 1 1 894 . 7 1 1 A 86 86 LEU H H 86 9.850 8.834 1.016 1 1 895 . 7 1 1 A 86 86 LEU HA H 86 4.220 4.794 -0.574 1 1 905 . 7 1 1 A 86 86 LEU C C 86 176.800 178.164 -1.364 1 1 906 . 7 1 1 A 86 86 LEU CA C 86 55.000 54.727 0.273 1 1 907 . 7 1 1 A 86 86 LEU CB C 86 44.200 43.068 1.132 1 1 911 . 7 1 1 A 86 86 LEU N N 86 130.700 127.906 2.794 1 1 912 . 7 1 1 A 87 87 ALA H H 87 8.670 8.278 0.392 1 1 913 . 7 1 1 A 87 87 ALA HA H 87 4.110 4.544 -0.434 1 1 917 . 7 1 1 A 87 87 ALA C C 87 177.000 177.494 -0.494 1 1 918 . 7 1 1 A 87 87 ALA CA C 87 51.500 51.407 0.093 1 1 919 . 7 1 1 A 87 87 ALA CB C 87 20.000 18.647 1.353 1 1 920 . 7 1 1 A 87 87 ALA N N 87 123.600 126.346 -2.746 1 1 921 . 7 1 1 A 88 88 LEU H H 88 8.590 8.054 0.536 1 1 922 . 7 1 1 A 88 88 LEU HA H 88 4.780 4.386 0.394 1 1 932 . 7 1 1 A 88 88 LEU C C 88 179.400 175.748 3.652 1 1 933 . 7 1 1 A 88 88 LEU CA C 88 53.500 57.005 -3.505 1 1 934 . 7 1 1 A 88 88 LEU CB C 88 41.600 40.745 0.855 1 1 938 . 7 1 1 A 88 88 LEU N N 88 116.800 116.215 0.585 1 1 939 . 7 1 1 A 89 89 GLN H H 89 9.050 7.929 1.121 1 1 940 . 7 1 1 A 89 89 GLN HA H 89 4.340 4.931 -0.591 1 1 945 . 7 1 1 A 89 89 GLN C C 89 177.200 175.354 1.846 1 1 946 . 7 1 1 A 89 89 GLN CA C 89 55.800 54.518 1.282 1 1 947 . 7 1 1 A 89 89 GLN CB C 89 29.900 29.875 0.025 1 1 949 . 7 1 1 A 89 89 GLN N N 89 120.900 117.523 3.377 1 1 951 . 7 1 1 A 90 90 SER H H 90 8.660 9.054 -0.394 1 1 952 . 7 1 1 A 90 90 SER HA H 90 4.520 4.175 0.345 1 1 955 . 7 1 1 A 90 90 SER C C 90 174.100 173.338 0.762 1 1 956 . 7 1 1 A 90 90 SER CA C 90 58.400 60.572 -2.172 1 1 957 . 7 1 1 A 90 90 SER CB C 90 63.800 61.929 1.871 1 1 958 . 7 1 1 A 90 90 SER N N 90 118.600 117.541 1.059 1 1 959 . 7 1 1 A 91 91 SER H H 91 8.360 8.604 -0.244 1 1 960 . 7 1 1 A 91 91 SER HA H 91 4.640 4.583 0.057 1 1 963 . 7 1 1 A 91 91 SER C C 91 175.100 173.873 1.227 1 1 964 . 7 1 1 A 91 91 SER CA C 91 57.700 58.510 -0.810 1 1 965 . 7 1 1 A 91 91 SER CB C 91 64.900 62.767 2.133 1 1 966 . 7 1 1 A 91 91 SER N N 91 117.100 116.333 0.767 1 1 967 . 7 1 1 A 92 92 ALA H H 92 8.720 8.315 0.405 1 1 968 . 7 1 1 A 92 92 ALA HA H 92 4.230 3.874 0.356 1 1 972 . 7 1 1 A 92 92 ALA C C 92 178.400 177.848 0.552 1 1 973 . 7 1 1 A 92 92 ALA CA C 92 54.000 54.917 -0.917 1 1 974 . 7 1 1 A 92 92 ALA CB C 92 18.700 18.005 0.695 1 1 975 . 7 1 1 A 92 92 ALA N N 92 127.600 115.764 11.836 1 1 976 . 7 1 1 A 93 93 ALA H H 93 8.180 8.043 0.137 1 1 977 . 7 1 1 A 93 93 ALA HA H 93 4.340 4.313 0.027 1 1 981 . 7 1 1 A 93 93 ALA C C 93 178.000 177.570 0.430 1 1 982 . 7 1 1 A 93 93 ALA CA C 93 52.700 51.669 1.031 1 1 983 . 7 1 1 A 93 93 ALA CB C 93 19.100 18.496 0.604 1 1 984 . 7 1 1 A 93 93 ALA N N 93 119.800 118.070 1.730 1 1 985 . 7 1 1 A 94 94 GLY H H 94 7.880 7.952 -0.072 1 1 986 . 7 1 1 A 94 94 GLY HA2 H 94 4.370 3.867 0.503 1 1 987 . 7 1 1 A 94 94 GLY HA3 H 94 3.780 3.870 -0.090 1 1 988 . 7 1 1 A 94 94 GLY C C 94 174.400 174.521 -0.121 1 1 989 . 7 1 1 A 94 94 GLY CA C 94 45.200 46.590 -1.390 1 1 990 . 7 1 1 A 94 94 GLY N N 94 107.900 108.102 -0.202 1 1 991 . 7 1 1 A 95 95 SER H H 95 8.510 8.355 0.155 1 1 992 . 7 1 1 A 95 95 SER HA H 95 5.060 4.316 0.744 1 1 995 . 7 1 1 A 95 95 SER C C 95 174.400 174.007 0.393 1 1 996 . 7 1 1 A 95 95 SER CA C 95 58.000 58.991 -0.991 1 1 997 . 7 1 1 A 95 95 SER CB C 95 65.100 62.087 3.013 1 1 998 . 7 1 1 A 95 95 SER N N 95 119.300 110.178 9.122 1 1 999 . 7 1 1 A 96 96 ALA H H 96 8.340 8.335 0.005 1 1 1000 . 7 1 1 A 96 96 ALA HA H 96 3.830 4.132 -0.302 1 1 1004 . 7 1 1 A 96 96 ALA C C 96 176.800 177.703 -0.903 1 1 1005 . 7 1 1 A 96 96 ALA CA C 96 53.200 53.006 0.194 1 1 1006 . 7 1 1 A 96 96 ALA CB C 96 19.700 19.034 0.666 1 1 1007 . 7 1 1 A 96 96 ALA N N 96 126.000 124.794 1.206 1 1 1008 . 7 1 1 A 97 97 THR H H 97 7.150 8.555 -1.405 1 1 1009 . 7 1 1 A 97 97 THR HA H 97 4.760 4.686 0.074 1 1 1014 . 7 1 1 A 97 97 THR C C 97 173.100 174.075 -0.975 1 1 1015 . 7 1 1 A 97 97 THR CA C 97 60.300 60.663 -0.363 1 1 1016 . 7 1 1 A 97 97 THR CB C 97 71.600 70.844 0.756 1 1 1018 . 7 1 1 A 97 97 THR N N 97 109.600 113.029 -3.429 1 1 1019 . 7 1 1 A 98 98 ASN H H 98 8.920 8.798 0.122 1 1 1020 . 7 1 1 A 98 98 ASN HA H 98 4.030 4.308 -0.278 1 1 1025 . 7 1 1 A 98 98 ASN C C 98 173.600 173.594 0.006 1 1 1026 . 7 1 1 A 98 98 ASN CA C 98 53.800 54.312 -0.512 1 1 1027 . 7 1 1 A 98 98 ASN CB C 98 35.500 37.389 -1.889 1 1 1028 . 7 1 1 A 98 98 ASN N N 98 112.300 117.648 -5.348 1 1 1030 . 7 1 1 A 99 99 VAL H H 99 7.170 7.697 -0.527 1 1 1031 . 7 1 1 A 99 99 VAL HA H 99 4.920 4.803 0.117 1 1 1039 . 7 1 1 A 99 99 VAL C C 99 172.400 174.183 -1.783 1 1 1040 . 7 1 1 A 99 99 VAL CA C 99 60.100 59.882 0.218 1 1 1041 . 7 1 1 A 99 99 VAL CB C 99 34.800 35.310 -0.510 1 1 1044 . 7 1 1 A 99 99 VAL N N 99 112.000 117.606 -5.606 1 1 1045 . 7 1 1 A 100 100 GLY H H 100 8.480 8.603 -0.123 1 1 1046 . 7 1 1 A 100 100 GLY HA2 H 100 3.960 4.349 -0.389 1 1 1047 . 7 1 1 A 100 100 GLY HA3 H 100 4.530 4.365 0.165 1 1 1048 . 7 1 1 A 100 100 GLY C C 100 172.600 171.985 0.615 1 1 1049 . 7 1 1 A 100 100 GLY CA C 100 45.000 45.027 -0.027 1 1 1050 . 7 1 1 A 100 100 GLY N N 100 112.100 112.843 -0.743 1 1 1051 . 7 1 1 A 101 101 VAL H H 101 8.030 8.428 -0.398 1 1 1052 . 7 1 1 A 101 101 VAL HA H 101 4.680 4.155 0.525 1 1 1060 . 7 1 1 A 101 101 VAL C C 101 174.500 174.901 -0.401 1 1 1061 . 7 1 1 A 101 101 VAL CA C 101 61.300 62.354 -1.054 1 1 1062 . 7 1 1 A 101 101 VAL CB C 101 34.900 31.797 3.103 1 1 1065 . 7 1 1 A 101 101 VAL N N 101 120.000 121.195 -1.195 1 1 1066 . 7 1 1 A 102 102 GLN H H 102 9.150 8.785 0.365 1 1 1067 . 7 1 1 A 102 102 GLN HA H 102 4.700 4.766 -0.066 1 1 1074 . 7 1 1 A 102 102 GLN C C 102 173.600 174.416 -0.816 1 1 1075 . 7 1 1 A 102 102 GLN CA C 102 54.100 54.782 -0.682 1 1 1076 . 7 1 1 A 102 102 GLN CB C 102 34.200 30.906 3.294 1 1 1078 . 7 1 1 A 102 102 GLN N N 102 124.500 127.082 -2.582 1 1 1080 . 7 1 1 A 103 103 ILE H H 103 9.560 8.542 1.018 1 1 1081 . 7 1 1 A 103 103 ILE HA H 103 4.440 4.819 -0.379 1 1 1091 . 7 1 1 A 103 103 ILE C C 103 174.000 174.803 -0.803 1 1 1092 . 7 1 1 A 103 103 ILE CA C 103 60.800 59.607 1.193 1 1 1093 . 7 1 1 A 103 103 ILE CB C 103 39.600 40.470 -0.870 1 1 1097 . 7 1 1 A 103 103 ILE N N 103 123.600 123.705 -0.105 1 1 1098 . 7 1 1 A 104 104 LEU H H 104 9.380 8.526 0.854 1 1 1099 . 7 1 1 A 104 104 LEU HA H 104 5.320 5.104 0.216 1 1 1109 . 7 1 1 A 104 104 LEU C C 104 177.700 176.669 1.031 1 1 1110 . 7 1 1 A 104 104 LEU CA C 104 52.500 53.525 -1.025 1 1 1111 . 7 1 1 A 104 104 LEU CB C 104 43.900 45.813 -1.913 1 1 1115 . 7 1 1 A 104 104 LEU N N 104 125.000 126.357 -1.357 1 1 1116 . 7 1 1 A 105 105 ASP H H 105 8.200 8.757 -0.557 1 1 1117 . 7 1 1 A 105 105 ASP HA H 105 4.960 4.724 0.236 1 1 1120 . 7 1 1 A 105 105 ASP C C 105 179.000 176.719 2.281 1 1 1121 . 7 1 1 A 105 105 ASP CA C 105 52.000 57.286 -5.286 1 1 1122 . 7 1 1 A 105 105 ASP CB C 105 42.700 40.171 2.529 1 1 1123 . 7 1 1 A 105 105 ASP N N 105 117.900 121.932 -4.032 1 1 1124 . 7 1 1 A 106 106 ARG H H 106 8.680 7.890 0.790 1 1 1125 . 7 1 1 A 106 106 ARG HA H 106 4.040 4.449 -0.409 1 1 1131 . 7 1 1 A 106 106 ARG C C 106 177.000 176.800 0.200 1 1 1132 . 7 1 1 A 106 106 ARG CA C 106 58.300 56.450 1.850 1 1 1133 . 7 1 1 A 106 106 ARG CB C 106 29.300 32.484 -3.184 1 1 1136 . 7 1 1 A 106 106 ARG N N 106 117.500 115.270 2.230 1 1 1138 . 7 1 1 A 107 107 THR H H 107 8.180 8.007 0.173 1 1 1139 . 7 1 1 A 107 107 THR HA H 107 4.380 4.377 0.003 1 1 1144 . 7 1 1 A 107 107 THR C C 107 175.800 175.633 0.167 1 1 1145 . 7 1 1 A 107 107 THR CA C 107 62.100 62.816 -0.716 1 1 1146 . 7 1 1 A 107 107 THR CB C 107 70.200 70.364 -0.164 1 1 1148 . 7 1 1 A 107 107 THR N N 107 111.000 110.185 0.815 1 1 1149 . 7 1 1 A 108 108 GLY H H 108 8.250 7.720 0.530 1 1 1150 . 7 1 1 A 108 108 GLY HA2 H 108 3.460 4.059 -0.599 1 1 1151 . 7 1 1 A 108 108 GLY HA3 H 108 4.310 4.061 0.249 1 1 1152 . 7 1 1 A 108 108 GLY C C 108 172.600 174.658 -2.058 1 1 1153 . 7 1 1 A 108 108 GLY CA C 108 45.000 45.098 -0.098 1 1 1154 . 7 1 1 A 108 108 GLY N N 108 109.900 110.966 -1.066 1 1 1155 . 7 1 1 A 109 109 ALA H H 109 7.380 8.089 -0.709 1 1 1156 . 7 1 1 A 109 109 ALA HA H 109 4.280 4.203 0.077 1 1 1160 . 7 1 1 A 109 109 ALA C C 109 176.300 176.778 -0.478 1 1 1161 . 7 1 1 A 109 109 ALA CA C 109 51.500 52.127 -0.627 1 1 1162 . 7 1 1 A 109 109 ALA CB C 109 19.800 18.716 1.084 1 1 1163 . 7 1 1 A 109 109 ALA N N 109 123.700 123.643 0.057 1 1 1164 . 7 1 1 A 110 110 ALA H H 110 8.240 8.297 -0.057 1 1 1165 . 7 1 1 A 110 110 ALA HA H 110 4.710 4.491 0.219 1 1 1169 . 7 1 1 A 110 110 ALA C C 110 178.500 177.235 1.265 1 1 1170 . 7 1 1 A 110 110 ALA CA C 110 51.500 51.970 -0.470 1 1 1171 . 7 1 1 A 110 110 ALA CB C 110 18.800 18.849 -0.049 1 1 1172 . 7 1 1 A 110 110 ALA N N 110 123.400 125.915 -2.515 1 1 1173 . 7 1 1 A 111 111 LEU H H 111 8.880 8.337 0.543 1 1 1174 . 7 1 1 A 111 111 LEU HA H 111 4.480 4.133 0.347 1 1 1184 . 7 1 1 A 111 111 LEU C C 111 176.900 177.281 -0.381 1 1 1185 . 7 1 1 A 111 111 LEU CA C 111 54.500 55.690 -1.190 1 1 1186 . 7 1 1 A 111 111 LEU CB C 111 42.400 41.752 0.648 1 1 1190 . 7 1 1 A 111 111 LEU N N 111 125.900 124.480 1.420 1 1 1191 . 7 1 1 A 112 112 THR H H 112 7.980 8.534 -0.554 1 1 1192 . 7 1 1 A 112 112 THR HA H 112 3.940 4.409 -0.469 1 1 1197 . 7 1 1 A 112 112 THR C C 112 174.700 174.476 0.224 1 1 1198 . 7 1 1 A 112 112 THR CA C 112 63.600 62.754 0.846 1 1 1199 . 7 1 1 A 112 112 THR CB C 112 69.100 69.624 -0.524 1 1 1201 . 7 1 1 A 112 112 THR N N 112 114.300 118.777 -4.477 1 1 1202 . 7 1 1 A 113 113 LEU H H 113 7.460 8.775 -1.315 1 1 1203 . 7 1 1 A 113 113 LEU HA H 113 4.860 4.881 -0.021 1 1 1213 . 7 1 1 A 113 113 LEU C C 113 177.000 176.193 0.807 1 1 1214 . 7 1 1 A 113 113 LEU CA C 113 54.700 54.656 0.044 1 1 1215 . 7 1 1 A 113 113 LEU CB C 113 42.100 40.531 1.569 1 1 1219 . 7 1 1 A 113 113 LEU N N 113 124.600 126.434 -1.834 1 1 1220 . 7 1 1 A 114 114 ASP H H 114 7.680 8.619 -0.939 1 1 1221 . 7 1 1 A 114 114 ASP HA H 114 4.640 4.854 -0.214 1 1 1224 . 7 1 1 A 114 114 ASP C C 114 178.100 176.558 1.542 1 1 1225 . 7 1 1 A 114 114 ASP CA C 114 53.600 54.204 -0.604 1 1 1226 . 7 1 1 A 114 114 ASP CB C 114 41.400 42.787 -1.387 1 1 1227 . 7 1 1 A 114 114 ASP N N 114 116.100 126.126 -10.026 1 1 1228 . 7 1 1 A 115 115 GLY H H 115 8.730 8.434 0.296 1 1 1229 . 7 1 1 A 115 115 GLY HA2 H 115 3.920 3.944 -0.024 1 1 1230 . 7 1 1 A 115 115 GLY HA3 H 115 3.190 3.953 -0.763 1 1 1231 . 7 1 1 A 115 115 GLY C C 115 172.400 173.954 -1.554 1 1 1232 . 7 1 1 A 115 115 GLY CA C 115 46.500 46.047 0.453 1 1 1233 . 7 1 1 A 115 115 GLY N N 115 110.200 107.545 2.655 1 1 1234 . 7 1 1 A 116 116 ALA H H 116 7.930 7.949 -0.019 1 1 1235 . 7 1 1 A 116 116 ALA HA H 116 4.380 4.596 -0.216 1 1 1239 . 7 1 1 A 116 116 ALA C C 116 176.100 177.151 -1.051 1 1 1240 . 7 1 1 A 116 116 ALA CA C 116 51.300 52.216 -0.916 1 1 1241 . 7 1 1 A 116 116 ALA CB C 116 20.700 21.785 -1.085 1 1 1242 . 7 1 1 A 116 116 ALA N N 116 120.900 120.727 0.173 1 1 1243 . 7 1 1 A 117 117 THR H H 117 7.720 7.836 -0.116 1 1 1244 . 7 1 1 A 117 117 THR HA H 117 4.400 4.297 0.103 1 1 1249 . 7 1 1 A 117 117 THR C C 117 173.700 174.546 -0.846 1 1 1250 . 7 1 1 A 117 117 THR CA C 117 62.000 64.347 -2.347 1 1 1251 . 7 1 1 A 117 117 THR CB C 117 68.400 69.216 -0.816 1 1 1253 . 7 1 1 A 117 117 THR N N 117 118.200 115.420 2.780 1 1 1254 . 7 1 1 A 118 118 PHE H H 118 8.880 8.890 -0.010 1 1 1255 . 7 1 1 A 118 118 PHE HA H 118 4.280 4.789 -0.509 1 1 1256 . 7 1 1 A 118 118 PHE C C 118 176.400 174.923 1.477 1 1 1257 . 7 1 1 A 118 118 PHE CA C 118 59.000 56.576 2.424 1 1 1258 . 7 1 1 A 118 118 PHE CB C 118 40.300 40.712 -0.412 1 1 1259 . 7 1 1 A 118 118 PHE N N 118 126.400 125.903 0.497 1 1 1260 . 7 1 1 A 119 119 SER H H 119 9.240 8.653 0.587 1 1 1261 . 7 1 1 A 119 119 SER HA H 119 4.570 4.744 -0.174 1 1 1264 . 7 1 1 A 119 119 SER C C 119 172.700 173.253 -0.553 1 1 1265 . 7 1 1 A 119 119 SER CA C 119 58.100 55.977 2.123 1 1 1266 . 7 1 1 A 119 119 SER CB C 119 66.400 66.084 0.316 1 1 1267 . 7 1 1 A 119 119 SER N N 119 116.900 113.451 3.449 1 1 1268 . 7 1 1 A 120 120 SER H H 120 9.030 8.218 0.812 1 1 1269 . 7 1 1 A 120 120 SER HA H 120 4.220 3.991 0.229 1 1 1272 . 7 1 1 A 120 120 SER C C 120 175.800 173.890 1.910 1 1 1273 . 7 1 1 A 120 120 SER CA C 120 59.500 58.926 0.574 1 1 1274 . 7 1 1 A 120 120 SER CB C 120 62.800 61.768 1.032 1 1 1275 . 7 1 1 A 120 120 SER N N 120 113.500 115.591 -2.091 1 1 1276 . 7 1 1 A 121 121 GLU H H 121 8.890 8.360 0.530 1 1 1277 . 7 1 1 A 121 121 GLU HA H 121 4.440 4.526 -0.086 1 1 1282 . 7 1 1 A 121 121 GLU C C 121 177.300 176.226 1.074 1 1 1283 . 7 1 1 A 121 121 GLU CA C 121 57.400 57.368 0.032 1 1 1284 . 7 1 1 A 121 121 GLU CB C 121 30.600 30.477 0.123 1 1 1286 . 7 1 1 A 121 121 GLU N N 121 123.700 121.411 2.289 1 1 1287 . 7 1 1 A 122 122 THR H H 122 9.370 8.787 0.583 1 1 1288 . 7 1 1 A 122 122 THR HA H 122 4.530 4.651 -0.121 1 1 1293 . 7 1 1 A 122 122 THR C C 122 173.900 174.739 -0.839 1 1 1294 . 7 1 1 A 122 122 THR CA C 122 62.500 61.914 0.586 1 1 1295 . 7 1 1 A 122 122 THR CB C 122 72.000 70.050 1.950 1 1 1297 . 7 1 1 A 122 122 THR N N 122 122.600 117.916 4.684 1 1 1298 . 7 1 1 A 123 123 THR H H 123 8.930 8.772 0.158 1 1 1299 . 7 1 1 A 123 123 THR HA H 123 4.400 4.459 -0.059 1 1 1304 . 7 1 1 A 123 123 THR C C 123 173.900 174.658 -0.758 1 1 1305 . 7 1 1 A 123 123 THR CA C 123 63.500 64.109 -0.609 1 1 1306 . 7 1 1 A 123 123 THR CB C 123 68.700 68.664 0.036 1 1 1308 . 7 1 1 A 123 123 THR N N 123 124.900 122.114 2.786 1 1 1309 . 7 1 1 A 124 124 LEU H H 124 8.360 8.667 -0.307 1 1 1310 . 7 1 1 A 124 124 LEU HA H 124 4.240 4.453 -0.213 1 1 1320 . 7 1 1 A 124 124 LEU C C 124 176.400 176.256 0.144 1 1 1321 . 7 1 1 A 124 124 LEU CA C 124 54.300 54.891 -0.591 1 1 1322 . 7 1 1 A 124 124 LEU CB C 124 43.300 42.549 0.751 1 1 1326 . 7 1 1 A 124 124 LEU N N 124 127.700 128.434 -0.734 1 1 1327 . 7 1 1 A 125 125 ASN H H 125 8.950 8.924 0.026 1 1 1328 . 7 1 1 A 125 125 ASN HA H 125 4.930 5.361 -0.431 1 1 1333 . 7 1 1 A 125 125 ASN C C 125 175.800 174.107 1.693 1 1 1334 . 7 1 1 A 125 125 ASN CA C 125 51.100 51.169 -0.069 1 1 1335 . 7 1 1 A 125 125 ASN CB C 125 41.800 42.177 -0.377 1 1 1336 . 7 1 1 A 125 125 ASN N N 125 117.400 116.066 1.334 1 1 1338 . 7 1 1 A 126 126 ASN H H 126 8.890 8.740 0.150 1 1 1339 . 7 1 1 A 126 126 ASN HA H 126 4.640 4.826 -0.186 1 1 1344 . 7 1 1 A 126 126 ASN C C 126 177.400 175.595 1.805 1 1 1345 . 7 1 1 A 126 126 ASN CA C 126 54.500 54.539 -0.039 1 1 1346 . 7 1 1 A 126 126 ASN CB C 126 38.200 38.011 0.189 1 1 1347 . 7 1 1 A 126 126 ASN N N 126 120.300 118.480 1.820 1 1 1349 . 7 1 1 A 127 127 GLY H H 127 9.090 8.474 0.616 1 1 1350 . 7 1 1 A 127 127 GLY HA2 H 127 3.650 3.948 -0.298 1 1 1351 . 7 1 1 A 127 127 GLY HA3 H 127 4.400 3.948 0.452 1 1 1352 . 7 1 1 A 127 127 GLY CA C 127 45.600 46.059 -0.459 1 1 1353 . 7 1 1 A 127 127 GLY N N 127 112.300 109.656 2.644 1 1 1354 . 7 1 1 A 128 128 THR H H 128 8.870 8.306 0.564 1 1 1355 . 7 1 1 A 128 128 THR HA H 128 5.270 5.074 0.196 1 1 1360 . 7 1 1 A 128 128 THR C C 128 175.700 173.279 2.421 1 1 1361 . 7 1 1 A 128 128 THR CA C 128 63.500 61.067 2.433 1 1 1362 . 7 1 1 A 128 128 THR CB C 128 69.600 71.558 -1.958 1 1 1364 . 7 1 1 A 128 128 THR N N 128 123.700 116.697 7.003 1 1 1365 . 7 1 1 A 129 129 ASN H H 129 10.060 8.567 1.493 1 1 1366 . 7 1 1 A 129 129 ASN HA H 129 5.070 5.412 -0.342 1 1 1371 . 7 1 1 A 129 129 ASN C C 129 172.700 173.340 -0.640 1 1 1372 . 7 1 1 A 129 129 ASN CA C 129 52.700 52.225 0.475 1 1 1373 . 7 1 1 A 129 129 ASN CB C 129 44.400 42.080 2.320 1 1 1374 . 7 1 1 A 129 129 ASN N N 129 125.700 120.968 4.732 1 1 1376 . 7 1 1 A 130 130 THR H H 130 9.030 8.640 0.390 1 1 1377 . 7 1 1 A 130 130 THR HA H 130 4.790 4.972 -0.182 1 1 1382 . 7 1 1 A 130 130 THR C C 130 172.900 173.316 -0.416 1 1 1383 . 7 1 1 A 130 130 THR CA C 130 61.800 60.964 0.836 1 1 1384 . 7 1 1 A 130 130 THR CB C 130 70.100 72.899 -2.799 1 1 1386 . 7 1 1 A 130 130 THR N N 130 117.800 111.829 5.971 1 1 1387 . 7 1 1 A 131 131 ILE H H 131 9.050 8.332 0.718 1 1 1388 . 7 1 1 A 131 131 ILE HA H 131 4.480 4.386 0.094 1 1 1398 . 7 1 1 A 131 131 ILE CA C 131 58.300 57.084 1.216 1 1 1399 . 7 1 1 A 131 131 ILE CB C 131 39.600 40.614 -1.014 1 1 1403 . 7 1 1 A 131 131 ILE N N 131 128.200 123.510 4.690 1 1 1404 . 7 1 1 A 132 132 PRO HA H 132 4.940 4.644 0.296 1 1 1409 . 7 1 1 A 132 132 PRO C C 132 175.200 175.579 -0.379 1 1 1410 . 7 1 1 A 132 132 PRO CA C 132 62.200 62.327 -0.127 1 1 1411 . 7 1 1 A 132 132 PRO CB C 132 32.900 32.474 0.426 1 1 1414 . 7 1 1 A 133 133 PHE H H 133 8.460 8.388 0.072 1 1 1415 . 7 1 1 A 133 133 PHE HA H 133 4.530 5.371 -0.841 1 1 1418 . 7 1 1 A 133 133 PHE C C 133 175.600 174.464 1.136 1 1 1419 . 7 1 1 A 133 133 PHE CA C 133 57.000 56.361 0.639 1 1 1420 . 7 1 1 A 133 133 PHE CB C 133 45.000 43.067 1.933 1 1 1424 . 7 1 1 A 133 133 PHE N N 133 117.000 122.293 -5.293 1 1 1425 . 7 1 1 A 134 134 GLN H H 134 8.830 8.565 0.265 1 1 1426 . 7 1 1 A 134 134 GLN HA H 134 5.490 5.417 0.073 1 1 1431 . 7 1 1 A 134 134 GLN C C 134 174.500 175.022 -0.522 1 1 1432 . 7 1 1 A 134 134 GLN CA C 134 54.200 54.284 -0.084 1 1 1433 . 7 1 1 A 134 134 GLN CB C 134 35.000 32.609 2.391 1 1 1435 . 7 1 1 A 134 134 GLN N N 134 117.300 119.027 -1.727 1 1 1437 . 7 1 1 A 135 135 ALA H H 135 9.280 9.462 -0.182 1 1 1438 . 7 1 1 A 135 135 ALA HA H 135 5.620 5.493 0.127 1 1 1442 . 7 1 1 A 135 135 ALA C C 135 174.900 175.687 -0.787 1 1 1443 . 7 1 1 A 135 135 ALA CA C 135 50.500 50.070 0.430 1 1 1444 . 7 1 1 A 135 135 ALA CB C 135 25.000 22.512 2.488 1 1 1445 . 7 1 1 A 135 135 ALA N N 135 121.800 123.646 -1.846 1 1 1446 . 7 1 1 A 136 136 ARG H H 136 8.380 8.404 -0.024 1 1 1447 . 7 1 1 A 136 136 ARG HA H 136 4.520 4.859 -0.339 1 1 1453 . 7 1 1 A 136 136 ARG C C 136 173.600 174.447 -0.847 1 1 1454 . 7 1 1 A 136 136 ARG CA C 136 53.900 54.745 -0.845 1 1 1455 . 7 1 1 A 136 136 ARG CB C 136 33.400 33.731 -0.331 1 1 1457 . 7 1 1 A 136 136 ARG N N 136 113.300 116.221 -2.921 1 1 1459 . 7 1 1 A 137 137 TYR H H 137 8.550 8.648 -0.098 1 1 1460 . 7 1 1 A 137 137 TYR HA H 137 5.360 4.910 0.450 1 1 1463 . 7 1 1 A 137 137 TYR C C 137 175.500 175.247 0.253 1 1 1464 . 7 1 1 A 137 137 TYR CA C 137 58.300 59.184 -0.884 1 1 1465 . 7 1 1 A 137 137 TYR CB C 137 39.900 39.413 0.487 1 1 1468 . 7 1 1 A 137 137 TYR N N 137 118.500 121.286 -2.786 1 1 1469 . 7 1 1 A 138 138 PHE H H 138 8.870 9.311 -0.441 1 1 1470 . 7 1 1 A 138 138 PHE HA H 138 4.920 5.323 -0.403 1 1 1474 . 7 1 1 A 138 138 PHE C C 138 173.600 173.652 -0.052 1 1 1475 . 7 1 1 A 138 138 PHE CA C 138 56.400 56.189 0.211 1 1 1476 . 7 1 1 A 138 138 PHE CB C 138 44.100 42.346 1.754 1 1 1480 . 7 1 1 A 138 138 PHE N N 138 122.300 123.556 -1.256 1 1 1481 . 7 1 1 A 139 139 ALA H H 139 8.730 8.589 0.141 1 1 1482 . 7 1 1 A 139 139 ALA HA H 139 5.040 4.647 0.393 1 1 1486 . 7 1 1 A 139 139 ALA C C 139 176.200 178.550 -2.350 1 1 1487 . 7 1 1 A 139 139 ALA CA C 139 51.000 51.331 -0.331 1 1 1488 . 7 1 1 A 139 139 ALA CB C 139 19.700 19.345 0.355 1 1 1489 . 7 1 1 A 139 139 ALA N N 139 131.200 130.449 0.751 1 1 1490 . 7 1 1 A 140 140 THR H H 140 8.230 8.982 -0.752 1 1 1491 . 7 1 1 A 140 140 THR HA H 140 4.260 4.553 -0.293 1 1 1496 . 7 1 1 A 140 140 THR C C 140 173.800 174.019 -0.219 1 1 1497 . 7 1 1 A 140 140 THR CA C 140 60.800 61.592 -0.792 1 1 1498 . 7 1 1 A 140 140 THR CB C 140 67.100 69.216 -2.116 1 1 1500 . 7 1 1 A 140 140 THR N N 140 111.900 112.330 -0.430 1 1 1501 . 7 1 1 A 141 141 GLY H H 141 7.450 7.286 0.164 1 1 1502 . 7 1 1 A 141 141 GLY HA2 H 141 3.620 4.045 -0.425 1 1 1503 . 7 1 1 A 141 141 GLY HA3 H 141 3.710 4.058 -0.348 1 1 1504 . 7 1 1 A 141 141 GLY C C 141 169.500 171.823 -2.323 1 1 1505 . 7 1 1 A 141 141 GLY CA C 141 44.300 45.946 -1.646 1 1 1506 . 7 1 1 A 141 141 GLY N N 141 110.300 109.410 0.890 1 1 1507 . 7 1 1 A 142 142 ALA H H 142 8.280 8.143 0.137 1 1 1508 . 7 1 1 A 142 142 ALA HA H 142 4.260 4.292 -0.032 1 1 1512 . 7 1 1 A 142 142 ALA C C 142 177.200 176.803 0.397 1 1 1513 . 7 1 1 A 142 142 ALA CA C 142 52.100 51.991 0.109 1 1 1514 . 7 1 1 A 142 142 ALA CB C 142 17.200 18.404 -1.204 1 1 1515 . 7 1 1 A 142 142 ALA N N 142 121.800 124.498 -2.698 1 1 1516 . 7 1 1 A 143 143 ALA H H 143 8.520 8.113 0.407 1 1 1517 . 7 1 1 A 143 143 ALA HA H 143 4.670 4.568 0.102 1 1 1521 . 7 1 1 A 143 143 ALA C C 143 178.100 177.766 0.334 1 1 1522 . 7 1 1 A 143 143 ALA CA C 143 52.500 51.986 0.514 1 1 1523 . 7 1 1 A 143 143 ALA CB C 143 21.200 19.530 1.670 1 1 1524 . 7 1 1 A 143 143 ALA N N 143 130.000 125.432 4.568 1 1 1525 . 7 1 1 A 144 144 THR H H 144 7.590 8.174 -0.584 1 1 1526 . 7 1 1 A 144 144 THR HA H 144 4.710 4.908 -0.198 1 1 1531 . 7 1 1 A 144 144 THR CA C 144 58.200 58.757 -0.557 1 1 1532 . 7 1 1 A 144 144 THR CB C 144 68.100 69.644 -1.544 1 1 1534 . 7 1 1 A 144 144 THR N N 144 110.000 112.303 -2.303 1 1 1535 . 7 1 1 A 145 145 PRO HA H 145 4.020 4.590 -0.570 1 1 1542 . 7 1 1 A 145 145 PRO C C 145 176.700 176.532 0.168 1 1 1543 . 7 1 1 A 145 145 PRO CA C 145 62.600 62.818 -0.218 1 1 1544 . 7 1 1 A 145 145 PRO CB C 145 33.000 33.313 -0.313 1 1 1547 . 7 1 1 A 146 146 GLY H H 146 8.850 8.271 0.579 1 1 1548 . 7 1 1 A 146 146 GLY HA2 H 146 3.790 4.157 -0.367 1 1 1549 . 7 1 1 A 146 146 GLY HA3 H 146 4.360 4.163 0.197 1 1 1550 . 7 1 1 A 146 146 GLY C C 146 172.500 172.274 0.226 1 1 1551 . 7 1 1 A 146 146 GLY CA C 146 44.200 45.847 -1.647 1 1 1552 . 7 1 1 A 146 146 GLY N N 146 107.700 109.984 -2.284 1 1 1553 . 7 1 1 A 147 147 ALA H H 147 8.360 8.285 0.075 1 1 1554 . 7 1 1 A 147 147 ALA HA H 147 4.160 4.883 -0.723 1 1 1558 . 7 1 1 A 147 147 ALA C C 147 177.900 175.379 2.521 1 1 1559 . 7 1 1 A 147 147 ALA CA C 147 54.200 51.282 2.918 1 1 1560 . 7 1 1 A 147 147 ALA CB C 147 19.400 23.164 -3.764 1 1 1561 . 7 1 1 A 147 147 ALA N N 147 122.500 122.436 0.064 1 1 1562 . 7 1 1 A 148 148 ALA H H 148 8.660 8.527 0.133 1 1 1563 . 7 1 1 A 148 148 ALA HA H 148 4.940 4.683 0.257 1 1 1567 . 7 1 1 A 148 148 ALA C C 148 173.800 176.050 -2.250 1 1 1568 . 7 1 1 A 148 148 ALA CA C 148 51.200 51.446 -0.246 1 1 1569 . 7 1 1 A 148 148 ALA CB C 148 18.300 18.700 -0.400 1 1 1570 . 7 1 1 A 148 148 ALA N N 148 129.300 121.019 8.281 1 1 1571 . 7 1 1 A 149 149 ASN H H 149 8.820 8.681 0.139 1 1 1572 . 7 1 1 A 149 149 ASN HA H 149 5.640 5.816 -0.176 1 1 1577 . 7 1 1 A 149 149 ASN C C 149 174.400 174.406 -0.006 1 1 1578 . 7 1 1 A 149 149 ASN CA C 149 51.300 52.039 -0.739 1 1 1579 . 7 1 1 A 149 149 ASN CB C 149 40.400 41.992 -1.592 1 1 1580 . 7 1 1 A 149 149 ASN N N 149 121.200 118.827 2.373 1 1 1582 . 7 1 1 A 150 150 ALA H H 150 9.100 9.288 -0.188 1 1 1583 . 7 1 1 A 150 150 ALA HA H 150 4.890 4.946 -0.056 1 1 1587 . 7 1 1 A 150 150 ALA C C 150 174.600 174.744 -0.144 1 1 1588 . 7 1 1 A 150 150 ALA CA C 150 52.200 51.408 0.792 1 1 1589 . 7 1 1 A 150 150 ALA CB C 150 25.100 24.313 0.787 1 1 1590 . 7 1 1 A 150 150 ALA N N 150 122.600 122.137 0.463 1 1 1591 . 7 1 1 A 151 151 ASP H H 151 9.010 8.811 0.199 1 1 1592 . 7 1 1 A 151 151 ASP HA H 151 5.870 5.539 0.331 1 1 1595 . 7 1 1 A 151 151 ASP C C 151 174.100 175.113 -1.013 1 1 1596 . 7 1 1 A 151 151 ASP CA C 151 53.400 53.006 0.394 1 1 1597 . 7 1 1 A 151 151 ASP CB C 151 45.300 44.154 1.146 1 1 1598 . 7 1 1 A 151 151 ASP N N 151 120.000 118.449 1.551 1 1 1599 . 7 1 1 A 152 152 ALA H H 152 8.870 9.243 -0.373 1 1 1600 . 7 1 1 A 152 152 ALA HA H 152 5.160 5.481 -0.321 1 1 1604 . 7 1 1 A 152 152 ALA C C 152 176.400 176.331 0.069 1 1 1605 . 7 1 1 A 152 152 ALA CA C 152 51.200 50.308 0.892 1 1 1606 . 7 1 1 A 152 152 ALA CB C 152 23.400 23.417 -0.017 1 1 1607 . 7 1 1 A 152 152 ALA N N 152 120.700 126.084 -5.384 1 1 1608 . 7 1 1 A 153 153 THR H H 153 8.830 8.459 0.371 1 1 1609 . 7 1 1 A 153 153 THR HA H 153 5.350 5.026 0.324 1 1 1614 . 7 1 1 A 153 153 THR C C 153 173.900 173.660 0.240 1 1 1615 . 7 1 1 A 153 153 THR CA C 153 60.100 59.381 0.719 1 1 1616 . 7 1 1 A 153 153 THR CB C 153 71.900 71.663 0.237 1 1 1618 . 7 1 1 A 153 153 THR N N 153 111.300 109.744 1.556 1 1 1619 . 7 1 1 A 154 154 PHE H H 154 8.460 7.865 0.595 1 1 1620 . 7 1 1 A 154 154 PHE HA H 154 5.760 5.451 0.309 1 1 1621 . 7 1 1 A 154 154 PHE C C 154 174.500 173.913 0.587 1 1 1622 . 7 1 1 A 154 154 PHE CA C 154 55.600 54.665 0.935 1 1 1623 . 7 1 1 A 154 154 PHE CB C 154 42.300 41.690 0.610 1 1 1625 . 7 1 1 A 154 154 PHE N N 154 114.500 118.688 -4.188 1 1 1626 . 7 1 1 A 155 155 LYS H H 155 8.780 8.875 -0.095 1 1 1627 . 7 1 1 A 155 155 LYS HA H 155 4.810 4.776 0.034 1 1 1632 . 7 1 1 A 155 155 LYS C C 155 174.800 175.938 -1.138 1 1 1633 . 7 1 1 A 155 155 LYS CA C 155 54.600 54.724 -0.124 1 1 1634 . 7 1 1 A 155 155 LYS CB C 155 36.800 35.696 1.104 1 1 1638 . 7 1 1 A 155 155 LYS N N 155 120.700 119.554 1.146 1 1 1639 . 7 1 1 A 156 156 VAL H H 156 8.690 8.769 -0.079 1 1 1640 . 7 1 1 A 156 156 VAL HA H 156 4.840 4.115 0.725 1 1 1648 . 7 1 1 A 156 156 VAL C C 156 173.200 174.978 -1.778 1 1 1649 . 7 1 1 A 156 156 VAL CA C 156 60.900 63.440 -2.540 1 1 1650 . 7 1 1 A 156 156 VAL CB C 156 34.100 32.305 1.795 1 1 1653 . 7 1 1 A 156 156 VAL N N 156 120.300 123.939 -3.639 1 1 1654 . 7 1 1 A 157 157 GLN H H 157 9.040 8.684 0.356 1 1 1655 . 7 1 1 A 157 157 GLN HA H 157 5.130 4.985 0.145 1 1 1662 . 7 1 1 A 157 157 GLN C C 157 174.300 174.675 -0.375 1 1 1663 . 7 1 1 A 157 157 GLN CA C 157 53.500 54.264 -0.764 1 1 1664 . 7 1 1 A 157 157 GLN CB C 157 34.500 30.116 4.384 1 1 1666 . 7 1 1 A 157 157 GLN N N 157 126.200 126.893 -0.693 1 1 1668 . 7 1 1 A 158 158 TYR H H 158 9.130 8.307 0.823 1 1 1669 . 7 1 1 A 158 158 TYR HA H 158 5.310 4.660 0.650 1 1 1672 . 7 1 1 A 158 158 TYR C C 158 175.800 175.882 -0.082 1 1 1673 . 7 1 1 A 158 158 TYR CA C 158 56.800 58.541 -1.741 1 1 1674 . 7 1 1 A 158 158 TYR CB C 158 40.600 39.082 1.518 1 1 1677 . 7 1 1 A 158 158 TYR N N 158 126.400 126.032 0.368 1 1 1678 . 7 1 1 A 159 159 GLN H H 159 8.580 8.697 -0.117 1 1 1679 . 7 1 1 A 159 159 GLN HA H 159 4.890 4.771 0.119 1 1 1686 . 7 1 1 A 159 159 GLN C C 159 175.800 175.700 0.100 1 1 1687 . 7 1 1 A 159 159 GLN CA C 159 54.800 54.207 0.593 1 1 1688 . 7 1 1 A 159 159 GLN CB C 159 32.500 30.434 2.066 1 1 1690 . 7 1 1 A 159 159 GLN N N 159 119.700 120.324 -0.624 1 1 1692 . 7 1 1 A 160 160 GLY H H 160 8.740 8.512 0.228 1 1 1693 . 7 1 1 A 160 160 GLY HA2 H 160 4.120 4.129 -0.009 1 1 1694 . 7 1 1 A 160 160 GLY HA3 H 160 4.180 4.148 0.032 1 1 1695 . 7 1 1 A 160 160 GLY C C 160 174.800 174.789 0.011 1 1 1696 . 7 1 1 A 160 160 GLY CA C 160 45.400 45.253 0.147 1 1 1697 . 7 1 1 A 160 160 GLY N N 160 109.800 110.207 -0.407 1 1 1698 . 7 1 1 A 161 161 GLY H H 161 8.560 8.332 0.228 1 1 1699 . 7 1 1 A 161 161 GLY C C 161 175.300 174.857 0.443 1 1 1700 . 7 1 1 A 161 161 GLY CA C 161 45.100 45.665 -0.565 1 1 1701 . 7 1 1 A 161 161 GLY N N 161 109.200 108.888 0.312 1 1 1702 . 7 1 1 A 162 162 GLY H H 162 8.480 8.000 0.480 1 1 1703 . 7 1 1 A 162 162 GLY HA2 H 162 4.040 4.072 -0.032 1 1 1704 . 7 1 1 A 162 162 GLY HA3 H 162 3.910 4.073 -0.163 1 1 1705 . 7 1 1 A 162 162 GLY C C 162 175.400 173.074 2.326 1 1 1706 . 7 1 1 A 162 162 GLY CA C 162 45.800 44.518 1.282 1 1 1707 . 7 1 1 A 162 162 GLY N N 162 108.700 108.296 0.404 1 1 1708 . 7 1 1 A 163 163 GLY H H 163 8.500 8.474 0.026 1 1 1709 . 7 1 1 A 163 163 GLY HA2 H 163 3.960 4.103 -0.143 1 1 1710 . 7 1 1 A 163 163 GLY HA3 H 163 3.980 4.108 -0.128 1 1 1711 . 7 1 1 A 163 163 GLY C C 163 175.400 174.524 0.876 1 1 1712 . 7 1 1 A 163 163 GLY CA C 163 45.700 45.945 -0.245 1 1 1713 . 7 1 1 A 163 163 GLY N N 163 109.000 109.554 -0.554 1 1 1714 . 7 1 1 A 164 164 GLY H H 164 8.290 8.380 -0.090 1 1 1715 . 7 1 1 A 164 164 GLY HA2 H 164 3.890 3.983 -0.093 1 1 1716 . 7 1 1 A 164 164 GLY HA3 H 164 3.980 3.993 -0.013 1 1 1717 . 7 1 1 A 164 164 GLY C C 164 175.100 174.747 0.353 1 1 1718 . 7 1 1 A 164 164 GLY CA C 164 45.700 45.531 0.169 1 1 1719 . 7 1 1 A 164 164 GLY N N 164 109.100 113.884 -4.784 1 1 1720 . 7 1 1 A 165 165 GLY H H 165 8.210 8.481 -0.271 1 1 1721 . 7 1 1 A 165 165 GLY HA2 H 165 3.950 4.084 -0.134 1 1 1722 . 7 1 1 A 165 165 GLY HA3 H 165 3.920 4.086 -0.166 1 1 1723 . 7 1 1 A 165 165 GLY C C 165 173.900 173.352 0.548 1 1 1724 . 7 1 1 A 165 165 GLY CA C 165 45.200 45.038 0.162 1 1 1725 . 7 1 1 A 165 165 GLY N N 165 108.500 112.638 -4.138 1 1 1726 . 7 1 1 A 166 166 ALA H H 166 8.110 7.713 0.397 1 1 1727 . 7 1 1 A 166 166 ALA HA H 166 4.370 4.791 -0.421 1 1 1731 . 7 1 1 A 166 166 ALA C C 166 177.100 175.399 1.701 1 1 1732 . 7 1 1 A 166 166 ALA CA C 166 52.100 51.594 0.506 1 1 1733 . 7 1 1 A 166 166 ALA CB C 166 19.800 21.660 -1.860 1 1 1734 . 7 1 1 A 166 166 ALA N N 166 123.800 120.449 3.351 1 1 1735 . 7 1 1 A 167 167 ALA H H 167 8.350 8.742 -0.392 1 1 1736 . 7 1 1 A 167 167 ALA HA H 167 4.840 5.173 -0.333 1 1 1740 . 7 1 1 A 167 167 ALA C C 167 177.800 175.326 2.474 1 1 1741 . 7 1 1 A 167 167 ALA CA C 167 51.900 51.678 0.222 1 1 1742 . 7 1 1 A 167 167 ALA CB C 167 20.000 23.389 -3.389 1 1 1743 . 7 1 1 A 167 167 ALA N N 167 123.800 122.603 1.197 1 1 1744 . 7 1 1 A 168 168 THR H H 168 8.580 9.011 -0.431 1 1 1745 . 7 1 1 A 168 168 THR HA H 168 4.600 5.007 -0.407 1 1 1750 . 7 1 1 A 168 168 THR C C 168 173.300 173.878 -0.578 1 1 1751 . 7 1 1 A 168 168 THR CA C 168 61.900 61.796 0.104 1 1 1752 . 7 1 1 A 168 168 THR CB C 168 71.300 70.987 0.313 1 1 1754 . 7 1 1 A 168 168 THR N N 168 117.900 114.956 2.944 1 1 1755 . 7 1 1 A 169 169 THR H H 169 8.710 8.757 -0.047 1 1 1756 . 7 1 1 A 169 169 THR HA H 169 5.300 4.625 0.675 1 1 1761 . 7 1 1 A 169 169 THR C C 169 174.300 174.647 -0.347 1 1 1762 . 7 1 1 A 169 169 THR CA C 169 61.700 63.407 -1.707 1 1 1763 . 7 1 1 A 169 169 THR CB C 169 70.000 68.973 1.027 1 1 1765 . 7 1 1 A 169 169 THR N N 169 122.400 123.100 -0.700 1 1 1766 . 7 1 1 A 170 170 VAL H H 170 9.280 9.140 0.140 1 1 1767 . 7 1 1 A 170 170 VAL HA H 170 4.770 4.825 -0.055 1 1 1775 . 7 1 1 A 170 170 VAL C C 170 175.300 174.819 0.481 1 1 1776 . 7 1 1 A 170 170 VAL CA C 170 59.000 59.415 -0.415 1 1 1777 . 7 1 1 A 170 170 VAL CB C 170 35.500 35.711 -0.211 1 1 1780 . 7 1 1 A 170 170 VAL N N 170 120.400 121.260 -0.860 1 1 1781 . 7 1 1 A 171 171 ASN H H 171 8.770 8.837 -0.067 1 1 1782 . 7 1 1 A 171 171 ASN HA H 171 4.470 4.585 -0.115 1 1 1785 . 7 1 1 A 171 171 ASN C C 171 174.900 175.359 -0.459 1 1 1786 . 7 1 1 A 171 171 ASN CA C 171 54.700 54.125 0.575 1 1 1787 . 7 1 1 A 171 171 ASN CB C 171 38.200 38.498 -0.298 1 1 1788 . 7 1 1 A 171 171 ASN N N 171 121.100 122.745 -1.645 1 1 1790 . 7 1 1 A 172 172 GLY H H 172 8.390 8.081 0.309 1 1 1791 . 7 1 1 A 172 172 GLY HA2 H 172 2.980 3.886 -0.906 1 1 1792 . 7 1 1 A 172 172 GLY HA3 H 172 3.970 4.032 -0.062 1 1 1793 . 7 1 1 A 172 172 GLY C C 172 171.500 173.746 -2.246 1 1 1794 . 7 1 1 A 172 172 GLY CA C 172 46.000 45.748 0.252 1 1 1795 . 7 1 1 A 172 172 GLY N N 172 113.000 110.773 2.227 1 1 1796 . 7 1 1 A 173 173 GLY H H 173 5.960 7.045 -1.085 1 1 1797 . 7 1 1 A 173 173 GLY HA2 H 173 3.790 3.934 -0.144 1 1 1798 . 7 1 1 A 173 173 GLY HA3 H 173 4.110 4.051 0.059 1 1 1799 . 7 1 1 A 173 173 GLY C C 173 172.000 171.713 0.287 1 1 1800 . 7 1 1 A 173 173 GLY CA C 173 46.400 45.092 1.308 1 1 1801 . 7 1 1 A 173 173 GLY N N 173 106.500 106.307 0.193 1 1 1802 . 7 1 1 A 174 174 THR H H 174 8.600 8.414 0.186 1 1 1803 . 7 1 1 A 174 174 THR HA H 174 4.890 4.883 0.007 1 1 1808 . 7 1 1 A 174 174 THR C C 174 172.300 173.053 -0.753 1 1 1809 . 7 1 1 A 174 174 THR CA C 174 62.000 60.805 1.195 1 1 1810 . 7 1 1 A 174 174 THR CB C 174 71.400 72.372 -0.972 1 1 1812 . 7 1 1 A 174 174 THR N N 174 118.800 114.996 3.804 1 1 1813 . 7 1 1 A 175 175 VAL H H 175 9.140 9.029 0.111 1 1 1814 . 7 1 1 A 175 175 VAL HA H 175 4.150 4.671 -0.521 1 1 1822 . 7 1 1 A 175 175 VAL C C 175 172.500 174.356 -1.856 1 1 1823 . 7 1 1 A 175 175 VAL CA C 175 60.400 60.804 -0.404 1 1 1824 . 7 1 1 A 175 175 VAL CB C 175 33.800 33.183 0.617 1 1 1827 . 7 1 1 A 175 175 VAL N N 175 124.600 124.483 0.117 1 1 1828 . 7 1 1 A 176 176 HIS H H 176 8.470 8.947 -0.477 1 1 1829 . 7 1 1 A 176 176 HIS HA H 176 5.170 4.810 0.360 1 1 1834 . 7 1 1 A 176 176 HIS C C 176 173.300 174.605 -1.305 1 1 1835 . 7 1 1 A 176 176 HIS CA C 176 53.000 54.795 -1.795 1 1 1836 . 7 1 1 A 176 176 HIS CB C 176 28.700 28.794 -0.094 1 1 1839 . 7 1 1 A 176 176 HIS N N 176 123.100 126.337 -3.237 1 1 1840 . 7 1 1 A 177 177 PHE H H 177 9.650 8.794 0.856 1 1 1841 . 7 1 1 A 177 177 PHE HA H 177 5.160 4.693 0.467 1 1 1845 . 7 1 1 A 177 177 PHE C C 177 176.600 175.965 0.635 1 1 1846 . 7 1 1 A 177 177 PHE CA C 177 57.500 58.767 -1.267 1 1 1847 . 7 1 1 A 177 177 PHE CB C 177 39.600 39.284 0.316 1 1 1851 . 7 1 1 A 177 177 PHE N N 177 123.700 124.450 -0.750 1 1 1852 . 7 1 1 A 178 178 LYS H H 178 8.860 8.673 0.187 1 1 1853 . 7 1 1 A 178 178 LYS HA H 178 5.600 5.351 0.249 1 1 1862 . 7 1 1 A 178 178 LYS C C 178 174.700 175.498 -0.798 1 1 1863 . 7 1 1 A 178 178 LYS CA C 178 54.200 54.841 -0.641 1 1 1864 . 7 1 1 A 178 178 LYS CB C 178 37.000 36.191 0.809 1 1 1868 . 7 1 1 A 178 178 LYS N N 178 124.000 122.730 1.270 1 1 1869 . 7 1 1 A 179 179 GLY H H 179 7.970 8.331 -0.361 1 1 1870 . 7 1 1 A 179 179 GLY HA2 H 179 4.010 4.247 -0.237 1 1 1871 . 7 1 1 A 179 179 GLY HA3 H 179 5.040 4.367 0.673 1 1 1872 . 7 1 1 A 179 179 GLY C C 179 172.900 171.194 1.706 1 1 1873 . 7 1 1 A 179 179 GLY CA C 179 46.600 44.388 2.212 1 1 1874 . 7 1 1 A 179 179 GLY N N 179 110.200 108.407 1.793 1 1 1875 . 7 1 1 A 180 180 GLU H H 180 8.470 8.560 -0.090 1 1 1876 . 7 1 1 A 180 180 GLU HA H 180 4.660 4.854 -0.194 1 1 1879 . 7 1 1 A 180 180 GLU C C 180 173.100 173.763 -0.663 1 1 1880 . 7 1 1 A 180 180 GLU CA C 180 55.600 55.449 0.151 1 1 1881 . 7 1 1 A 180 180 GLU CB C 180 34.200 33.498 0.702 1 1 1883 . 7 1 1 A 180 180 GLU N N 180 117.000 119.755 -2.755 1 1 1884 . 7 1 1 A 181 181 VAL H H 181 8.580 8.333 0.247 1 1 1885 . 7 1 1 A 181 181 VAL HA H 181 4.970 4.949 0.021 1 1 1893 . 7 1 1 A 181 181 VAL C C 181 177.100 175.147 1.953 1 1 1894 . 7 1 1 A 181 181 VAL CA C 181 60.200 60.638 -0.438 1 1 1895 . 7 1 1 A 181 181 VAL CB C 181 31.800 34.639 -2.839 1 1 1898 . 7 1 1 A 181 181 VAL N N 181 124.000 121.701 2.299 1 1 1899 . 7 1 1 A 182 182 VAL H H 182 9.100 9.131 -0.031 1 1 1900 . 7 1 1 A 182 182 VAL HA H 182 4.730 4.786 -0.056 1 1 1908 . 7 1 1 A 182 182 VAL C C 182 175.000 174.999 0.001 1 1 1909 . 7 1 1 A 182 182 VAL CA C 182 59.100 59.659 -0.559 1 1 1910 . 7 1 1 A 182 182 VAL CB C 182 35.000 33.859 1.141 1 1 1913 . 7 1 1 A 182 182 VAL N N 182 122.200 122.419 -0.219 1 1 1914 . 7 1 1 A 183 183 ASN H H 183 8.960 8.736 0.224 1 1 1915 . 7 1 1 A 183 183 ASN HA H 183 4.870 5.010 -0.140 1 1 1920 . 7 1 1 A 183 183 ASN C C 183 174.300 174.704 -0.404 1 1 1921 . 7 1 1 A 183 183 ASN CA C 183 53.400 51.761 1.639 1 1 1922 . 7 1 1 A 183 183 ASN CB C 183 38.800 37.172 1.628 1 1 1923 . 7 1 1 A 183 183 ASN N N 183 121.300 121.925 -0.625 1 1 1 . 8 1 1 A 3 3 THR H H 3 8.300 8.637 -0.337 1 1 2 . 8 1 1 A 3 3 THR HA H 3 4.410 4.621 -0.211 1 1 7 . 8 1 1 A 3 3 THR C C 3 174.700 174.220 0.480 1 1 8 . 8 1 1 A 3 3 THR CA C 3 61.600 61.668 -0.068 1 1 9 . 8 1 1 A 3 3 THR CB C 3 69.900 71.058 -1.158 1 1 11 . 8 1 1 A 3 3 THR N N 3 114.000 112.058 1.942 1 1 12 . 8 1 1 A 4 4 THR H H 4 8.230 8.010 0.220 1 1 13 . 8 1 1 A 4 4 THR HA H 4 4.420 4.277 0.143 1 1 18 . 8 1 1 A 4 4 THR C C 4 174.600 173.705 0.895 1 1 19 . 8 1 1 A 4 4 THR CA C 4 61.600 63.304 -1.704 1 1 20 . 8 1 1 A 4 4 THR CB C 4 70.000 68.595 1.405 1 1 22 . 8 1 1 A 4 4 THR N N 4 116.800 116.939 -0.139 1 1 23 . 8 1 1 A 5 5 VAL H H 5 8.280 8.480 -0.200 1 1 24 . 8 1 1 A 5 5 VAL HA H 5 4.130 4.252 -0.122 1 1 26 . 8 1 1 A 5 5 VAL C C 5 176.100 174.171 1.929 1 1 27 . 8 1 1 A 5 5 VAL CA C 5 62.400 61.373 1.027 1 1 28 . 8 1 1 A 5 5 VAL CB C 5 32.800 30.534 2.266 1 1 30 . 8 1 1 A 5 5 VAL N N 5 122.500 124.952 -2.452 1 1 31 . 8 1 1 A 6 6 ASN H H 6 8.610 8.183 0.427 1 1 32 . 8 1 1 A 6 6 ASN HA H 6 4.710 4.958 -0.248 1 1 37 . 8 1 1 A 6 6 ASN C C 6 175.800 175.254 0.546 1 1 38 . 8 1 1 A 6 6 ASN CA C 6 53.400 53.047 0.353 1 1 39 . 8 1 1 A 6 6 ASN CB C 6 38.900 36.684 2.216 1 1 40 . 8 1 1 A 6 6 ASN N N 6 122.600 127.091 -4.491 1 1 42 . 8 1 1 A 7 7 GLY H H 7 8.450 8.200 0.250 1 1 43 . 8 1 1 A 7 7 GLY C C 7 174.800 174.881 -0.081 1 1 44 . 8 1 1 A 7 7 GLY CA C 7 45.600 46.120 -0.520 1 1 45 . 8 1 1 A 7 7 GLY N N 7 109.700 111.607 -1.907 1 1 46 . 8 1 1 A 8 8 GLY H H 8 8.280 8.238 0.042 1 1 47 . 8 1 1 A 8 8 GLY HA2 H 8 3.960 4.050 -0.090 1 1 48 . 8 1 1 A 8 8 GLY HA3 H 8 4.030 4.105 -0.075 1 1 49 . 8 1 1 A 8 8 GLY C C 8 174.200 173.539 0.661 1 1 50 . 8 1 1 A 8 8 GLY CA C 8 45.200 45.406 -0.206 1 1 51 . 8 1 1 A 8 8 GLY N N 8 108.500 107.923 0.577 1 1 52 . 8 1 1 A 9 9 THR H H 9 8.100 7.934 0.166 1 1 53 . 8 1 1 A 9 9 THR HA H 9 4.320 4.585 -0.265 1 1 58 . 8 1 1 A 9 9 THR C C 9 174.500 173.572 0.928 1 1 59 . 8 1 1 A 9 9 THR CA C 9 62.000 61.131 0.869 1 1 60 . 8 1 1 A 9 9 THR CB C 9 69.900 69.600 0.300 1 1 62 . 8 1 1 A 9 9 THR N N 9 114.300 115.237 -0.937 1 1 63 . 8 1 1 A 10 10 VAL H H 10 8.170 8.636 -0.466 1 1 64 . 8 1 1 A 10 10 VAL HA H 10 4.040 3.853 0.187 1 1 72 . 8 1 1 A 10 10 VAL C C 10 175.600 175.988 -0.388 1 1 73 . 8 1 1 A 10 10 VAL CA C 10 62.200 63.057 -0.857 1 1 74 . 8 1 1 A 10 10 VAL CB C 10 32.800 29.920 2.880 1 1 77 . 8 1 1 A 10 10 VAL N N 10 122.900 128.106 -5.206 1 1 78 . 8 1 1 A 11 11 HIS H H 11 8.420 8.578 -0.158 1 1 79 . 8 1 1 A 11 11 HIS HA H 11 4.670 4.356 0.314 1 1 84 . 8 1 1 A 11 11 HIS CA C 11 55.700 59.361 -3.661 1 1 85 . 8 1 1 A 11 11 HIS CB C 11 30.500 30.171 0.329 1 1 88 . 8 1 1 A 11 11 HIS N N 11 123.300 123.217 0.083 1 1 89 . 8 1 1 A 12 12 PHE H H 12 8.310 8.127 0.183 1 1 90 . 8 1 1 A 12 12 PHE HA H 12 4.620 4.400 0.220 1 1 94 . 8 1 1 A 12 12 PHE C C 12 175.500 174.971 0.529 1 1 95 . 8 1 1 A 12 12 PHE CA C 12 57.700 59.224 -1.524 1 1 96 . 8 1 1 A 12 12 PHE CB C 12 39.900 38.211 1.689 1 1 100 . 8 1 1 A 12 12 PHE N N 12 122.300 117.767 4.533 1 1 101 . 8 1 1 A 13 13 LYS H H 13 8.450 8.443 0.007 1 1 102 . 8 1 1 A 13 13 LYS HA H 13 4.230 3.986 0.244 1 1 107 . 8 1 1 A 13 13 LYS C C 13 176.600 176.166 0.434 1 1 108 . 8 1 1 A 13 13 LYS CA C 13 56.500 56.733 -0.233 1 1 109 . 8 1 1 A 13 13 LYS CB C 13 32.900 31.209 1.691 1 1 113 . 8 1 1 A 13 13 LYS N N 13 124.300 115.013 9.287 1 1 114 . 8 1 1 A 14 14 GLY H H 14 7.940 8.452 -0.512 1 1 115 . 8 1 1 A 14 14 GLY HA2 H 14 3.860 3.828 0.032 1 1 116 . 8 1 1 A 14 14 GLY HA3 H 14 3.920 3.868 0.052 1 1 117 . 8 1 1 A 14 14 GLY C C 14 173.800 174.367 -0.567 1 1 118 . 8 1 1 A 14 14 GLY CA C 14 45.200 47.163 -1.963 1 1 119 . 8 1 1 A 14 14 GLY N N 14 109.800 111.363 -1.563 1 1 120 . 8 1 1 A 15 15 GLU H H 15 8.220 8.761 -0.541 1 1 121 . 8 1 1 A 15 15 GLU HA H 15 4.290 4.457 -0.167 1 1 126 . 8 1 1 A 15 15 GLU C C 15 176.400 175.991 0.409 1 1 127 . 8 1 1 A 15 15 GLU CA C 15 56.500 56.439 0.061 1 1 128 . 8 1 1 A 15 15 GLU CB C 15 30.500 30.217 0.283 1 1 130 . 8 1 1 A 15 15 GLU N N 15 120.600 125.158 -4.558 1 1 131 . 8 1 1 A 16 16 VAL H H 16 8.300 8.914 -0.614 1 1 132 . 8 1 1 A 16 16 VAL HA H 16 4.110 3.989 0.121 1 1 140 . 8 1 1 A 16 16 VAL C C 16 176.000 175.190 0.810 1 1 141 . 8 1 1 A 16 16 VAL CA C 16 62.300 64.082 -1.782 1 1 142 . 8 1 1 A 16 16 VAL CB C 16 32.900 31.644 1.256 1 1 145 . 8 1 1 A 16 16 VAL N N 16 122.100 120.825 1.275 1 1 146 . 8 1 1 A 17 17 VAL H H 17 8.290 8.781 -0.491 1 1 147 . 8 1 1 A 17 17 VAL HA H 17 4.110 3.703 0.407 1 1 149 . 8 1 1 A 17 17 VAL C C 17 175.500 174.376 1.124 1 1 150 . 8 1 1 A 17 17 VAL CA C 17 62.000 63.359 -1.359 1 1 151 . 8 1 1 A 17 17 VAL CB C 17 32.800 29.782 3.018 1 1 153 . 8 1 1 A 17 17 VAL N N 17 124.800 119.929 4.871 1 1 154 . 8 1 1 A 18 18 ASN H H 18 8.470 7.579 0.891 1 1 155 . 8 1 1 A 18 18 ASN HA H 18 4.710 5.165 -0.455 1 1 160 . 8 1 1 A 18 18 ASN C C 18 174.100 173.295 0.805 1 1 161 . 8 1 1 A 18 18 ASN CA C 18 52.800 52.246 0.554 1 1 162 . 8 1 1 A 18 18 ASN CB C 18 39.000 40.083 -1.083 1 1 163 . 8 1 1 A 18 18 ASN N N 18 123.200 118.481 4.719 1 1 165 . 8 1 1 A 19 19 ALA H H 19 8.140 8.590 -0.450 1 1 166 . 8 1 1 A 19 19 ALA HA H 19 4.080 4.712 -0.632 1 1 170 . 8 1 1 A 19 19 ALA C C 19 178.000 178.054 -0.054 1 1 171 . 8 1 1 A 19 19 ALA CA C 19 51.700 50.275 1.425 1 1 172 . 8 1 1 A 19 19 ALA CB C 19 20.300 20.471 -0.171 1 1 173 . 8 1 1 A 19 19 ALA N N 19 123.400 129.065 -5.665 1 1 174 . 8 1 1 A 20 20 ALA H H 20 6.480 8.039 -1.559 1 1 175 . 8 1 1 A 20 20 ALA HA H 20 3.710 3.694 0.016 1 1 179 . 8 1 1 A 20 20 ALA C C 20 176.000 177.394 -1.394 1 1 180 . 8 1 1 A 20 20 ALA CA C 20 54.700 55.414 -0.714 1 1 181 . 8 1 1 A 20 20 ALA CB C 20 21.000 17.991 3.009 1 1 182 . 8 1 1 A 20 20 ALA N N 20 120.900 125.286 -4.386 1 1 183 . 8 1 1 A 21 21 CYS H H 21 6.330 7.231 -0.901 1 1 184 . 8 1 1 A 21 21 CYS HA H 21 4.780 4.788 -0.008 1 1 187 . 8 1 1 A 21 21 CYS C C 21 172.500 173.809 -1.309 1 1 188 . 8 1 1 A 21 21 CYS CA C 21 53.100 55.075 -1.975 1 1 189 . 8 1 1 A 21 21 CYS CB C 21 50.500 44.029 6.471 1 1 190 . 8 1 1 A 21 21 CYS N N 21 107.800 114.680 -6.880 1 1 191 . 8 1 1 A 22 22 ALA H H 22 8.910 8.483 0.427 1 1 192 . 8 1 1 A 22 22 ALA HA H 22 4.770 4.301 0.469 1 1 196 . 8 1 1 A 22 22 ALA C C 22 176.800 177.284 -0.484 1 1 197 . 8 1 1 A 22 22 ALA CA C 22 50.600 52.180 -1.580 1 1 198 . 8 1 1 A 22 22 ALA CB C 22 21.600 19.490 2.110 1 1 199 . 8 1 1 A 22 22 ALA N N 22 123.900 126.878 -2.978 1 1 200 . 8 1 1 A 23 23 VAL H H 23 8.820 8.412 0.408 1 1 201 . 8 1 1 A 23 23 VAL HA H 23 4.100 4.679 -0.579 1 1 209 . 8 1 1 A 23 23 VAL C C 23 176.500 174.642 1.858 1 1 210 . 8 1 1 A 23 23 VAL CA C 23 63.700 60.579 3.121 1 1 211 . 8 1 1 A 23 23 VAL CB C 23 31.500 35.181 -3.681 1 1 214 . 8 1 1 A 23 23 VAL N N 23 123.600 119.310 4.290 1 1 215 . 8 1 1 A 24 24 ASP H H 24 8.660 8.425 0.235 1 1 216 . 8 1 1 A 24 24 ASP HA H 24 4.310 4.660 -0.350 1 1 219 . 8 1 1 A 24 24 ASP C C 24 177.600 177.368 0.232 1 1 220 . 8 1 1 A 24 24 ASP CA C 24 56.100 54.417 1.683 1 1 221 . 8 1 1 A 24 24 ASP CB C 24 44.700 42.548 2.152 1 1 222 . 8 1 1 A 24 24 ASP N N 24 128.000 127.456 0.544 1 1 223 . 8 1 1 A 25 25 ALA H H 25 8.870 8.908 -0.038 1 1 224 . 8 1 1 A 25 25 ALA HA H 25 4.150 4.050 0.100 1 1 228 . 8 1 1 A 25 25 ALA C C 25 180.200 178.995 1.205 1 1 229 . 8 1 1 A 25 25 ALA CA C 25 55.800 55.204 0.596 1 1 230 . 8 1 1 A 25 25 ALA CB C 25 18.700 18.419 0.281 1 1 231 . 8 1 1 A 25 25 ALA N N 25 127.900 126.959 0.941 1 1 232 . 8 1 1 A 26 26 GLY H H 26 8.700 8.690 0.010 1 1 233 . 8 1 1 A 26 26 GLY HA2 H 26 4.170 3.998 0.172 1 1 234 . 8 1 1 A 26 26 GLY HA3 H 26 3.850 4.000 -0.150 1 1 235 . 8 1 1 A 26 26 GLY C C 26 175.100 174.670 0.430 1 1 236 . 8 1 1 A 26 26 GLY CA C 26 46.200 45.895 0.305 1 1 237 . 8 1 1 A 26 26 GLY N N 26 105.300 105.491 -0.191 1 1 238 . 8 1 1 A 27 27 SER H H 27 8.300 8.101 0.199 1 1 239 . 8 1 1 A 27 27 SER HA H 27 4.910 4.843 0.067 1 1 242 . 8 1 1 A 27 27 SER C C 27 174.600 176.147 -1.547 1 1 243 . 8 1 1 A 27 27 SER CA C 27 59.300 59.346 -0.046 1 1 244 . 8 1 1 A 27 27 SER CB C 27 65.700 65.574 0.126 1 1 245 . 8 1 1 A 27 27 SER N N 27 113.400 115.660 -2.260 1 1 246 . 8 1 1 A 28 28 VAL H H 28 7.290 8.320 -1.030 1 1 247 . 8 1 1 A 28 28 VAL HA H 28 4.070 3.970 0.100 1 1 255 . 8 1 1 A 28 28 VAL C C 28 176.300 176.042 0.258 1 1 256 . 8 1 1 A 28 28 VAL CA C 28 64.700 64.850 -0.150 1 1 257 . 8 1 1 A 28 28 VAL CB C 28 32.700 31.872 0.828 1 1 260 . 8 1 1 A 28 28 VAL N N 28 119.000 120.821 -1.821 1 1 261 . 8 1 1 A 29 29 ASP H H 29 7.910 7.563 0.347 1 1 262 . 8 1 1 A 29 29 ASP HA H 29 5.310 5.000 0.310 1 1 265 . 8 1 1 A 29 29 ASP C C 29 175.000 174.843 0.157 1 1 266 . 8 1 1 A 29 29 ASP CA C 29 54.500 52.917 1.583 1 1 267 . 8 1 1 A 29 29 ASP CB C 29 42.700 40.949 1.751 1 1 268 . 8 1 1 A 29 29 ASP N N 29 123.100 121.601 1.499 1 1 269 . 8 1 1 A 30 30 GLN H H 30 7.680 7.882 -0.202 1 1 270 . 8 1 1 A 30 30 GLN HA H 30 4.840 5.022 -0.182 1 1 275 . 8 1 1 A 30 30 GLN C C 30 173.900 174.674 -0.774 1 1 276 . 8 1 1 A 30 30 GLN CA C 30 55.000 54.959 0.041 1 1 277 . 8 1 1 A 30 30 GLN CB C 30 32.400 30.242 2.158 1 1 279 . 8 1 1 A 30 30 GLN N N 30 119.700 120.115 -0.415 1 1 281 . 8 1 1 A 31 31 THR H H 31 8.960 8.826 0.134 1 1 282 . 8 1 1 A 31 31 THR HA H 31 5.160 5.159 0.001 1 1 287 . 8 1 1 A 31 31 THR C C 31 173.600 173.762 -0.162 1 1 288 . 8 1 1 A 31 31 THR CA C 31 62.000 62.068 -0.068 1 1 289 . 8 1 1 A 31 31 THR CB C 31 70.300 68.913 1.387 1 1 291 . 8 1 1 A 31 31 THR N N 31 118.900 120.524 -1.624 1 1 292 . 8 1 1 A 32 32 VAL H H 32 9.210 8.667 0.543 1 1 293 . 8 1 1 A 32 32 VAL HA H 32 4.070 4.443 -0.373 1 1 301 . 8 1 1 A 32 32 VAL C C 32 174.400 175.340 -0.940 1 1 302 . 8 1 1 A 32 32 VAL CA C 32 61.200 62.101 -0.901 1 1 303 . 8 1 1 A 32 32 VAL CB C 32 33.600 32.256 1.344 1 1 306 . 8 1 1 A 32 32 VAL N N 32 131.300 127.792 3.508 1 1 307 . 8 1 1 A 33 33 GLN H H 33 8.890 8.822 0.068 1 1 308 . 8 1 1 A 33 33 GLN HA H 33 4.760 4.883 -0.123 1 1 315 . 8 1 1 A 33 33 GLN C C 33 175.900 175.755 0.145 1 1 316 . 8 1 1 A 33 33 GLN CA C 33 54.400 55.213 -0.813 1 1 317 . 8 1 1 A 33 33 GLN CB C 33 27.500 28.843 -1.343 1 1 319 . 8 1 1 A 33 33 GLN N N 33 127.200 128.042 -0.842 1 1 321 . 8 1 1 A 34 34 LEU H H 34 9.510 9.238 0.272 1 1 322 . 8 1 1 A 34 34 LEU HA H 34 4.290 4.267 0.023 1 1 332 . 8 1 1 A 34 34 LEU C C 34 177.900 177.056 0.844 1 1 333 . 8 1 1 A 34 34 LEU CA C 34 56.200 55.767 0.433 1 1 334 . 8 1 1 A 34 34 LEU CB C 34 41.300 42.470 -1.170 1 1 338 . 8 1 1 A 34 34 LEU N N 34 126.800 126.541 0.259 1 1 339 . 8 1 1 A 35 35 GLY H H 35 8.310 7.915 0.395 1 1 340 . 8 1 1 A 35 35 GLY HA2 H 35 3.810 4.175 -0.365 1 1 341 . 8 1 1 A 35 35 GLY HA3 H 35 4.230 4.175 0.055 1 1 342 . 8 1 1 A 35 35 GLY C C 35 171.900 173.294 -1.394 1 1 343 . 8 1 1 A 35 35 GLY CA C 35 44.400 44.587 -0.187 1 1 344 . 8 1 1 A 35 35 GLY N N 35 106.500 106.168 0.332 1 1 345 . 8 1 1 A 36 36 GLN H H 36 7.990 8.365 -0.375 1 1 346 . 8 1 1 A 36 36 GLN HA H 36 5.310 4.665 0.645 1 1 353 . 8 1 1 A 36 36 GLN C C 36 176.700 174.944 1.756 1 1 354 . 8 1 1 A 36 36 GLN CA C 36 54.500 56.847 -2.347 1 1 355 . 8 1 1 A 36 36 GLN CB C 36 30.100 29.659 0.441 1 1 357 . 8 1 1 A 36 36 GLN N N 36 115.700 119.901 -4.201 1 1 359 . 8 1 1 A 37 37 VAL H H 37 8.910 8.399 0.511 1 1 360 . 8 1 1 A 37 37 VAL HA H 37 4.500 4.699 -0.199 1 1 368 . 8 1 1 A 37 37 VAL C C 37 174.700 174.467 0.233 1 1 369 . 8 1 1 A 37 37 VAL CA C 37 60.200 60.134 0.066 1 1 370 . 8 1 1 A 37 37 VAL CB C 37 34.800 35.650 -0.850 1 1 373 . 8 1 1 A 37 37 VAL N N 37 124.300 120.829 3.471 1 1 374 . 8 1 1 A 38 38 ARG H H 38 8.750 8.771 -0.021 1 1 375 . 8 1 1 A 38 38 ARG HA H 38 4.940 4.465 0.475 1 1 381 . 8 1 1 A 38 38 ARG C C 38 179.500 177.869 1.631 1 1 382 . 8 1 1 A 38 38 ARG CA C 38 55.700 56.472 -0.772 1 1 383 . 8 1 1 A 38 38 ARG CB C 38 30.700 30.392 0.308 1 1 386 . 8 1 1 A 38 38 ARG N N 38 125.400 124.817 0.583 1 1 388 . 8 1 1 A 39 39 THR H H 39 8.820 9.087 -0.267 1 1 389 . 8 1 1 A 39 39 THR HA H 39 3.320 3.925 -0.605 1 1 394 . 8 1 1 A 39 39 THR C C 39 178.500 176.094 2.406 1 1 395 . 8 1 1 A 39 39 THR CA C 39 65.700 64.962 0.738 1 1 396 . 8 1 1 A 39 39 THR CB C 39 67.300 68.275 -0.975 1 1 398 . 8 1 1 A 39 39 THR N N 39 116.200 117.991 -1.791 1 1 399 . 8 1 1 A 40 40 ALA H H 40 8.060 8.412 -0.352 1 1 400 . 8 1 1 A 40 40 ALA HA H 40 4.110 4.022 0.088 1 1 404 . 8 1 1 A 40 40 ALA C C 40 178.900 180.401 -1.501 1 1 405 . 8 1 1 A 40 40 ALA CA C 40 54.500 55.194 -0.694 1 1 406 . 8 1 1 A 40 40 ALA CB C 40 18.800 17.854 0.946 1 1 407 . 8 1 1 A 40 40 ALA N N 40 121.200 125.136 -3.936 1 1 408 . 8 1 1 A 41 41 SER H H 41 7.580 7.901 -0.321 1 1 409 . 8 1 1 A 41 41 SER HA H 41 4.460 4.238 0.222 1 1 412 . 8 1 1 A 41 41 SER C C 41 172.900 174.509 -1.609 1 1 413 . 8 1 1 A 41 41 SER CA C 41 59.400 60.737 -1.337 1 1 414 . 8 1 1 A 41 41 SER CB C 41 63.700 62.939 0.761 1 1 415 . 8 1 1 A 41 41 SER N N 41 112.300 112.895 -0.595 1 1 416 . 8 1 1 A 42 42 LEU H H 42 7.330 7.679 -0.349 1 1 417 . 8 1 1 A 42 42 LEU HA H 42 4.460 4.577 -0.117 1 1 427 . 8 1 1 A 42 42 LEU C C 42 174.400 176.314 -1.914 1 1 428 . 8 1 1 A 42 42 LEU CA C 42 52.100 53.438 -1.338 1 1 429 . 8 1 1 A 42 42 LEU CB C 42 43.800 42.527 1.273 1 1 433 . 8 1 1 A 42 42 LEU N N 42 124.500 120.722 3.778 1 1 434 . 8 1 1 A 43 43 ALA H H 43 7.520 8.406 -0.886 1 1 435 . 8 1 1 A 43 43 ALA HA H 43 4.550 4.540 0.010 1 1 439 . 8 1 1 A 43 43 ALA C C 43 176.600 176.095 0.505 1 1 440 . 8 1 1 A 43 43 ALA CA C 43 53.300 51.562 1.738 1 1 441 . 8 1 1 A 43 43 ALA CB C 43 20.000 20.796 -0.796 1 1 442 . 8 1 1 A 43 43 ALA N N 43 118.200 123.365 -5.165 1 1 443 . 8 1 1 A 44 44 GLN H H 44 7.040 7.572 -0.532 1 1 444 . 8 1 1 A 44 44 GLN HA H 44 4.150 4.559 -0.409 1 1 449 . 8 1 1 A 44 44 GLN C C 44 172.800 173.318 -0.518 1 1 450 . 8 1 1 A 44 44 GLN CA C 44 53.400 54.152 -0.752 1 1 451 . 8 1 1 A 44 44 GLN CB C 44 31.600 31.897 -0.297 1 1 453 . 8 1 1 A 44 44 GLN N N 44 111.900 114.933 -3.033 1 1 455 . 8 1 1 A 45 45 GLU H H 45 8.490 8.575 -0.085 1 1 456 . 8 1 1 A 45 45 GLU HA H 45 3.680 3.771 -0.091 1 1 461 . 8 1 1 A 45 45 GLU C C 45 177.500 177.333 0.167 1 1 462 . 8 1 1 A 45 45 GLU CA C 45 57.100 58.136 -1.036 1 1 463 . 8 1 1 A 45 45 GLU CB C 45 28.500 29.327 -0.827 1 1 465 . 8 1 1 A 45 45 GLU N N 45 120.300 122.862 -2.562 1 1 466 . 8 1 1 A 46 46 GLY H H 46 8.520 8.662 -0.142 1 1 467 . 8 1 1 A 46 46 GLY HA2 H 46 4.140 3.300 0.840 1 1 468 . 8 1 1 A 46 46 GLY HA3 H 46 3.050 3.866 -0.816 1 1 469 . 8 1 1 A 46 46 GLY C C 46 173.900 173.883 0.017 1 1 470 . 8 1 1 A 46 46 GLY CA C 46 44.400 44.866 -0.466 1 1 471 . 8 1 1 A 46 46 GLY N N 46 115.100 114.688 0.412 1 1 472 . 8 1 1 A 47 47 ALA H H 47 7.690 7.772 -0.082 1 1 473 . 8 1 1 A 47 47 ALA HA H 47 4.320 4.206 0.114 1 1 477 . 8 1 1 A 47 47 ALA C C 47 176.000 176.367 -0.367 1 1 478 . 8 1 1 A 47 47 ALA CA C 47 52.800 52.320 0.480 1 1 479 . 8 1 1 A 47 47 ALA CB C 47 19.900 19.902 -0.002 1 1 480 . 8 1 1 A 47 47 ALA N N 47 123.600 123.556 0.044 1 1 481 . 8 1 1 A 48 48 THR H H 48 7.960 8.528 -0.568 1 1 482 . 8 1 1 A 48 48 THR HA H 48 5.440 4.991 0.449 1 1 487 . 8 1 1 A 48 48 THR C C 48 175.700 172.717 2.983 1 1 488 . 8 1 1 A 48 48 THR CA C 48 58.500 59.798 -1.298 1 1 489 . 8 1 1 A 48 48 THR CB C 48 73.500 72.365 1.135 1 1 491 . 8 1 1 A 48 48 THR N N 48 107.700 111.235 -3.535 1 1 492 . 8 1 1 A 49 49 SER H H 49 8.240 8.745 -0.505 1 1 493 . 8 1 1 A 49 49 SER HA H 49 4.810 4.575 0.235 1 1 494 . 8 1 1 A 49 49 SER C C 49 174.000 175.424 -1.424 1 1 495 . 8 1 1 A 49 49 SER CA C 49 57.100 58.625 -1.525 1 1 496 . 8 1 1 A 49 49 SER CB C 49 65.800 64.160 1.640 1 1 497 . 8 1 1 A 49 49 SER N N 49 115.400 118.369 -2.969 1 1 498 . 8 1 1 A 50 50 SER H H 50 8.640 8.660 -0.020 1 1 499 . 8 1 1 A 50 50 SER HA H 50 4.340 4.229 0.111 1 1 502 . 8 1 1 A 50 50 SER C C 50 174.200 174.524 -0.324 1 1 503 . 8 1 1 A 50 50 SER CA C 50 59.600 61.608 -2.008 1 1 504 . 8 1 1 A 50 50 SER CB C 50 63.200 63.430 -0.230 1 1 505 . 8 1 1 A 50 50 SER N N 50 114.800 118.675 -3.875 1 1 506 . 8 1 1 A 51 51 ALA H H 51 8.520 7.353 1.167 1 1 507 . 8 1 1 A 51 51 ALA HA H 51 4.640 4.569 0.071 1 1 511 . 8 1 1 A 51 51 ALA C C 51 177.800 175.085 2.715 1 1 512 . 8 1 1 A 51 51 ALA CA C 51 52.000 51.819 0.181 1 1 513 . 8 1 1 A 51 51 ALA CB C 51 20.100 21.933 -1.833 1 1 514 . 8 1 1 A 51 51 ALA N N 51 127.800 116.758 11.042 1 1 515 . 8 1 1 A 52 52 VAL H H 52 9.250 8.496 0.754 1 1 516 . 8 1 1 A 52 52 VAL HA H 52 4.380 4.825 -0.445 1 1 524 . 8 1 1 A 52 52 VAL C C 52 176.100 174.772 1.328 1 1 525 . 8 1 1 A 52 52 VAL CA C 52 61.200 60.975 0.225 1 1 526 . 8 1 1 A 52 52 VAL CB C 52 34.800 35.560 -0.760 1 1 529 . 8 1 1 A 52 52 VAL N N 52 122.200 119.899 2.301 1 1 530 . 8 1 1 A 53 53 GLY H H 53 8.730 9.152 -0.422 1 1 531 . 8 1 1 A 53 53 GLY HA2 H 53 4.890 4.233 0.657 1 1 532 . 8 1 1 A 53 53 GLY HA3 H 53 3.760 4.300 -0.540 1 1 533 . 8 1 1 A 53 53 GLY C C 53 173.700 173.171 0.529 1 1 534 . 8 1 1 A 53 53 GLY CA C 53 45.400 44.927 0.473 1 1 535 . 8 1 1 A 53 53 GLY N N 53 112.400 115.492 -3.092 1 1 536 . 8 1 1 A 54 54 PHE H H 54 8.500 8.546 -0.046 1 1 537 . 8 1 1 A 54 54 PHE HA H 54 4.830 5.176 -0.346 1 1 539 . 8 1 1 A 54 54 PHE C C 54 171.300 175.300 -4.000 1 1 540 . 8 1 1 A 54 54 PHE CA C 54 56.900 55.136 1.764 1 1 541 . 8 1 1 A 54 54 PHE CB C 54 41.600 39.339 2.261 1 1 545 . 8 1 1 A 54 54 PHE N N 54 118.300 118.964 -0.664 1 1 546 . 8 1 1 A 55 55 ASN H H 55 9.240 8.662 0.578 1 1 547 . 8 1 1 A 55 55 ASN HA H 55 5.640 4.973 0.667 1 1 552 . 8 1 1 A 55 55 ASN C C 55 175.200 175.301 -0.101 1 1 553 . 8 1 1 A 55 55 ASN CA C 55 51.800 52.892 -1.092 1 1 554 . 8 1 1 A 55 55 ASN CB C 55 43.000 38.948 4.052 1 1 555 . 8 1 1 A 55 55 ASN N N 55 117.100 118.742 -1.642 1 1 557 . 8 1 1 A 56 56 ILE H H 56 8.780 8.479 0.301 1 1 558 . 8 1 1 A 56 56 ILE HA H 56 4.150 4.387 -0.237 1 1 568 . 8 1 1 A 56 56 ILE C C 56 173.700 175.434 -1.734 1 1 569 . 8 1 1 A 56 56 ILE CA C 56 60.800 60.820 -0.020 1 1 570 . 8 1 1 A 56 56 ILE CB C 56 40.000 37.950 2.050 1 1 574 . 8 1 1 A 56 56 ILE N N 56 119.900 123.300 -3.400 1 1 575 . 8 1 1 A 57 57 GLN H H 57 8.840 8.647 0.193 1 1 576 . 8 1 1 A 57 57 GLN HA H 57 4.970 4.486 0.484 1 1 581 . 8 1 1 A 57 57 GLN C C 57 173.100 175.690 -2.590 1 1 582 . 8 1 1 A 57 57 GLN CA C 57 54.900 56.301 -1.401 1 1 583 . 8 1 1 A 57 57 GLN CB C 57 31.300 29.247 2.053 1 1 585 . 8 1 1 A 57 57 GLN N N 57 128.700 128.361 0.339 1 1 587 . 8 1 1 A 58 58 LEU H H 58 9.090 8.628 0.462 1 1 588 . 8 1 1 A 58 58 LEU HA H 58 5.010 5.164 -0.154 1 1 598 . 8 1 1 A 58 58 LEU C C 58 174.700 175.408 -0.708 1 1 599 . 8 1 1 A 58 58 LEU CA C 58 52.600 53.651 -1.051 1 1 600 . 8 1 1 A 58 58 LEU CB C 58 43.800 43.751 0.049 1 1 604 . 8 1 1 A 58 58 LEU N N 58 126.800 128.530 -1.730 1 1 605 . 8 1 1 A 59 59 ASN H H 59 9.670 8.725 0.945 1 1 606 . 8 1 1 A 59 59 ASN HA H 59 5.130 5.187 -0.057 1 1 611 . 8 1 1 A 59 59 ASN C C 59 175.700 174.142 1.558 1 1 612 . 8 1 1 A 59 59 ASN CA C 59 51.200 51.260 -0.060 1 1 613 . 8 1 1 A 59 59 ASN CB C 59 41.500 41.874 -0.374 1 1 614 . 8 1 1 A 59 59 ASN N N 59 119.300 117.878 1.422 1 1 616 . 8 1 1 A 60 60 ASP H H 60 9.440 8.731 0.709 1 1 617 . 8 1 1 A 60 60 ASP HA H 60 4.240 3.979 0.261 1 1 620 . 8 1 1 A 60 60 ASP C C 60 176.000 175.000 1.000 1 1 621 . 8 1 1 A 60 60 ASP CA C 60 55.200 55.260 -0.060 1 1 622 . 8 1 1 A 60 60 ASP CB C 60 39.100 39.171 -0.071 1 1 623 . 8 1 1 A 60 60 ASP N N 60 115.200 116.155 -0.955 1 1 624 . 8 1 1 A 61 61 CYS H H 61 8.690 7.904 0.786 1 1 625 . 8 1 1 A 61 61 CYS HA H 61 5.240 4.802 0.438 1 1 628 . 8 1 1 A 61 61 CYS CA C 61 56.800 56.230 0.570 1 1 629 . 8 1 1 A 61 61 CYS CB C 61 41.800 43.825 -2.025 1 1 630 . 8 1 1 A 61 61 CYS N N 61 114.600 115.557 -0.957 1 1 631 . 8 1 1 A 62 62 ASP H H 62 8.280 8.509 -0.229 1 1 632 . 8 1 1 A 62 62 ASP HA H 62 5.040 5.085 -0.045 1 1 635 . 8 1 1 A 62 62 ASP C C 62 178.200 175.948 2.252 1 1 636 . 8 1 1 A 62 62 ASP CA C 62 52.300 52.845 -0.545 1 1 637 . 8 1 1 A 62 62 ASP CB C 62 42.000 43.674 -1.674 1 1 638 . 8 1 1 A 62 62 ASP N N 62 122.300 123.293 -0.993 1 1 639 . 8 1 1 A 63 63 THR H H 63 8.620 8.761 -0.141 1 1 640 . 8 1 1 A 63 63 THR HA H 63 4.870 4.563 0.307 1 1 645 . 8 1 1 A 63 63 THR C C 63 176.500 176.208 0.292 1 1 646 . 8 1 1 A 63 63 THR CA C 63 63.100 62.962 0.138 1 1 647 . 8 1 1 A 63 63 THR CB C 63 68.500 69.445 -0.945 1 1 649 . 8 1 1 A 63 63 THR N N 63 115.500 117.107 -1.607 1 1 650 . 8 1 1 A 64 64 ASN H H 64 8.800 8.562 0.238 1 1 651 . 8 1 1 A 64 64 ASN HA H 64 4.580 4.428 0.152 1 1 656 . 8 1 1 A 64 64 ASN C C 64 176.800 177.930 -1.130 1 1 657 . 8 1 1 A 64 64 ASN CA C 64 55.100 56.067 -0.967 1 1 658 . 8 1 1 A 64 64 ASN CB C 64 38.300 38.450 -0.150 1 1 659 . 8 1 1 A 64 64 ASN N N 64 119.100 121.167 -2.067 1 1 661 . 8 1 1 A 65 65 VAL H H 65 7.780 7.806 -0.026 1 1 662 . 8 1 1 A 65 65 VAL HA H 65 3.800 3.893 -0.093 1 1 670 . 8 1 1 A 65 65 VAL C C 65 175.900 175.497 0.403 1 1 671 . 8 1 1 A 65 65 VAL CA C 65 64.400 64.919 -0.519 1 1 672 . 8 1 1 A 65 65 VAL CB C 65 32.500 32.560 -0.060 1 1 675 . 8 1 1 A 65 65 VAL N N 65 120.800 118.568 2.232 1 1 676 . 8 1 1 A 66 66 ALA H H 66 7.400 7.704 -0.304 1 1 677 . 8 1 1 A 66 66 ALA HA H 66 4.270 4.530 -0.260 1 1 681 . 8 1 1 A 66 66 ALA C C 66 173.800 177.169 -3.369 1 1 682 . 8 1 1 A 66 66 ALA CA C 66 52.400 51.398 1.002 1 1 683 . 8 1 1 A 66 66 ALA CB C 66 23.400 22.674 0.726 1 1 684 . 8 1 1 A 66 66 ALA N N 66 118.100 120.699 -2.599 1 1 685 . 8 1 1 A 67 67 SER H H 67 8.070 8.589 -0.519 1 1 686 . 8 1 1 A 67 67 SER HA H 67 4.720 4.519 0.201 1 1 689 . 8 1 1 A 67 67 SER C C 67 175.100 174.406 0.694 1 1 690 . 8 1 1 A 67 67 SER CA C 67 57.800 59.951 -2.151 1 1 691 . 8 1 1 A 67 67 SER CB C 67 65.200 64.163 1.037 1 1 692 . 8 1 1 A 67 67 SER N N 67 109.700 116.528 -6.828 1 1 693 . 8 1 1 A 68 68 LYS H H 68 8.140 7.831 0.309 1 1 694 . 8 1 1 A 68 68 LYS HA H 68 5.450 4.948 0.502 1 1 699 . 8 1 1 A 68 68 LYS C C 68 174.600 175.054 -0.454 1 1 700 . 8 1 1 A 68 68 LYS CA C 68 54.900 54.682 0.218 1 1 701 . 8 1 1 A 68 68 LYS CB C 68 38.000 37.206 0.794 1 1 705 . 8 1 1 A 68 68 LYS N N 68 121.300 119.155 2.145 1 1 706 . 8 1 1 A 69 69 ALA H H 69 8.560 9.142 -0.582 1 1 707 . 8 1 1 A 69 69 ALA HA H 69 5.630 5.490 0.140 1 1 711 . 8 1 1 A 69 69 ALA C C 69 175.300 175.873 -0.573 1 1 712 . 8 1 1 A 69 69 ALA CA C 69 50.000 49.825 0.175 1 1 713 . 8 1 1 A 69 69 ALA CB C 69 24.500 22.918 1.582 1 1 714 . 8 1 1 A 69 69 ALA N N 69 120.400 122.785 -2.385 1 1 715 . 8 1 1 A 70 70 ALA H H 70 8.660 8.853 -0.193 1 1 716 . 8 1 1 A 70 70 ALA HA H 70 4.660 5.415 -0.755 1 1 720 . 8 1 1 A 70 70 ALA C C 70 175.000 175.896 -0.896 1 1 721 . 8 1 1 A 70 70 ALA CA C 70 51.400 50.587 0.813 1 1 722 . 8 1 1 A 70 70 ALA CB C 70 23.800 24.109 -0.309 1 1 723 . 8 1 1 A 70 70 ALA N N 70 121.800 121.125 0.675 1 1 724 . 8 1 1 A 71 71 VAL H H 71 8.730 9.070 -0.340 1 1 725 . 8 1 1 A 71 71 VAL HA H 71 5.230 4.843 0.387 1 1 733 . 8 1 1 A 71 71 VAL C C 71 174.200 175.295 -1.095 1 1 734 . 8 1 1 A 71 71 VAL CA C 71 61.200 60.996 0.204 1 1 735 . 8 1 1 A 71 71 VAL CB C 71 36.100 33.112 2.988 1 1 738 . 8 1 1 A 71 71 VAL N N 71 119.200 118.028 1.172 1 1 739 . 8 1 1 A 72 72 ALA H H 72 8.200 9.196 -0.996 1 1 740 . 8 1 1 A 72 72 ALA HA H 72 4.680 4.722 -0.042 1 1 744 . 8 1 1 A 72 72 ALA C C 72 176.500 177.366 -0.866 1 1 745 . 8 1 1 A 72 72 ALA CA C 72 50.200 52.134 -1.934 1 1 746 . 8 1 1 A 72 72 ALA CB C 72 21.000 20.093 0.907 1 1 747 . 8 1 1 A 72 72 ALA N N 72 127.900 132.168 -4.268 1 1 748 . 8 1 1 A 73 73 PHE H H 73 9.700 9.230 0.470 1 1 749 . 8 1 1 A 73 73 PHE HA H 73 5.270 5.443 -0.173 1 1 753 . 8 1 1 A 73 73 PHE C C 73 174.500 174.474 0.026 1 1 754 . 8 1 1 A 73 73 PHE CA C 73 57.400 56.210 1.190 1 1 755 . 8 1 1 A 73 73 PHE CB C 73 42.800 43.911 -1.111 1 1 759 . 8 1 1 A 73 73 PHE N N 73 121.600 117.544 4.056 1 1 760 . 8 1 1 A 74 74 LEU H H 74 9.180 8.987 0.193 1 1 761 . 8 1 1 A 74 74 LEU HA H 74 4.670 4.987 -0.317 1 1 771 . 8 1 1 A 74 74 LEU C C 74 175.800 175.450 0.350 1 1 772 . 8 1 1 A 74 74 LEU CA C 74 53.600 54.417 -0.817 1 1 773 . 8 1 1 A 74 74 LEU CB C 74 45.400 46.502 -1.102 1 1 777 . 8 1 1 A 74 74 LEU N N 74 122.100 121.584 0.516 1 1 778 . 8 1 1 A 75 75 GLY H H 75 8.460 8.371 0.089 1 1 779 . 8 1 1 A 75 75 GLY HA2 H 75 3.960 4.292 -0.332 1 1 780 . 8 1 1 A 75 75 GLY HA3 H 75 4.380 4.312 0.068 1 1 781 . 8 1 1 A 75 75 GLY C C 75 171.100 171.777 -0.677 1 1 782 . 8 1 1 A 75 75 GLY CA C 75 44.900 45.638 -0.738 1 1 783 . 8 1 1 A 75 75 GLY N N 75 111.400 111.265 0.135 1 1 784 . 8 1 1 A 76 76 THR H H 76 8.450 8.816 -0.366 1 1 785 . 8 1 1 A 76 76 THR HA H 76 4.230 4.467 -0.237 1 1 790 . 8 1 1 A 76 76 THR C C 76 173.500 174.409 -0.909 1 1 791 . 8 1 1 A 76 76 THR CA C 76 62.600 63.191 -0.591 1 1 792 . 8 1 1 A 76 76 THR CB C 76 69.800 69.298 0.502 1 1 794 . 8 1 1 A 76 76 THR N N 76 118.300 115.906 2.394 1 1 795 . 8 1 1 A 77 77 ALA H H 77 8.740 8.817 -0.077 1 1 796 . 8 1 1 A 77 77 ALA HA H 77 4.860 4.569 0.291 1 1 800 . 8 1 1 A 77 77 ALA C C 77 179.700 178.114 1.586 1 1 801 . 8 1 1 A 77 77 ALA CA C 77 51.700 52.433 -0.733 1 1 802 . 8 1 1 A 77 77 ALA CB C 77 19.600 19.041 0.559 1 1 803 . 8 1 1 A 77 77 ALA N N 77 130.800 128.509 2.291 1 1 804 . 8 1 1 A 78 78 ILE H H 78 9.000 8.626 0.374 1 1 805 . 8 1 1 A 78 78 ILE HA H 78 3.820 4.013 -0.193 1 1 815 . 8 1 1 A 78 78 ILE C C 78 173.900 174.651 -0.751 1 1 816 . 8 1 1 A 78 78 ILE CA C 78 65.500 63.948 1.552 1 1 817 . 8 1 1 A 78 78 ILE CB C 78 39.200 38.682 0.518 1 1 821 . 8 1 1 A 78 78 ILE N N 78 122.600 123.220 -0.620 1 1 822 . 8 1 1 A 79 79 ASP H H 79 7.360 7.871 -0.511 1 1 823 . 8 1 1 A 79 79 ASP HA H 79 4.450 4.915 -0.465 1 1 826 . 8 1 1 A 79 79 ASP C C 79 175.700 175.633 0.067 1 1 827 . 8 1 1 A 79 79 ASP CA C 79 53.900 53.464 0.436 1 1 828 . 8 1 1 A 79 79 ASP CB C 79 41.800 43.769 -1.969 1 1 829 . 8 1 1 A 79 79 ASP N N 79 113.600 120.083 -6.483 1 1 830 . 8 1 1 A 80 80 ALA H H 80 8.510 8.877 -0.367 1 1 831 . 8 1 1 A 80 80 ALA HA H 80 4.100 3.972 0.128 1 1 835 . 8 1 1 A 80 80 ALA C C 80 178.600 179.412 -0.812 1 1 836 . 8 1 1 A 80 80 ALA CA C 80 54.200 55.241 -1.041 1 1 837 . 8 1 1 A 80 80 ALA CB C 80 18.600 18.476 0.124 1 1 838 . 8 1 1 A 80 80 ALA N N 80 118.700 125.653 -6.953 1 1 839 . 8 1 1 A 81 81 GLY H H 81 8.440 8.652 -0.212 1 1 840 . 8 1 1 A 81 81 GLY HA2 H 81 3.490 3.880 -0.390 1 1 841 . 8 1 1 A 81 81 GLY HA3 H 81 4.120 3.892 0.228 1 1 842 . 8 1 1 A 81 81 GLY C C 81 174.100 174.395 -0.295 1 1 843 . 8 1 1 A 81 81 GLY CA C 81 44.800 45.709 -0.909 1 1 844 . 8 1 1 A 81 81 GLY N N 81 104.400 105.198 -0.798 1 1 845 . 8 1 1 A 82 82 HIS H H 82 7.830 7.811 0.019 1 1 846 . 8 1 1 A 82 82 HIS HA H 82 4.920 4.923 -0.003 1 1 851 . 8 1 1 A 82 82 HIS C C 82 174.600 175.259 -0.659 1 1 852 . 8 1 1 A 82 82 HIS CA C 82 54.700 55.245 -0.545 1 1 853 . 8 1 1 A 82 82 HIS CB C 82 28.100 29.520 -1.420 1 1 856 . 8 1 1 A 82 82 HIS N N 82 120.400 117.247 3.153 1 1 857 . 8 1 1 A 83 83 THR H H 83 8.220 8.101 0.119 1 1 858 . 8 1 1 A 83 83 THR HA H 83 4.090 4.050 0.040 1 1 863 . 8 1 1 A 83 83 THR C C 83 174.300 176.063 -1.763 1 1 864 . 8 1 1 A 83 83 THR CA C 83 63.600 64.635 -1.035 1 1 865 . 8 1 1 A 83 83 THR CB C 83 68.500 68.597 -0.097 1 1 867 . 8 1 1 A 83 83 THR N N 83 109.800 112.937 -3.137 1 1 868 . 8 1 1 A 84 84 ASN H H 84 7.490 7.860 -0.370 1 1 869 . 8 1 1 A 84 84 ASN HA H 84 4.810 4.670 0.140 1 1 874 . 8 1 1 A 84 84 ASN C C 84 174.100 174.769 -0.669 1 1 875 . 8 1 1 A 84 84 ASN CA C 84 51.100 54.469 -3.369 1 1 876 . 8 1 1 A 84 84 ASN CB C 84 38.100 39.056 -0.956 1 1 877 . 8 1 1 A 84 84 ASN N N 84 115.800 118.615 -2.815 1 1 879 . 8 1 1 A 85 85 VAL H H 85 7.300 7.964 -0.664 1 1 880 . 8 1 1 A 85 85 VAL HA H 85 4.090 4.306 -0.216 1 1 888 . 8 1 1 A 85 85 VAL C C 85 173.700 175.524 -1.824 1 1 889 . 8 1 1 A 85 85 VAL CA C 85 61.600 61.009 0.591 1 1 890 . 8 1 1 A 85 85 VAL CB C 85 33.600 33.736 -0.136 1 1 893 . 8 1 1 A 85 85 VAL N N 85 120.200 119.490 0.710 1 1 894 . 8 1 1 A 86 86 LEU H H 86 9.850 8.805 1.045 1 1 895 . 8 1 1 A 86 86 LEU HA H 86 4.220 4.652 -0.432 1 1 905 . 8 1 1 A 86 86 LEU C C 86 176.800 178.651 -1.851 1 1 906 . 8 1 1 A 86 86 LEU CA C 86 55.000 54.663 0.337 1 1 907 . 8 1 1 A 86 86 LEU CB C 86 44.200 42.440 1.760 1 1 911 . 8 1 1 A 86 86 LEU N N 86 130.700 128.160 2.540 1 1 912 . 8 1 1 A 87 87 ALA H H 87 8.670 8.217 0.453 1 1 913 . 8 1 1 A 87 87 ALA HA H 87 4.110 4.563 -0.453 1 1 917 . 8 1 1 A 87 87 ALA C C 87 177.000 177.506 -0.506 1 1 918 . 8 1 1 A 87 87 ALA CA C 87 51.500 51.453 0.047 1 1 919 . 8 1 1 A 87 87 ALA CB C 87 20.000 18.731 1.269 1 1 920 . 8 1 1 A 87 87 ALA N N 87 123.600 125.597 -1.997 1 1 921 . 8 1 1 A 88 88 LEU H H 88 8.590 8.009 0.581 1 1 922 . 8 1 1 A 88 88 LEU HA H 88 4.780 4.385 0.395 1 1 932 . 8 1 1 A 88 88 LEU C C 88 179.400 176.020 3.380 1 1 933 . 8 1 1 A 88 88 LEU CA C 88 53.500 56.997 -3.497 1 1 934 . 8 1 1 A 88 88 LEU CB C 88 41.600 40.736 0.864 1 1 938 . 8 1 1 A 88 88 LEU N N 88 116.800 116.264 0.536 1 1 939 . 8 1 1 A 89 89 GLN H H 89 9.050 7.962 1.088 1 1 940 . 8 1 1 A 89 89 GLN HA H 89 4.340 4.892 -0.552 1 1 945 . 8 1 1 A 89 89 GLN C C 89 177.200 174.650 2.550 1 1 946 . 8 1 1 A 89 89 GLN CA C 89 55.800 53.768 2.032 1 1 947 . 8 1 1 A 89 89 GLN CB C 89 29.900 30.638 -0.738 1 1 949 . 8 1 1 A 89 89 GLN N N 89 120.900 117.843 3.057 1 1 951 . 8 1 1 A 90 90 SER H H 90 8.660 8.676 -0.016 1 1 952 . 8 1 1 A 90 90 SER HA H 90 4.520 4.478 0.042 1 1 955 . 8 1 1 A 90 90 SER C C 90 174.100 174.271 -0.171 1 1 956 . 8 1 1 A 90 90 SER CA C 90 58.400 58.066 0.334 1 1 957 . 8 1 1 A 90 90 SER CB C 90 63.800 64.590 -0.790 1 1 958 . 8 1 1 A 90 90 SER N N 90 118.600 115.617 2.983 1 1 959 . 8 1 1 A 91 91 SER H H 91 8.360 8.793 -0.433 1 1 960 . 8 1 1 A 91 91 SER HA H 91 4.640 4.099 0.541 1 1 963 . 8 1 1 A 91 91 SER C C 91 175.100 174.988 0.112 1 1 964 . 8 1 1 A 91 91 SER CA C 91 57.700 58.840 -1.140 1 1 965 . 8 1 1 A 91 91 SER CB C 91 64.900 61.644 3.256 1 1 966 . 8 1 1 A 91 91 SER N N 91 117.100 113.172 3.928 1 1 967 . 8 1 1 A 92 92 ALA H H 92 8.720 7.757 0.963 1 1 968 . 8 1 1 A 92 92 ALA HA H 92 4.230 3.986 0.244 1 1 972 . 8 1 1 A 92 92 ALA C C 92 178.400 178.385 0.015 1 1 973 . 8 1 1 A 92 92 ALA CA C 92 54.000 55.471 -1.471 1 1 974 . 8 1 1 A 92 92 ALA CB C 92 18.700 18.914 -0.214 1 1 975 . 8 1 1 A 92 92 ALA N N 92 127.600 123.983 3.617 1 1 976 . 8 1 1 A 93 93 ALA H H 93 8.180 7.654 0.526 1 1 977 . 8 1 1 A 93 93 ALA HA H 93 4.340 4.552 -0.212 1 1 981 . 8 1 1 A 93 93 ALA C C 93 178.000 179.171 -1.171 1 1 982 . 8 1 1 A 93 93 ALA CA C 93 52.700 51.693 1.007 1 1 983 . 8 1 1 A 93 93 ALA CB C 93 19.100 19.920 -0.820 1 1 984 . 8 1 1 A 93 93 ALA N N 93 119.800 118.361 1.439 1 1 985 . 8 1 1 A 94 94 GLY H H 94 7.880 8.246 -0.366 1 1 986 . 8 1 1 A 94 94 GLY HA2 H 94 4.370 3.886 0.484 1 1 987 . 8 1 1 A 94 94 GLY HA3 H 94 3.780 3.890 -0.110 1 1 988 . 8 1 1 A 94 94 GLY C C 94 174.400 174.689 -0.289 1 1 989 . 8 1 1 A 94 94 GLY CA C 94 45.200 47.281 -2.081 1 1 990 . 8 1 1 A 94 94 GLY N N 94 107.900 107.593 0.307 1 1 991 . 8 1 1 A 95 95 SER H H 95 8.510 8.046 0.464 1 1 992 . 8 1 1 A 95 95 SER HA H 95 5.060 4.836 0.224 1 1 995 . 8 1 1 A 95 95 SER C C 95 174.400 174.242 0.158 1 1 996 . 8 1 1 A 95 95 SER CA C 95 58.000 58.766 -0.766 1 1 997 . 8 1 1 A 95 95 SER CB C 95 65.100 64.123 0.977 1 1 998 . 8 1 1 A 95 95 SER N N 95 119.300 115.908 3.392 1 1 999 . 8 1 1 A 96 96 ALA H H 96 8.340 8.498 -0.158 1 1 1000 . 8 1 1 A 96 96 ALA HA H 96 3.830 4.273 -0.443 1 1 1004 . 8 1 1 A 96 96 ALA C C 96 176.800 177.530 -0.730 1 1 1005 . 8 1 1 A 96 96 ALA CA C 96 53.200 52.508 0.692 1 1 1006 . 8 1 1 A 96 96 ALA CB C 96 19.700 19.206 0.494 1 1 1007 . 8 1 1 A 96 96 ALA N N 96 126.000 126.529 -0.529 1 1 1008 . 8 1 1 A 97 97 THR H H 97 7.150 8.778 -1.628 1 1 1009 . 8 1 1 A 97 97 THR HA H 97 4.760 4.692 0.068 1 1 1014 . 8 1 1 A 97 97 THR C C 97 173.100 174.066 -0.966 1 1 1015 . 8 1 1 A 97 97 THR CA C 97 60.300 60.672 -0.372 1 1 1016 . 8 1 1 A 97 97 THR CB C 97 71.600 70.640 0.960 1 1 1018 . 8 1 1 A 97 97 THR N N 97 109.600 112.278 -2.678 1 1 1019 . 8 1 1 A 98 98 ASN H H 98 8.920 8.814 0.106 1 1 1020 . 8 1 1 A 98 98 ASN HA H 98 4.030 4.276 -0.246 1 1 1025 . 8 1 1 A 98 98 ASN C C 98 173.600 173.661 -0.061 1 1 1026 . 8 1 1 A 98 98 ASN CA C 98 53.800 54.514 -0.714 1 1 1027 . 8 1 1 A 98 98 ASN CB C 98 35.500 37.405 -1.905 1 1 1028 . 8 1 1 A 98 98 ASN N N 98 112.300 117.881 -5.581 1 1 1030 . 8 1 1 A 99 99 VAL H H 99 7.170 7.704 -0.534 1 1 1031 . 8 1 1 A 99 99 VAL HA H 99 4.920 4.832 0.088 1 1 1039 . 8 1 1 A 99 99 VAL C C 99 172.400 173.943 -1.543 1 1 1040 . 8 1 1 A 99 99 VAL CA C 99 60.100 59.886 0.214 1 1 1041 . 8 1 1 A 99 99 VAL CB C 99 34.800 35.764 -0.964 1 1 1044 . 8 1 1 A 99 99 VAL N N 99 112.000 117.518 -5.518 1 1 1045 . 8 1 1 A 100 100 GLY H H 100 8.480 8.661 -0.181 1 1 1046 . 8 1 1 A 100 100 GLY HA2 H 100 3.960 4.383 -0.423 1 1 1047 . 8 1 1 A 100 100 GLY HA3 H 100 4.530 4.406 0.124 1 1 1048 . 8 1 1 A 100 100 GLY C C 100 172.600 172.238 0.362 1 1 1049 . 8 1 1 A 100 100 GLY CA C 100 45.000 44.781 0.219 1 1 1050 . 8 1 1 A 100 100 GLY N N 100 112.100 113.346 -1.246 1 1 1051 . 8 1 1 A 101 101 VAL H H 101 8.030 8.334 -0.304 1 1 1052 . 8 1 1 A 101 101 VAL HA H 101 4.680 4.195 0.485 1 1 1060 . 8 1 1 A 101 101 VAL C C 101 174.500 174.948 -0.448 1 1 1061 . 8 1 1 A 101 101 VAL CA C 101 61.300 62.313 -1.013 1 1 1062 . 8 1 1 A 101 101 VAL CB C 101 34.900 31.839 3.061 1 1 1065 . 8 1 1 A 101 101 VAL N N 101 120.000 121.137 -1.137 1 1 1066 . 8 1 1 A 102 102 GLN H H 102 9.150 8.259 0.891 1 1 1067 . 8 1 1 A 102 102 GLN HA H 102 4.700 4.854 -0.154 1 1 1074 . 8 1 1 A 102 102 GLN C C 102 173.600 174.114 -0.514 1 1 1075 . 8 1 1 A 102 102 GLN CA C 102 54.100 54.147 -0.047 1 1 1076 . 8 1 1 A 102 102 GLN CB C 102 34.200 32.681 1.519 1 1 1078 . 8 1 1 A 102 102 GLN N N 102 124.500 124.309 0.191 1 1 1080 . 8 1 1 A 103 103 ILE H H 103 9.560 8.681 0.879 1 1 1081 . 8 1 1 A 103 103 ILE HA H 103 4.440 4.936 -0.496 1 1 1091 . 8 1 1 A 103 103 ILE C C 103 174.000 174.931 -0.931 1 1 1092 . 8 1 1 A 103 103 ILE CA C 103 60.800 59.738 1.062 1 1 1093 . 8 1 1 A 103 103 ILE CB C 103 39.600 40.338 -0.738 1 1 1097 . 8 1 1 A 103 103 ILE N N 103 123.600 121.718 1.882 1 1 1098 . 8 1 1 A 104 104 LEU H H 104 9.380 9.034 0.346 1 1 1099 . 8 1 1 A 104 104 LEU HA H 104 5.320 5.201 0.119 1 1 1109 . 8 1 1 A 104 104 LEU C C 104 177.700 176.801 0.899 1 1 1110 . 8 1 1 A 104 104 LEU CA C 104 52.500 53.386 -0.886 1 1 1111 . 8 1 1 A 104 104 LEU CB C 104 43.900 45.593 -1.693 1 1 1115 . 8 1 1 A 104 104 LEU N N 104 125.000 126.980 -1.980 1 1 1116 . 8 1 1 A 105 105 ASP H H 105 8.200 9.027 -0.827 1 1 1117 . 8 1 1 A 105 105 ASP HA H 105 4.960 4.575 0.385 1 1 1120 . 8 1 1 A 105 105 ASP C C 105 179.000 176.597 2.403 1 1 1121 . 8 1 1 A 105 105 ASP CA C 105 52.000 57.094 -5.094 1 1 1122 . 8 1 1 A 105 105 ASP CB C 105 42.700 40.172 2.528 1 1 1123 . 8 1 1 A 105 105 ASP N N 105 117.900 123.982 -6.082 1 1 1124 . 8 1 1 A 106 106 ARG H H 106 8.680 7.804 0.876 1 1 1125 . 8 1 1 A 106 106 ARG HA H 106 4.040 4.410 -0.370 1 1 1131 . 8 1 1 A 106 106 ARG C C 106 177.000 176.481 0.519 1 1 1132 . 8 1 1 A 106 106 ARG CA C 106 58.300 56.793 1.507 1 1 1133 . 8 1 1 A 106 106 ARG CB C 106 29.300 32.118 -2.818 1 1 1136 . 8 1 1 A 106 106 ARG N N 106 117.500 115.235 2.265 1 1 1138 . 8 1 1 A 107 107 THR H H 107 8.180 7.895 0.285 1 1 1139 . 8 1 1 A 107 107 THR HA H 107 4.380 4.420 -0.040 1 1 1144 . 8 1 1 A 107 107 THR C C 107 175.800 174.642 1.158 1 1 1145 . 8 1 1 A 107 107 THR CA C 107 62.100 62.121 -0.021 1 1 1146 . 8 1 1 A 107 107 THR CB C 107 70.200 68.868 1.332 1 1 1148 . 8 1 1 A 107 107 THR N N 107 111.000 114.489 -3.489 1 1 1149 . 8 1 1 A 108 108 GLY H H 108 8.250 7.888 0.362 1 1 1150 . 8 1 1 A 108 108 GLY HA2 H 108 3.460 3.978 -0.518 1 1 1151 . 8 1 1 A 108 108 GLY HA3 H 108 4.310 3.981 0.329 1 1 1152 . 8 1 1 A 108 108 GLY C C 108 172.600 174.727 -2.127 1 1 1153 . 8 1 1 A 108 108 GLY CA C 108 45.000 46.200 -1.200 1 1 1154 . 8 1 1 A 108 108 GLY N N 108 109.900 110.642 -0.742 1 1 1155 . 8 1 1 A 109 109 ALA H H 109 7.380 7.671 -0.291 1 1 1156 . 8 1 1 A 109 109 ALA HA H 109 4.280 4.257 0.023 1 1 1160 . 8 1 1 A 109 109 ALA C C 109 176.300 176.953 -0.653 1 1 1161 . 8 1 1 A 109 109 ALA CA C 109 51.500 52.135 -0.635 1 1 1162 . 8 1 1 A 109 109 ALA CB C 109 19.800 19.020 0.780 1 1 1163 . 8 1 1 A 109 109 ALA N N 109 123.700 123.575 0.125 1 1 1164 . 8 1 1 A 110 110 ALA H H 110 8.240 8.358 -0.118 1 1 1165 . 8 1 1 A 110 110 ALA HA H 110 4.710 4.477 0.233 1 1 1169 . 8 1 1 A 110 110 ALA C C 110 178.500 177.171 1.329 1 1 1170 . 8 1 1 A 110 110 ALA CA C 110 51.500 52.687 -1.187 1 1 1171 . 8 1 1 A 110 110 ALA CB C 110 18.800 19.177 -0.377 1 1 1172 . 8 1 1 A 110 110 ALA N N 110 123.400 125.925 -2.525 1 1 1173 . 8 1 1 A 111 111 LEU H H 111 8.880 8.983 -0.103 1 1 1174 . 8 1 1 A 111 111 LEU HA H 111 4.480 4.740 -0.260 1 1 1184 . 8 1 1 A 111 111 LEU C C 111 176.900 176.501 0.399 1 1 1185 . 8 1 1 A 111 111 LEU CA C 111 54.500 53.780 0.720 1 1 1186 . 8 1 1 A 111 111 LEU CB C 111 42.400 42.899 -0.499 1 1 1190 . 8 1 1 A 111 111 LEU N N 111 125.900 122.749 3.151 1 1 1191 . 8 1 1 A 112 112 THR H H 112 7.980 8.783 -0.803 1 1 1192 . 8 1 1 A 112 112 THR HA H 112 3.940 4.103 -0.163 1 1 1197 . 8 1 1 A 112 112 THR C C 112 174.700 174.815 -0.115 1 1 1198 . 8 1 1 A 112 112 THR CA C 112 63.600 63.720 -0.120 1 1 1199 . 8 1 1 A 112 112 THR CB C 112 69.100 69.943 -0.843 1 1 1201 . 8 1 1 A 112 112 THR N N 112 114.300 120.091 -5.791 1 1 1202 . 8 1 1 A 113 113 LEU H H 113 7.460 8.757 -1.297 1 1 1203 . 8 1 1 A 113 113 LEU HA H 113 4.860 4.608 0.252 1 1 1213 . 8 1 1 A 113 113 LEU C C 113 177.000 176.412 0.588 1 1 1214 . 8 1 1 A 113 113 LEU CA C 113 54.700 54.056 0.644 1 1 1215 . 8 1 1 A 113 113 LEU CB C 113 42.100 39.849 2.251 1 1 1219 . 8 1 1 A 113 113 LEU N N 113 124.600 126.326 -1.726 1 1 1220 . 8 1 1 A 114 114 ASP H H 114 7.680 8.258 -0.578 1 1 1221 . 8 1 1 A 114 114 ASP HA H 114 4.640 4.707 -0.067 1 1 1224 . 8 1 1 A 114 114 ASP C C 114 178.100 176.361 1.739 1 1 1225 . 8 1 1 A 114 114 ASP CA C 114 53.600 54.654 -1.054 1 1 1226 . 8 1 1 A 114 114 ASP CB C 114 41.400 42.364 -0.964 1 1 1227 . 8 1 1 A 114 114 ASP N N 114 116.100 122.646 -6.546 1 1 1228 . 8 1 1 A 115 115 GLY H H 115 8.730 7.925 0.805 1 1 1229 . 8 1 1 A 115 115 GLY HA2 H 115 3.920 4.054 -0.134 1 1 1230 . 8 1 1 A 115 115 GLY HA3 H 115 3.190 4.066 -0.876 1 1 1231 . 8 1 1 A 115 115 GLY C C 115 172.400 174.877 -2.477 1 1 1232 . 8 1 1 A 115 115 GLY CA C 115 46.500 45.526 0.974 1 1 1233 . 8 1 1 A 115 115 GLY N N 115 110.200 107.164 3.036 1 1 1234 . 8 1 1 A 116 116 ALA H H 116 7.930 7.968 -0.038 1 1 1235 . 8 1 1 A 116 116 ALA HA H 116 4.380 4.472 -0.092 1 1 1239 . 8 1 1 A 116 116 ALA C C 116 176.100 177.396 -1.296 1 1 1240 . 8 1 1 A 116 116 ALA CA C 116 51.300 52.122 -0.822 1 1 1241 . 8 1 1 A 116 116 ALA CB C 116 20.700 20.590 0.110 1 1 1242 . 8 1 1 A 116 116 ALA N N 116 120.900 121.823 -0.923 1 1 1243 . 8 1 1 A 117 117 THR H H 117 7.720 7.684 0.036 1 1 1244 . 8 1 1 A 117 117 THR HA H 117 4.400 4.443 -0.043 1 1 1249 . 8 1 1 A 117 117 THR C C 117 173.700 174.035 -0.335 1 1 1250 . 8 1 1 A 117 117 THR CA C 117 62.000 62.697 -0.697 1 1 1251 . 8 1 1 A 117 117 THR CB C 117 68.400 68.117 0.283 1 1 1253 . 8 1 1 A 117 117 THR N N 117 118.200 115.034 3.166 1 1 1254 . 8 1 1 A 118 118 PHE H H 118 8.880 8.655 0.225 1 1 1255 . 8 1 1 A 118 118 PHE HA H 118 4.280 4.809 -0.529 1 1 1256 . 8 1 1 A 118 118 PHE C C 118 176.400 175.694 0.706 1 1 1257 . 8 1 1 A 118 118 PHE CA C 118 59.000 56.753 2.247 1 1 1258 . 8 1 1 A 118 118 PHE CB C 118 40.300 40.468 -0.168 1 1 1259 . 8 1 1 A 118 118 PHE N N 118 126.400 126.500 -0.100 1 1 1260 . 8 1 1 A 119 119 SER H H 119 9.240 8.628 0.612 1 1 1261 . 8 1 1 A 119 119 SER HA H 119 4.570 4.890 -0.320 1 1 1264 . 8 1 1 A 119 119 SER C C 119 172.700 173.718 -1.018 1 1 1265 . 8 1 1 A 119 119 SER CA C 119 58.100 56.359 1.741 1 1 1266 . 8 1 1 A 119 119 SER CB C 119 66.400 65.361 1.039 1 1 1267 . 8 1 1 A 119 119 SER N N 119 116.900 113.074 3.826 1 1 1268 . 8 1 1 A 120 120 SER H H 120 9.030 8.172 0.858 1 1 1269 . 8 1 1 A 120 120 SER HA H 120 4.220 4.342 -0.122 1 1 1272 . 8 1 1 A 120 120 SER C C 120 175.800 174.930 0.870 1 1 1273 . 8 1 1 A 120 120 SER CA C 120 59.500 59.078 0.422 1 1 1274 . 8 1 1 A 120 120 SER CB C 120 62.800 63.678 -0.878 1 1 1275 . 8 1 1 A 120 120 SER N N 120 113.500 115.866 -2.366 1 1 1276 . 8 1 1 A 121 121 GLU H H 121 8.890 8.651 0.239 1 1 1277 . 8 1 1 A 121 121 GLU HA H 121 4.440 4.923 -0.483 1 1 1282 . 8 1 1 A 121 121 GLU C C 121 177.300 176.301 0.999 1 1 1283 . 8 1 1 A 121 121 GLU CA C 121 57.400 56.175 1.225 1 1 1284 . 8 1 1 A 121 121 GLU CB C 121 30.600 30.538 0.062 1 1 1286 . 8 1 1 A 121 121 GLU N N 121 123.700 124.935 -1.235 1 1 1287 . 8 1 1 A 122 122 THR H H 122 9.370 8.624 0.746 1 1 1288 . 8 1 1 A 122 122 THR HA H 122 4.530 4.696 -0.166 1 1 1293 . 8 1 1 A 122 122 THR C C 122 173.900 174.155 -0.255 1 1 1294 . 8 1 1 A 122 122 THR CA C 122 62.500 61.954 0.546 1 1 1295 . 8 1 1 A 122 122 THR CB C 122 72.000 69.850 2.150 1 1 1297 . 8 1 1 A 122 122 THR N N 122 122.600 118.085 4.515 1 1 1298 . 8 1 1 A 123 123 THR H H 123 8.930 8.772 0.158 1 1 1299 . 8 1 1 A 123 123 THR HA H 123 4.400 4.500 -0.100 1 1 1304 . 8 1 1 A 123 123 THR C C 123 173.900 174.449 -0.549 1 1 1305 . 8 1 1 A 123 123 THR CA C 123 63.500 63.279 0.221 1 1 1306 . 8 1 1 A 123 123 THR CB C 123 68.700 69.711 -1.011 1 1 1308 . 8 1 1 A 123 123 THR N N 123 124.900 121.367 3.533 1 1 1309 . 8 1 1 A 124 124 LEU H H 124 8.360 8.829 -0.469 1 1 1310 . 8 1 1 A 124 124 LEU HA H 124 4.240 5.037 -0.797 1 1 1320 . 8 1 1 A 124 124 LEU C C 124 176.400 175.718 0.682 1 1 1321 . 8 1 1 A 124 124 LEU CA C 124 54.300 53.267 1.033 1 1 1322 . 8 1 1 A 124 124 LEU CB C 124 43.300 45.142 -1.842 1 1 1326 . 8 1 1 A 124 124 LEU N N 124 127.700 125.237 2.463 1 1 1327 . 8 1 1 A 125 125 ASN H H 125 8.950 8.969 -0.019 1 1 1328 . 8 1 1 A 125 125 ASN HA H 125 4.930 5.344 -0.414 1 1 1333 . 8 1 1 A 125 125 ASN C C 125 175.800 174.285 1.515 1 1 1334 . 8 1 1 A 125 125 ASN CA C 125 51.100 51.179 -0.079 1 1 1335 . 8 1 1 A 125 125 ASN CB C 125 41.800 42.108 -0.308 1 1 1336 . 8 1 1 A 125 125 ASN N N 125 117.400 116.422 0.978 1 1 1338 . 8 1 1 A 126 126 ASN H H 126 8.890 8.753 0.137 1 1 1339 . 8 1 1 A 126 126 ASN HA H 126 4.640 4.685 -0.045 1 1 1344 . 8 1 1 A 126 126 ASN C C 126 177.400 175.742 1.658 1 1 1345 . 8 1 1 A 126 126 ASN CA C 126 54.500 54.674 -0.174 1 1 1346 . 8 1 1 A 126 126 ASN CB C 126 38.200 37.462 0.738 1 1 1347 . 8 1 1 A 126 126 ASN N N 126 120.300 118.658 1.642 1 1 1349 . 8 1 1 A 127 127 GLY H H 127 9.090 8.432 0.658 1 1 1350 . 8 1 1 A 127 127 GLY HA2 H 127 3.650 4.001 -0.351 1 1 1351 . 8 1 1 A 127 127 GLY HA3 H 127 4.400 4.003 0.397 1 1 1352 . 8 1 1 A 127 127 GLY CA C 127 45.600 44.340 1.260 1 1 1353 . 8 1 1 A 127 127 GLY N N 127 112.300 110.868 1.432 1 1 1354 . 8 1 1 A 128 128 THR H H 128 8.870 8.466 0.404 1 1 1355 . 8 1 1 A 128 128 THR HA H 128 5.270 4.811 0.459 1 1 1360 . 8 1 1 A 128 128 THR C C 128 175.700 174.087 1.613 1 1 1361 . 8 1 1 A 128 128 THR CA C 128 63.500 62.730 0.770 1 1 1362 . 8 1 1 A 128 128 THR CB C 128 69.600 70.214 -0.614 1 1 1364 . 8 1 1 A 128 128 THR N N 128 123.700 116.617 7.083 1 1 1365 . 8 1 1 A 129 129 ASN H H 129 10.060 8.898 1.162 1 1 1366 . 8 1 1 A 129 129 ASN HA H 129 5.070 5.384 -0.314 1 1 1371 . 8 1 1 A 129 129 ASN C C 129 172.700 173.208 -0.508 1 1 1372 . 8 1 1 A 129 129 ASN CA C 129 52.700 52.247 0.453 1 1 1373 . 8 1 1 A 129 129 ASN CB C 129 44.400 42.203 2.197 1 1 1374 . 8 1 1 A 129 129 ASN N N 129 125.700 121.684 4.016 1 1 1376 . 8 1 1 A 130 130 THR H H 130 9.030 8.685 0.345 1 1 1377 . 8 1 1 A 130 130 THR HA H 130 4.790 5.009 -0.219 1 1 1382 . 8 1 1 A 130 130 THR C C 130 172.900 173.133 -0.233 1 1 1383 . 8 1 1 A 130 130 THR CA C 130 61.800 60.987 0.813 1 1 1384 . 8 1 1 A 130 130 THR CB C 130 70.100 72.433 -2.333 1 1 1386 . 8 1 1 A 130 130 THR N N 130 117.800 112.655 5.145 1 1 1387 . 8 1 1 A 131 131 ILE H H 131 9.050 8.440 0.610 1 1 1388 . 8 1 1 A 131 131 ILE HA H 131 4.480 4.511 -0.031 1 1 1398 . 8 1 1 A 131 131 ILE CA C 131 58.300 57.548 0.752 1 1 1399 . 8 1 1 A 131 131 ILE CB C 131 39.600 38.753 0.847 1 1 1403 . 8 1 1 A 131 131 ILE N N 131 128.200 125.255 2.945 1 1 1404 . 8 1 1 A 132 132 PRO HA H 132 4.940 4.760 0.180 1 1 1409 . 8 1 1 A 132 132 PRO C C 132 175.200 176.139 -0.939 1 1 1410 . 8 1 1 A 132 132 PRO CA C 132 62.200 62.087 0.113 1 1 1411 . 8 1 1 A 132 132 PRO CB C 132 32.900 29.207 3.693 1 1 1414 . 8 1 1 A 133 133 PHE H H 133 8.460 8.172 0.288 1 1 1415 . 8 1 1 A 133 133 PHE HA H 133 4.530 4.915 -0.385 1 1 1418 . 8 1 1 A 133 133 PHE C C 133 175.600 176.507 -0.907 1 1 1419 . 8 1 1 A 133 133 PHE CA C 133 57.000 57.632 -0.632 1 1 1420 . 8 1 1 A 133 133 PHE CB C 133 45.000 39.394 5.606 1 1 1424 . 8 1 1 A 133 133 PHE N N 133 117.000 123.097 -6.097 1 1 1425 . 8 1 1 A 134 134 GLN H H 134 8.830 9.010 -0.180 1 1 1426 . 8 1 1 A 134 134 GLN HA H 134 5.490 5.502 -0.012 1 1 1431 . 8 1 1 A 134 134 GLN C C 134 174.500 175.582 -1.082 1 1 1432 . 8 1 1 A 134 134 GLN CA C 134 54.200 54.326 -0.126 1 1 1433 . 8 1 1 A 134 134 GLN CB C 134 35.000 32.196 2.804 1 1 1435 . 8 1 1 A 134 134 GLN N N 134 117.300 119.936 -2.636 1 1 1437 . 8 1 1 A 135 135 ALA H H 135 9.280 9.474 -0.194 1 1 1438 . 8 1 1 A 135 135 ALA HA H 135 5.620 5.547 0.073 1 1 1442 . 8 1 1 A 135 135 ALA C C 135 174.900 175.508 -0.608 1 1 1443 . 8 1 1 A 135 135 ALA CA C 135 50.500 50.187 0.313 1 1 1444 . 8 1 1 A 135 135 ALA CB C 135 25.000 23.137 1.863 1 1 1445 . 8 1 1 A 135 135 ALA N N 135 121.800 122.926 -1.126 1 1 1446 . 8 1 1 A 136 136 ARG H H 136 8.380 8.474 -0.094 1 1 1447 . 8 1 1 A 136 136 ARG HA H 136 4.520 4.888 -0.368 1 1 1453 . 8 1 1 A 136 136 ARG C C 136 173.600 174.490 -0.890 1 1 1454 . 8 1 1 A 136 136 ARG CA C 136 53.900 54.502 -0.602 1 1 1455 . 8 1 1 A 136 136 ARG CB C 136 33.400 33.726 -0.326 1 1 1457 . 8 1 1 A 136 136 ARG N N 136 113.300 116.306 -3.006 1 1 1459 . 8 1 1 A 137 137 TYR H H 137 8.550 8.708 -0.158 1 1 1460 . 8 1 1 A 137 137 TYR HA H 137 5.360 4.978 0.382 1 1 1463 . 8 1 1 A 137 137 TYR C C 137 175.500 175.226 0.274 1 1 1464 . 8 1 1 A 137 137 TYR CA C 137 58.300 58.883 -0.583 1 1 1465 . 8 1 1 A 137 137 TYR CB C 137 39.900 39.339 0.561 1 1 1468 . 8 1 1 A 137 137 TYR N N 137 118.500 121.058 -2.558 1 1 1469 . 8 1 1 A 138 138 PHE H H 138 8.870 9.337 -0.467 1 1 1470 . 8 1 1 A 138 138 PHE HA H 138 4.920 5.276 -0.356 1 1 1474 . 8 1 1 A 138 138 PHE C C 138 173.600 173.492 0.108 1 1 1475 . 8 1 1 A 138 138 PHE CA C 138 56.400 56.187 0.213 1 1 1476 . 8 1 1 A 138 138 PHE CB C 138 44.100 42.308 1.792 1 1 1480 . 8 1 1 A 138 138 PHE N N 138 122.300 123.546 -1.246 1 1 1481 . 8 1 1 A 139 139 ALA H H 139 8.730 8.593 0.137 1 1 1482 . 8 1 1 A 139 139 ALA HA H 139 5.040 4.950 0.090 1 1 1486 . 8 1 1 A 139 139 ALA C C 139 176.200 178.556 -2.356 1 1 1487 . 8 1 1 A 139 139 ALA CA C 139 51.000 50.749 0.251 1 1 1488 . 8 1 1 A 139 139 ALA CB C 139 19.700 20.360 -0.660 1 1 1489 . 8 1 1 A 139 139 ALA N N 139 131.200 130.029 1.171 1 1 1490 . 8 1 1 A 140 140 THR H H 140 8.230 9.071 -0.841 1 1 1491 . 8 1 1 A 140 140 THR HA H 140 4.260 4.578 -0.318 1 1 1496 . 8 1 1 A 140 140 THR C C 140 173.800 173.951 -0.151 1 1 1497 . 8 1 1 A 140 140 THR CA C 140 60.800 61.451 -0.651 1 1 1498 . 8 1 1 A 140 140 THR CB C 140 67.100 69.072 -1.972 1 1 1500 . 8 1 1 A 140 140 THR N N 140 111.900 111.928 -0.028 1 1 1501 . 8 1 1 A 141 141 GLY H H 141 7.450 7.286 0.164 1 1 1502 . 8 1 1 A 141 141 GLY HA2 H 141 3.620 4.043 -0.423 1 1 1503 . 8 1 1 A 141 141 GLY HA3 H 141 3.710 4.055 -0.345 1 1 1504 . 8 1 1 A 141 141 GLY C C 141 169.500 171.891 -2.391 1 1 1505 . 8 1 1 A 141 141 GLY CA C 141 44.300 45.831 -1.531 1 1 1506 . 8 1 1 A 141 141 GLY N N 141 110.300 109.296 1.004 1 1 1507 . 8 1 1 A 142 142 ALA H H 142 8.280 8.123 0.157 1 1 1508 . 8 1 1 A 142 142 ALA HA H 142 4.260 4.322 -0.062 1 1 1512 . 8 1 1 A 142 142 ALA C C 142 177.200 176.770 0.430 1 1 1513 . 8 1 1 A 142 142 ALA CA C 142 52.100 51.839 0.261 1 1 1514 . 8 1 1 A 142 142 ALA CB C 142 17.200 18.181 -0.981 1 1 1515 . 8 1 1 A 142 142 ALA N N 142 121.800 124.721 -2.921 1 1 1516 . 8 1 1 A 143 143 ALA H H 143 8.520 8.364 0.156 1 1 1517 . 8 1 1 A 143 143 ALA HA H 143 4.670 4.417 0.253 1 1 1521 . 8 1 1 A 143 143 ALA C C 143 178.100 177.729 0.371 1 1 1522 . 8 1 1 A 143 143 ALA CA C 143 52.500 52.794 -0.294 1 1 1523 . 8 1 1 A 143 143 ALA CB C 143 21.200 19.168 2.032 1 1 1524 . 8 1 1 A 143 143 ALA N N 143 130.000 124.451 5.549 1 1 1525 . 8 1 1 A 144 144 THR H H 144 7.590 8.275 -0.685 1 1 1526 . 8 1 1 A 144 144 THR HA H 144 4.710 4.866 -0.156 1 1 1531 . 8 1 1 A 144 144 THR CA C 144 58.200 59.751 -1.551 1 1 1532 . 8 1 1 A 144 144 THR CB C 144 68.100 69.301 -1.201 1 1 1534 . 8 1 1 A 144 144 THR N N 144 110.000 113.562 -3.562 1 1 1535 . 8 1 1 A 145 145 PRO HA H 145 4.020 4.561 -0.541 1 1 1542 . 8 1 1 A 145 145 PRO C C 145 176.700 175.804 0.896 1 1 1543 . 8 1 1 A 145 145 PRO CA C 145 62.600 63.100 -0.500 1 1 1544 . 8 1 1 A 145 145 PRO CB C 145 33.000 33.010 -0.010 1 1 1547 . 8 1 1 A 146 146 GLY H H 146 8.850 8.139 0.711 1 1 1548 . 8 1 1 A 146 146 GLY HA2 H 146 3.790 4.125 -0.335 1 1 1549 . 8 1 1 A 146 146 GLY HA3 H 146 4.360 4.131 0.229 1 1 1550 . 8 1 1 A 146 146 GLY C C 146 172.500 172.221 0.279 1 1 1551 . 8 1 1 A 146 146 GLY CA C 146 44.200 44.363 -0.163 1 1 1552 . 8 1 1 A 146 146 GLY N N 146 107.700 107.481 0.219 1 1 1553 . 8 1 1 A 147 147 ALA H H 147 8.360 8.150 0.210 1 1 1554 . 8 1 1 A 147 147 ALA HA H 147 4.160 4.439 -0.279 1 1 1558 . 8 1 1 A 147 147 ALA C C 147 177.900 177.181 0.719 1 1 1559 . 8 1 1 A 147 147 ALA CA C 147 54.200 52.018 2.182 1 1 1560 . 8 1 1 A 147 147 ALA CB C 147 19.400 19.986 -0.586 1 1 1561 . 8 1 1 A 147 147 ALA N N 147 122.500 122.325 0.175 1 1 1562 . 8 1 1 A 148 148 ALA H H 148 8.660 8.648 0.012 1 1 1563 . 8 1 1 A 148 148 ALA HA H 148 4.940 4.745 0.195 1 1 1567 . 8 1 1 A 148 148 ALA C C 148 173.800 176.166 -2.366 1 1 1568 . 8 1 1 A 148 148 ALA CA C 148 51.200 51.318 -0.118 1 1 1569 . 8 1 1 A 148 148 ALA CB C 148 18.300 19.186 -0.886 1 1 1570 . 8 1 1 A 148 148 ALA N N 148 129.300 121.369 7.931 1 1 1571 . 8 1 1 A 149 149 ASN H H 149 8.820 8.977 -0.157 1 1 1572 . 8 1 1 A 149 149 ASN HA H 149 5.640 5.562 0.078 1 1 1577 . 8 1 1 A 149 149 ASN C C 149 174.400 174.215 0.185 1 1 1578 . 8 1 1 A 149 149 ASN CA C 149 51.300 51.978 -0.678 1 1 1579 . 8 1 1 A 149 149 ASN CB C 149 40.400 42.653 -2.253 1 1 1580 . 8 1 1 A 149 149 ASN N N 149 121.200 121.384 -0.184 1 1 1582 . 8 1 1 A 150 150 ALA H H 150 9.100 9.319 -0.219 1 1 1583 . 8 1 1 A 150 150 ALA HA H 150 4.890 4.911 -0.021 1 1 1587 . 8 1 1 A 150 150 ALA C C 150 174.600 175.048 -0.448 1 1 1588 . 8 1 1 A 150 150 ALA CA C 150 52.200 51.461 0.739 1 1 1589 . 8 1 1 A 150 150 ALA CB C 150 25.100 24.127 0.973 1 1 1590 . 8 1 1 A 150 150 ALA N N 150 122.600 122.168 0.432 1 1 1591 . 8 1 1 A 151 151 ASP H H 151 9.010 8.930 0.080 1 1 1592 . 8 1 1 A 151 151 ASP HA H 151 5.870 5.467 0.403 1 1 1595 . 8 1 1 A 151 151 ASP C C 151 174.100 174.508 -0.408 1 1 1596 . 8 1 1 A 151 151 ASP CA C 151 53.400 53.508 -0.108 1 1 1597 . 8 1 1 A 151 151 ASP CB C 151 45.300 41.489 3.811 1 1 1598 . 8 1 1 A 151 151 ASP N N 151 120.000 117.071 2.929 1 1 1599 . 8 1 1 A 152 152 ALA H H 152 8.870 8.759 0.111 1 1 1600 . 8 1 1 A 152 152 ALA HA H 152 5.160 4.666 0.494 1 1 1604 . 8 1 1 A 152 152 ALA C C 152 176.400 177.209 -0.809 1 1 1605 . 8 1 1 A 152 152 ALA CA C 152 51.200 52.115 -0.915 1 1 1606 . 8 1 1 A 152 152 ALA CB C 152 23.400 20.634 2.766 1 1 1607 . 8 1 1 A 152 152 ALA N N 152 120.700 126.556 -5.856 1 1 1608 . 8 1 1 A 153 153 THR H H 153 8.830 8.998 -0.168 1 1 1609 . 8 1 1 A 153 153 THR HA H 153 5.350 5.207 0.143 1 1 1614 . 8 1 1 A 153 153 THR C C 153 173.900 174.085 -0.185 1 1 1615 . 8 1 1 A 153 153 THR CA C 153 60.100 59.263 0.837 1 1 1616 . 8 1 1 A 153 153 THR CB C 153 71.900 71.863 0.037 1 1 1618 . 8 1 1 A 153 153 THR N N 153 111.300 109.466 1.834 1 1 1619 . 8 1 1 A 154 154 PHE H H 154 8.460 8.583 -0.123 1 1 1620 . 8 1 1 A 154 154 PHE HA H 154 5.760 5.577 0.183 1 1 1621 . 8 1 1 A 154 154 PHE C C 154 174.500 173.719 0.781 1 1 1622 . 8 1 1 A 154 154 PHE CA C 154 55.600 54.664 0.936 1 1 1623 . 8 1 1 A 154 154 PHE CB C 154 42.300 41.893 0.407 1 1 1625 . 8 1 1 A 154 154 PHE N N 154 114.500 117.527 -3.027 1 1 1626 . 8 1 1 A 155 155 LYS H H 155 8.780 8.748 0.032 1 1 1627 . 8 1 1 A 155 155 LYS HA H 155 4.810 4.994 -0.184 1 1 1632 . 8 1 1 A 155 155 LYS C C 155 174.800 176.159 -1.359 1 1 1633 . 8 1 1 A 155 155 LYS CA C 155 54.600 54.968 -0.368 1 1 1634 . 8 1 1 A 155 155 LYS CB C 155 36.800 35.480 1.320 1 1 1638 . 8 1 1 A 155 155 LYS N N 155 120.700 119.321 1.379 1 1 1639 . 8 1 1 A 156 156 VAL H H 156 8.690 8.787 -0.097 1 1 1640 . 8 1 1 A 156 156 VAL HA H 156 4.840 4.252 0.588 1 1 1648 . 8 1 1 A 156 156 VAL C C 156 173.200 175.507 -2.307 1 1 1649 . 8 1 1 A 156 156 VAL CA C 156 60.900 62.326 -1.426 1 1 1650 . 8 1 1 A 156 156 VAL CB C 156 34.100 31.775 2.325 1 1 1653 . 8 1 1 A 156 156 VAL N N 156 120.300 125.482 -5.182 1 1 1654 . 8 1 1 A 157 157 GLN H H 157 9.040 8.644 0.396 1 1 1655 . 8 1 1 A 157 157 GLN HA H 157 5.130 4.988 0.142 1 1 1662 . 8 1 1 A 157 157 GLN C C 157 174.300 174.576 -0.276 1 1 1663 . 8 1 1 A 157 157 GLN CA C 157 53.500 54.480 -0.980 1 1 1664 . 8 1 1 A 157 157 GLN CB C 157 34.500 29.113 5.387 1 1 1666 . 8 1 1 A 157 157 GLN N N 157 126.200 126.272 -0.072 1 1 1668 . 8 1 1 A 158 158 TYR H H 158 9.130 8.554 0.576 1 1 1669 . 8 1 1 A 158 158 TYR HA H 158 5.310 4.886 0.424 1 1 1672 . 8 1 1 A 158 158 TYR C C 158 175.800 175.708 0.092 1 1 1673 . 8 1 1 A 158 158 TYR CA C 158 56.800 58.784 -1.984 1 1 1674 . 8 1 1 A 158 158 TYR CB C 158 40.600 39.600 1.000 1 1 1677 . 8 1 1 A 158 158 TYR N N 158 126.400 126.255 0.145 1 1 1678 . 8 1 1 A 159 159 GLN H H 159 8.580 8.751 -0.171 1 1 1679 . 8 1 1 A 159 159 GLN HA H 159 4.890 4.787 0.103 1 1 1686 . 8 1 1 A 159 159 GLN C C 159 175.800 175.023 0.777 1 1 1687 . 8 1 1 A 159 159 GLN CA C 159 54.800 54.469 0.331 1 1 1688 . 8 1 1 A 159 159 GLN CB C 159 32.500 31.975 0.525 1 1 1690 . 8 1 1 A 159 159 GLN N N 159 119.700 118.027 1.673 1 1 1692 . 8 1 1 A 160 160 GLY H H 160 8.740 8.333 0.407 1 1 1693 . 8 1 1 A 160 160 GLY HA2 H 160 4.120 4.018 0.102 1 1 1694 . 8 1 1 A 160 160 GLY HA3 H 160 4.180 4.023 0.157 1 1 1695 . 8 1 1 A 160 160 GLY C C 160 174.800 175.197 -0.397 1 1 1696 . 8 1 1 A 160 160 GLY CA C 160 45.400 45.319 0.081 1 1 1697 . 8 1 1 A 160 160 GLY N N 160 109.800 107.169 2.631 1 1 1698 . 8 1 1 A 161 161 GLY H H 161 8.560 7.968 0.592 1 1 1699 . 8 1 1 A 161 161 GLY C C 161 175.300 174.623 0.677 1 1 1700 . 8 1 1 A 161 161 GLY CA C 161 45.100 44.269 0.831 1 1 1701 . 8 1 1 A 161 161 GLY N N 161 109.200 108.453 0.747 1 1 1702 . 8 1 1 A 162 162 GLY H H 162 8.480 8.226 0.254 1 1 1703 . 8 1 1 A 162 162 GLY HA2 H 162 4.040 4.014 0.026 1 1 1704 . 8 1 1 A 162 162 GLY HA3 H 162 3.910 4.015 -0.105 1 1 1705 . 8 1 1 A 162 162 GLY C C 162 175.400 174.886 0.514 1 1 1706 . 8 1 1 A 162 162 GLY CA C 162 45.800 45.436 0.364 1 1 1707 . 8 1 1 A 162 162 GLY N N 162 108.700 108.313 0.387 1 1 1708 . 8 1 1 A 163 163 GLY H H 163 8.500 7.969 0.531 1 1 1709 . 8 1 1 A 163 163 GLY HA2 H 163 3.960 3.898 0.062 1 1 1710 . 8 1 1 A 163 163 GLY HA3 H 163 3.980 3.898 0.082 1 1 1711 . 8 1 1 A 163 163 GLY C C 163 175.400 174.803 0.597 1 1 1712 . 8 1 1 A 163 163 GLY CA C 163 45.700 46.888 -1.188 1 1 1713 . 8 1 1 A 163 163 GLY N N 163 109.000 108.301 0.699 1 1 1714 . 8 1 1 A 164 164 GLY H H 164 8.290 7.973 0.317 1 1 1715 . 8 1 1 A 164 164 GLY HA2 H 164 3.890 4.180 -0.290 1 1 1716 . 8 1 1 A 164 164 GLY HA3 H 164 3.980 4.181 -0.201 1 1 1717 . 8 1 1 A 164 164 GLY C C 164 175.100 174.504 0.596 1 1 1718 . 8 1 1 A 164 164 GLY CA C 164 45.700 46.005 -0.305 1 1 1719 . 8 1 1 A 164 164 GLY N N 164 109.100 112.720 -3.620 1 1 1720 . 8 1 1 A 165 165 GLY H H 165 8.210 8.503 -0.293 1 1 1721 . 8 1 1 A 165 165 GLY HA2 H 165 3.950 3.831 0.119 1 1 1722 . 8 1 1 A 165 165 GLY HA3 H 165 3.920 3.832 0.088 1 1 1723 . 8 1 1 A 165 165 GLY C C 165 173.900 174.210 -0.310 1 1 1724 . 8 1 1 A 165 165 GLY CA C 165 45.200 46.935 -1.735 1 1 1725 . 8 1 1 A 165 165 GLY N N 165 108.500 115.237 -6.737 1 1 1726 . 8 1 1 A 166 166 ALA H H 166 8.110 7.834 0.276 1 1 1727 . 8 1 1 A 166 166 ALA HA H 166 4.370 4.085 0.285 1 1 1731 . 8 1 1 A 166 166 ALA C C 166 177.100 176.579 0.521 1 1 1732 . 8 1 1 A 166 166 ALA CA C 166 52.100 53.182 -1.082 1 1 1733 . 8 1 1 A 166 166 ALA CB C 166 19.800 18.115 1.685 1 1 1734 . 8 1 1 A 166 166 ALA N N 166 123.800 119.654 4.146 1 1 1735 . 8 1 1 A 167 167 ALA H H 167 8.350 8.431 -0.081 1 1 1736 . 8 1 1 A 167 167 ALA HA H 167 4.840 4.241 0.599 1 1 1740 . 8 1 1 A 167 167 ALA C C 167 177.800 175.858 1.942 1 1 1741 . 8 1 1 A 167 167 ALA CA C 167 51.900 54.318 -2.418 1 1 1742 . 8 1 1 A 167 167 ALA CB C 167 20.000 17.960 2.040 1 1 1743 . 8 1 1 A 167 167 ALA N N 167 123.800 123.501 0.299 1 1 1744 . 8 1 1 A 168 168 THR H H 168 8.580 8.918 -0.338 1 1 1745 . 8 1 1 A 168 168 THR HA H 168 4.600 4.948 -0.348 1 1 1750 . 8 1 1 A 168 168 THR C C 168 173.300 173.403 -0.103 1 1 1751 . 8 1 1 A 168 168 THR CA C 168 61.900 61.844 0.056 1 1 1752 . 8 1 1 A 168 168 THR CB C 168 71.300 70.829 0.471 1 1 1754 . 8 1 1 A 168 168 THR N N 168 117.900 114.408 3.492 1 1 1755 . 8 1 1 A 169 169 THR H H 169 8.710 8.758 -0.048 1 1 1756 . 8 1 1 A 169 169 THR HA H 169 5.300 5.135 0.165 1 1 1761 . 8 1 1 A 169 169 THR C C 169 174.300 173.989 0.311 1 1 1762 . 8 1 1 A 169 169 THR CA C 169 61.700 61.945 -0.245 1 1 1763 . 8 1 1 A 169 169 THR CB C 169 70.000 68.574 1.426 1 1 1765 . 8 1 1 A 169 169 THR N N 169 122.400 123.447 -1.047 1 1 1766 . 8 1 1 A 170 170 VAL H H 170 9.280 8.911 0.369 1 1 1767 . 8 1 1 A 170 170 VAL HA H 170 4.770 4.892 -0.122 1 1 1775 . 8 1 1 A 170 170 VAL C C 170 175.300 175.494 -0.194 1 1 1776 . 8 1 1 A 170 170 VAL CA C 170 59.000 59.533 -0.533 1 1 1777 . 8 1 1 A 170 170 VAL CB C 170 35.500 34.334 1.166 1 1 1780 . 8 1 1 A 170 170 VAL N N 170 120.400 121.018 -0.618 1 1 1781 . 8 1 1 A 171 171 ASN H H 171 8.770 8.758 0.012 1 1 1782 . 8 1 1 A 171 171 ASN HA H 171 4.470 4.564 -0.094 1 1 1785 . 8 1 1 A 171 171 ASN C C 171 174.900 175.923 -1.023 1 1 1786 . 8 1 1 A 171 171 ASN CA C 171 54.700 54.036 0.664 1 1 1787 . 8 1 1 A 171 171 ASN CB C 171 38.200 37.996 0.204 1 1 1788 . 8 1 1 A 171 171 ASN N N 171 121.100 122.598 -1.498 1 1 1790 . 8 1 1 A 172 172 GLY H H 172 8.390 8.478 -0.088 1 1 1791 . 8 1 1 A 172 172 GLY HA2 H 172 2.980 3.341 -0.361 1 1 1792 . 8 1 1 A 172 172 GLY HA3 H 172 3.970 3.669 0.301 1 1 1793 . 8 1 1 A 172 172 GLY C C 172 171.500 173.703 -2.203 1 1 1794 . 8 1 1 A 172 172 GLY CA C 172 46.000 46.321 -0.321 1 1 1795 . 8 1 1 A 172 172 GLY N N 172 113.000 112.226 0.774 1 1 1796 . 8 1 1 A 173 173 GLY H H 173 5.960 5.806 0.154 1 1 1797 . 8 1 1 A 173 173 GLY HA2 H 173 3.790 3.372 0.418 1 1 1798 . 8 1 1 A 173 173 GLY HA3 H 173 4.110 3.576 0.534 1 1 1799 . 8 1 1 A 173 173 GLY C C 173 172.000 170.808 1.192 1 1 1800 . 8 1 1 A 173 173 GLY CA C 173 46.400 45.340 1.060 1 1 1801 . 8 1 1 A 173 173 GLY N N 173 106.500 103.484 3.016 1 1 1802 . 8 1 1 A 174 174 THR H H 174 8.600 8.578 0.022 1 1 1803 . 8 1 1 A 174 174 THR HA H 174 4.890 4.993 -0.103 1 1 1808 . 8 1 1 A 174 174 THR C C 174 172.300 173.559 -1.259 1 1 1809 . 8 1 1 A 174 174 THR CA C 174 62.000 61.399 0.601 1 1 1810 . 8 1 1 A 174 174 THR CB C 174 71.400 70.787 0.613 1 1 1812 . 8 1 1 A 174 174 THR N N 174 118.800 115.616 3.184 1 1 1813 . 8 1 1 A 175 175 VAL H H 175 9.140 9.001 0.139 1 1 1814 . 8 1 1 A 175 175 VAL HA H 175 4.150 4.501 -0.351 1 1 1822 . 8 1 1 A 175 175 VAL C C 175 172.500 174.622 -2.122 1 1 1823 . 8 1 1 A 175 175 VAL CA C 175 60.400 61.160 -0.760 1 1 1824 . 8 1 1 A 175 175 VAL CB C 175 33.800 32.700 1.100 1 1 1827 . 8 1 1 A 175 175 VAL N N 175 124.600 126.834 -2.234 1 1 1828 . 8 1 1 A 176 176 HIS H H 176 8.470 8.961 -0.491 1 1 1829 . 8 1 1 A 176 176 HIS HA H 176 5.170 4.800 0.370 1 1 1834 . 8 1 1 A 176 176 HIS C C 176 173.300 174.512 -1.212 1 1 1835 . 8 1 1 A 176 176 HIS CA C 176 53.000 55.050 -2.050 1 1 1836 . 8 1 1 A 176 176 HIS CB C 176 28.700 28.793 -0.093 1 1 1839 . 8 1 1 A 176 176 HIS N N 176 123.100 126.014 -2.914 1 1 1840 . 8 1 1 A 177 177 PHE H H 177 9.650 8.776 0.874 1 1 1841 . 8 1 1 A 177 177 PHE HA H 177 5.160 4.829 0.331 1 1 1845 . 8 1 1 A 177 177 PHE C C 177 176.600 176.045 0.555 1 1 1846 . 8 1 1 A 177 177 PHE CA C 177 57.500 58.746 -1.246 1 1 1847 . 8 1 1 A 177 177 PHE CB C 177 39.600 40.182 -0.582 1 1 1851 . 8 1 1 A 177 177 PHE N N 177 123.700 124.139 -0.439 1 1 1852 . 8 1 1 A 178 178 LYS H H 178 8.860 8.761 0.099 1 1 1853 . 8 1 1 A 178 178 LYS HA H 178 5.600 5.371 0.229 1 1 1862 . 8 1 1 A 178 178 LYS C C 178 174.700 175.489 -0.789 1 1 1863 . 8 1 1 A 178 178 LYS CA C 178 54.200 54.952 -0.752 1 1 1864 . 8 1 1 A 178 178 LYS CB C 178 37.000 36.639 0.361 1 1 1868 . 8 1 1 A 178 178 LYS N N 178 124.000 121.807 2.193 1 1 1869 . 8 1 1 A 179 179 GLY H H 179 7.970 8.492 -0.522 1 1 1870 . 8 1 1 A 179 179 GLY HA2 H 179 4.010 4.311 -0.301 1 1 1871 . 8 1 1 A 179 179 GLY HA3 H 179 5.040 4.428 0.612 1 1 1872 . 8 1 1 A 179 179 GLY C C 179 172.900 171.149 1.751 1 1 1873 . 8 1 1 A 179 179 GLY CA C 179 46.600 45.002 1.598 1 1 1874 . 8 1 1 A 179 179 GLY N N 179 110.200 108.606 1.594 1 1 1875 . 8 1 1 A 180 180 GLU H H 180 8.470 8.161 0.309 1 1 1876 . 8 1 1 A 180 180 GLU HA H 180 4.660 4.806 -0.146 1 1 1879 . 8 1 1 A 180 180 GLU C C 180 173.100 173.609 -0.509 1 1 1880 . 8 1 1 A 180 180 GLU CA C 180 55.600 55.528 0.072 1 1 1881 . 8 1 1 A 180 180 GLU CB C 180 34.200 33.297 0.903 1 1 1883 . 8 1 1 A 180 180 GLU N N 180 117.000 120.248 -3.248 1 1 1884 . 8 1 1 A 181 181 VAL H H 181 8.580 8.552 0.028 1 1 1885 . 8 1 1 A 181 181 VAL HA H 181 4.970 4.916 0.054 1 1 1893 . 8 1 1 A 181 181 VAL C C 181 177.100 175.236 1.864 1 1 1894 . 8 1 1 A 181 181 VAL CA C 181 60.200 60.922 -0.722 1 1 1895 . 8 1 1 A 181 181 VAL CB C 181 31.800 34.986 -3.186 1 1 1898 . 8 1 1 A 181 181 VAL N N 181 124.000 121.779 2.221 1 1 1899 . 8 1 1 A 182 182 VAL H H 182 9.100 9.278 -0.178 1 1 1900 . 8 1 1 A 182 182 VAL HA H 182 4.730 4.723 0.007 1 1 1908 . 8 1 1 A 182 182 VAL C C 182 175.000 175.364 -0.364 1 1 1909 . 8 1 1 A 182 182 VAL CA C 182 59.100 58.877 0.223 1 1 1910 . 8 1 1 A 182 182 VAL CB C 182 35.000 34.860 0.140 1 1 1913 . 8 1 1 A 182 182 VAL N N 182 122.200 121.598 0.602 1 1 1914 . 8 1 1 A 183 183 ASN H H 183 8.960 8.798 0.162 1 1 1915 . 8 1 1 A 183 183 ASN HA H 183 4.870 4.836 0.034 1 1 1920 . 8 1 1 A 183 183 ASN C C 183 174.300 174.628 -0.328 1 1 1921 . 8 1 1 A 183 183 ASN CA C 183 53.400 52.413 0.987 1 1 1922 . 8 1 1 A 183 183 ASN CB C 183 38.800 38.349 0.451 1 1 1923 . 8 1 1 A 183 183 ASN N N 183 121.300 122.293 -0.993 1 1 1 . 9 1 1 A 3 3 THR H H 3 8.300 8.726 -0.426 1 1 2 . 9 1 1 A 3 3 THR HA H 3 4.410 4.836 -0.426 1 1 7 . 9 1 1 A 3 3 THR C C 3 174.700 173.690 1.010 1 1 8 . 9 1 1 A 3 3 THR CA C 3 61.600 61.644 -0.044 1 1 9 . 9 1 1 A 3 3 THR CB C 3 69.900 71.446 -1.546 1 1 11 . 9 1 1 A 3 3 THR N N 3 114.000 117.703 -3.703 1 1 12 . 9 1 1 A 4 4 THR H H 4 8.230 8.865 -0.635 1 1 13 . 9 1 1 A 4 4 THR HA H 4 4.420 4.930 -0.510 1 1 18 . 9 1 1 A 4 4 THR C C 4 174.600 173.692 0.908 1 1 19 . 9 1 1 A 4 4 THR CA C 4 61.600 61.705 -0.105 1 1 20 . 9 1 1 A 4 4 THR CB C 4 70.000 71.163 -1.163 1 1 22 . 9 1 1 A 4 4 THR N N 4 116.800 121.239 -4.439 1 1 23 . 9 1 1 A 5 5 VAL H H 5 8.280 8.684 -0.404 1 1 24 . 9 1 1 A 5 5 VAL HA H 5 4.130 3.992 0.138 1 1 26 . 9 1 1 A 5 5 VAL C C 5 176.100 175.824 0.276 1 1 27 . 9 1 1 A 5 5 VAL CA C 5 62.400 63.256 -0.856 1 1 28 . 9 1 1 A 5 5 VAL CB C 5 32.800 32.036 0.764 1 1 30 . 9 1 1 A 5 5 VAL N N 5 122.500 127.650 -5.150 1 1 31 . 9 1 1 A 6 6 ASN H H 6 8.610 8.983 -0.373 1 1 32 . 9 1 1 A 6 6 ASN HA H 6 4.710 4.384 0.326 1 1 37 . 9 1 1 A 6 6 ASN C C 6 175.800 176.361 -0.561 1 1 38 . 9 1 1 A 6 6 ASN CA C 6 53.400 54.889 -1.489 1 1 39 . 9 1 1 A 6 6 ASN CB C 6 38.900 37.683 1.217 1 1 40 . 9 1 1 A 6 6 ASN N N 6 122.600 125.357 -2.757 1 1 42 . 9 1 1 A 7 7 GLY H H 7 8.450 8.338 0.112 1 1 43 . 9 1 1 A 7 7 GLY C C 7 174.800 174.338 0.462 1 1 44 . 9 1 1 A 7 7 GLY CA C 7 45.600 47.356 -1.756 1 1 45 . 9 1 1 A 7 7 GLY N N 7 109.700 114.688 -4.988 1 1 46 . 9 1 1 A 8 8 GLY H H 8 8.280 7.903 0.377 1 1 47 . 9 1 1 A 8 8 GLY HA2 H 8 3.960 4.159 -0.199 1 1 48 . 9 1 1 A 8 8 GLY HA3 H 8 4.030 4.206 -0.176 1 1 49 . 9 1 1 A 8 8 GLY C C 8 174.200 171.467 2.733 1 1 50 . 9 1 1 A 8 8 GLY CA C 8 45.200 46.303 -1.103 1 1 51 . 9 1 1 A 8 8 GLY N N 8 108.500 108.188 0.312 1 1 52 . 9 1 1 A 9 9 THR H H 9 8.100 8.392 -0.292 1 1 53 . 9 1 1 A 9 9 THR HA H 9 4.320 4.773 -0.453 1 1 58 . 9 1 1 A 9 9 THR C C 9 174.500 174.195 0.305 1 1 59 . 9 1 1 A 9 9 THR CA C 9 62.000 60.943 1.057 1 1 60 . 9 1 1 A 9 9 THR CB C 9 69.900 71.197 -1.297 1 1 62 . 9 1 1 A 9 9 THR N N 9 114.300 117.719 -3.419 1 1 63 . 9 1 1 A 10 10 VAL H H 10 8.170 8.763 -0.593 1 1 64 . 9 1 1 A 10 10 VAL HA H 10 4.040 3.751 0.289 1 1 72 . 9 1 1 A 10 10 VAL C C 10 175.600 176.345 -0.745 1 1 73 . 9 1 1 A 10 10 VAL CA C 10 62.200 63.030 -0.830 1 1 74 . 9 1 1 A 10 10 VAL CB C 10 32.800 30.052 2.748 1 1 77 . 9 1 1 A 10 10 VAL N N 10 122.900 126.612 -3.712 1 1 78 . 9 1 1 A 11 11 HIS H H 11 8.420 7.718 0.702 1 1 79 . 9 1 1 A 11 11 HIS HA H 11 4.670 4.535 0.135 1 1 84 . 9 1 1 A 11 11 HIS CA C 11 55.700 55.068 0.632 1 1 85 . 9 1 1 A 11 11 HIS CB C 11 30.500 28.927 1.573 1 1 88 . 9 1 1 A 11 11 HIS N N 11 123.300 118.105 5.195 1 1 89 . 9 1 1 A 12 12 PHE H H 12 8.310 8.267 0.043 1 1 90 . 9 1 1 A 12 12 PHE HA H 12 4.620 4.613 0.007 1 1 94 . 9 1 1 A 12 12 PHE C C 12 175.500 176.426 -0.926 1 1 95 . 9 1 1 A 12 12 PHE CA C 12 57.700 57.880 -0.180 1 1 96 . 9 1 1 A 12 12 PHE CB C 12 39.900 40.622 -0.722 1 1 100 . 9 1 1 A 12 12 PHE N N 12 122.300 119.692 2.608 1 1 101 . 9 1 1 A 13 13 LYS H H 13 8.450 8.010 0.440 1 1 102 . 9 1 1 A 13 13 LYS HA H 13 4.230 4.315 -0.085 1 1 107 . 9 1 1 A 13 13 LYS C C 13 176.600 177.706 -1.106 1 1 108 . 9 1 1 A 13 13 LYS CA C 13 56.500 56.768 -0.268 1 1 109 . 9 1 1 A 13 13 LYS CB C 13 32.900 32.132 0.768 1 1 113 . 9 1 1 A 13 13 LYS N N 13 124.300 120.359 3.941 1 1 114 . 9 1 1 A 14 14 GLY H H 14 7.940 8.124 -0.184 1 1 115 . 9 1 1 A 14 14 GLY HA2 H 14 3.860 4.075 -0.215 1 1 116 . 9 1 1 A 14 14 GLY HA3 H 14 3.920 4.083 -0.163 1 1 117 . 9 1 1 A 14 14 GLY C C 14 173.800 173.030 0.770 1 1 118 . 9 1 1 A 14 14 GLY CA C 14 45.200 45.773 -0.573 1 1 119 . 9 1 1 A 14 14 GLY N N 14 109.800 107.539 2.261 1 1 120 . 9 1 1 A 15 15 GLU H H 15 8.220 7.600 0.620 1 1 121 . 9 1 1 A 15 15 GLU HA H 15 4.290 4.613 -0.323 1 1 126 . 9 1 1 A 15 15 GLU C C 15 176.400 176.361 0.039 1 1 127 . 9 1 1 A 15 15 GLU CA C 15 56.500 55.368 1.132 1 1 128 . 9 1 1 A 15 15 GLU CB C 15 30.500 32.792 -2.292 1 1 130 . 9 1 1 A 15 15 GLU N N 15 120.600 119.700 0.900 1 1 131 . 9 1 1 A 16 16 VAL H H 16 8.300 8.693 -0.393 1 1 132 . 9 1 1 A 16 16 VAL HA H 16 4.110 3.862 0.248 1 1 140 . 9 1 1 A 16 16 VAL C C 16 176.000 175.574 0.426 1 1 141 . 9 1 1 A 16 16 VAL CA C 16 62.300 65.007 -2.707 1 1 142 . 9 1 1 A 16 16 VAL CB C 16 32.900 31.971 0.929 1 1 145 . 9 1 1 A 16 16 VAL N N 16 122.100 123.587 -1.487 1 1 146 . 9 1 1 A 17 17 VAL H H 17 8.290 7.845 0.445 1 1 147 . 9 1 1 A 17 17 VAL HA H 17 4.110 3.643 0.467 1 1 149 . 9 1 1 A 17 17 VAL C C 17 175.500 174.505 0.995 1 1 150 . 9 1 1 A 17 17 VAL CA C 17 62.000 62.886 -0.886 1 1 151 . 9 1 1 A 17 17 VAL CB C 17 32.800 30.109 2.691 1 1 153 . 9 1 1 A 17 17 VAL N N 17 124.800 120.124 4.676 1 1 154 . 9 1 1 A 18 18 ASN H H 18 8.470 7.673 0.797 1 1 155 . 9 1 1 A 18 18 ASN HA H 18 4.710 5.246 -0.536 1 1 160 . 9 1 1 A 18 18 ASN C C 18 174.100 173.625 0.475 1 1 161 . 9 1 1 A 18 18 ASN CA C 18 52.800 52.296 0.504 1 1 162 . 9 1 1 A 18 18 ASN CB C 18 39.000 40.318 -1.318 1 1 163 . 9 1 1 A 18 18 ASN N N 18 123.200 118.216 4.984 1 1 165 . 9 1 1 A 19 19 ALA H H 19 8.140 8.645 -0.505 1 1 166 . 9 1 1 A 19 19 ALA HA H 19 4.080 4.636 -0.556 1 1 170 . 9 1 1 A 19 19 ALA C C 19 178.000 177.627 0.373 1 1 171 . 9 1 1 A 19 19 ALA CA C 19 51.700 50.169 1.531 1 1 172 . 9 1 1 A 19 19 ALA CB C 19 20.300 21.976 -1.676 1 1 173 . 9 1 1 A 19 19 ALA N N 19 123.400 127.057 -3.657 1 1 174 . 9 1 1 A 20 20 ALA H H 20 6.480 6.719 -0.239 1 1 175 . 9 1 1 A 20 20 ALA HA H 20 3.710 3.841 -0.131 1 1 179 . 9 1 1 A 20 20 ALA C C 20 176.000 176.852 -0.852 1 1 180 . 9 1 1 A 20 20 ALA CA C 20 54.700 53.569 1.131 1 1 181 . 9 1 1 A 20 20 ALA CB C 20 21.000 18.508 2.492 1 1 182 . 9 1 1 A 20 20 ALA N N 20 120.900 122.199 -1.299 1 1 183 . 9 1 1 A 21 21 CYS H H 21 6.330 7.446 -1.116 1 1 184 . 9 1 1 A 21 21 CYS HA H 21 4.780 5.155 -0.375 1 1 187 . 9 1 1 A 21 21 CYS C C 21 172.500 171.927 0.573 1 1 188 . 9 1 1 A 21 21 CYS CA C 21 53.100 54.983 -1.883 1 1 189 . 9 1 1 A 21 21 CYS CB C 21 50.500 47.759 2.741 1 1 190 . 9 1 1 A 21 21 CYS N N 21 107.800 114.218 -6.418 1 1 191 . 9 1 1 A 22 22 ALA H H 22 8.910 8.749 0.161 1 1 192 . 9 1 1 A 22 22 ALA HA H 22 4.770 4.553 0.217 1 1 196 . 9 1 1 A 22 22 ALA C C 22 176.800 176.779 0.021 1 1 197 . 9 1 1 A 22 22 ALA CA C 22 50.600 51.274 -0.674 1 1 198 . 9 1 1 A 22 22 ALA CB C 22 21.600 19.160 2.440 1 1 199 . 9 1 1 A 22 22 ALA N N 22 123.900 125.577 -1.677 1 1 200 . 9 1 1 A 23 23 VAL H H 23 8.820 8.525 0.295 1 1 201 . 9 1 1 A 23 23 VAL HA H 23 4.100 4.126 -0.026 1 1 209 . 9 1 1 A 23 23 VAL C C 23 176.500 175.246 1.254 1 1 210 . 9 1 1 A 23 23 VAL CA C 23 63.700 62.965 0.735 1 1 211 . 9 1 1 A 23 23 VAL CB C 23 31.500 32.584 -1.084 1 1 214 . 9 1 1 A 23 23 VAL N N 23 123.600 126.467 -2.867 1 1 215 . 9 1 1 A 24 24 ASP H H 24 8.660 8.702 -0.042 1 1 216 . 9 1 1 A 24 24 ASP HA H 24 4.310 4.714 -0.404 1 1 219 . 9 1 1 A 24 24 ASP C C 24 177.600 177.352 0.248 1 1 220 . 9 1 1 A 24 24 ASP CA C 24 56.100 54.156 1.944 1 1 221 . 9 1 1 A 24 24 ASP CB C 24 44.700 42.023 2.677 1 1 222 . 9 1 1 A 24 24 ASP N N 24 128.000 128.268 -0.268 1 1 223 . 9 1 1 A 25 25 ALA H H 25 8.870 8.949 -0.079 1 1 224 . 9 1 1 A 25 25 ALA HA H 25 4.150 4.086 0.064 1 1 228 . 9 1 1 A 25 25 ALA C C 25 180.200 178.194 2.006 1 1 229 . 9 1 1 A 25 25 ALA CA C 25 55.800 54.609 1.191 1 1 230 . 9 1 1 A 25 25 ALA CB C 25 18.700 18.523 0.177 1 1 231 . 9 1 1 A 25 25 ALA N N 25 127.900 126.789 1.111 1 1 232 . 9 1 1 A 26 26 GLY H H 26 8.700 8.375 0.325 1 1 233 . 9 1 1 A 26 26 GLY HA2 H 26 4.170 3.973 0.197 1 1 234 . 9 1 1 A 26 26 GLY HA3 H 26 3.850 3.977 -0.127 1 1 235 . 9 1 1 A 26 26 GLY C C 26 175.100 174.690 0.410 1 1 236 . 9 1 1 A 26 26 GLY CA C 26 46.200 45.803 0.397 1 1 237 . 9 1 1 A 26 26 GLY N N 26 105.300 107.133 -1.833 1 1 238 . 9 1 1 A 27 27 SER H H 27 8.300 8.268 0.032 1 1 239 . 9 1 1 A 27 27 SER HA H 27 4.910 4.815 0.095 1 1 242 . 9 1 1 A 27 27 SER C C 27 174.600 176.528 -1.928 1 1 243 . 9 1 1 A 27 27 SER CA C 27 59.300 59.154 0.146 1 1 244 . 9 1 1 A 27 27 SER CB C 27 65.700 65.387 0.313 1 1 245 . 9 1 1 A 27 27 SER N N 27 113.400 116.105 -2.705 1 1 246 . 9 1 1 A 28 28 VAL H H 28 7.290 8.364 -1.074 1 1 247 . 9 1 1 A 28 28 VAL HA H 28 4.070 3.960 0.110 1 1 255 . 9 1 1 A 28 28 VAL C C 28 176.300 176.010 0.290 1 1 256 . 9 1 1 A 28 28 VAL CA C 28 64.700 64.320 0.380 1 1 257 . 9 1 1 A 28 28 VAL CB C 28 32.700 32.298 0.402 1 1 260 . 9 1 1 A 28 28 VAL N N 28 119.000 120.314 -1.314 1 1 261 . 9 1 1 A 29 29 ASP H H 29 7.910 7.959 -0.049 1 1 262 . 9 1 1 A 29 29 ASP HA H 29 5.310 5.053 0.257 1 1 265 . 9 1 1 A 29 29 ASP C C 29 175.000 174.890 0.110 1 1 266 . 9 1 1 A 29 29 ASP CA C 29 54.500 53.517 0.983 1 1 267 . 9 1 1 A 29 29 ASP CB C 29 42.700 41.169 1.531 1 1 268 . 9 1 1 A 29 29 ASP N N 29 123.100 121.112 1.988 1 1 269 . 9 1 1 A 30 30 GLN H H 30 7.680 7.419 0.261 1 1 270 . 9 1 1 A 30 30 GLN HA H 30 4.840 5.032 -0.192 1 1 275 . 9 1 1 A 30 30 GLN C C 30 173.900 174.941 -1.041 1 1 276 . 9 1 1 A 30 30 GLN CA C 30 55.000 55.001 -0.001 1 1 277 . 9 1 1 A 30 30 GLN CB C 30 32.400 30.608 1.792 1 1 279 . 9 1 1 A 30 30 GLN N N 30 119.700 118.729 0.971 1 1 281 . 9 1 1 A 31 31 THR H H 31 8.960 8.720 0.240 1 1 282 . 9 1 1 A 31 31 THR HA H 31 5.160 4.918 0.242 1 1 287 . 9 1 1 A 31 31 THR C C 31 173.600 173.778 -0.178 1 1 288 . 9 1 1 A 31 31 THR CA C 31 62.000 61.889 0.111 1 1 289 . 9 1 1 A 31 31 THR CB C 31 70.300 68.968 1.332 1 1 291 . 9 1 1 A 31 31 THR N N 31 118.900 118.477 0.423 1 1 292 . 9 1 1 A 32 32 VAL H H 32 9.210 8.729 0.481 1 1 293 . 9 1 1 A 32 32 VAL HA H 32 4.070 4.075 -0.005 1 1 301 . 9 1 1 A 32 32 VAL C C 32 174.400 175.299 -0.899 1 1 302 . 9 1 1 A 32 32 VAL CA C 32 61.200 62.847 -1.647 1 1 303 . 9 1 1 A 32 32 VAL CB C 32 33.600 32.210 1.390 1 1 306 . 9 1 1 A 32 32 VAL N N 32 131.300 127.663 3.637 1 1 307 . 9 1 1 A 33 33 GLN H H 33 8.890 8.763 0.127 1 1 308 . 9 1 1 A 33 33 GLN HA H 33 4.760 5.045 -0.285 1 1 315 . 9 1 1 A 33 33 GLN C C 33 175.900 175.579 0.321 1 1 316 . 9 1 1 A 33 33 GLN CA C 33 54.400 54.620 -0.220 1 1 317 . 9 1 1 A 33 33 GLN CB C 33 27.500 30.662 -3.162 1 1 319 . 9 1 1 A 33 33 GLN N N 33 127.200 126.609 0.591 1 1 321 . 9 1 1 A 34 34 LEU H H 34 9.510 9.315 0.195 1 1 322 . 9 1 1 A 34 34 LEU HA H 34 4.290 4.308 -0.018 1 1 332 . 9 1 1 A 34 34 LEU C C 34 177.900 177.137 0.763 1 1 333 . 9 1 1 A 34 34 LEU CA C 34 56.200 55.480 0.720 1 1 334 . 9 1 1 A 34 34 LEU CB C 34 41.300 43.004 -1.704 1 1 338 . 9 1 1 A 34 34 LEU N N 34 126.800 125.617 1.183 1 1 339 . 9 1 1 A 35 35 GLY H H 35 8.310 7.562 0.748 1 1 340 . 9 1 1 A 35 35 GLY HA2 H 35 3.810 4.019 -0.209 1 1 341 . 9 1 1 A 35 35 GLY HA3 H 35 4.230 4.041 0.189 1 1 342 . 9 1 1 A 35 35 GLY C C 35 171.900 173.603 -1.703 1 1 343 . 9 1 1 A 35 35 GLY CA C 35 44.400 44.513 -0.113 1 1 344 . 9 1 1 A 35 35 GLY N N 35 106.500 106.968 -0.468 1 1 345 . 9 1 1 A 36 36 GLN H H 36 7.990 8.312 -0.322 1 1 346 . 9 1 1 A 36 36 GLN HA H 36 5.310 4.563 0.747 1 1 353 . 9 1 1 A 36 36 GLN C C 36 176.700 175.420 1.280 1 1 354 . 9 1 1 A 36 36 GLN CA C 36 54.500 56.144 -1.644 1 1 355 . 9 1 1 A 36 36 GLN CB C 36 30.100 29.036 1.064 1 1 357 . 9 1 1 A 36 36 GLN N N 36 115.700 120.083 -4.383 1 1 359 . 9 1 1 A 37 37 VAL H H 37 8.910 8.686 0.224 1 1 360 . 9 1 1 A 37 37 VAL HA H 37 4.500 4.334 0.166 1 1 368 . 9 1 1 A 37 37 VAL C C 37 174.700 176.031 -1.331 1 1 369 . 9 1 1 A 37 37 VAL CA C 37 60.200 61.881 -1.681 1 1 370 . 9 1 1 A 37 37 VAL CB C 37 34.800 32.410 2.390 1 1 373 . 9 1 1 A 37 37 VAL N N 37 124.300 125.926 -1.626 1 1 374 . 9 1 1 A 38 38 ARG H H 38 8.750 8.944 -0.194 1 1 375 . 9 1 1 A 38 38 ARG HA H 38 4.940 4.480 0.460 1 1 381 . 9 1 1 A 38 38 ARG C C 38 179.500 177.752 1.748 1 1 382 . 9 1 1 A 38 38 ARG CA C 38 55.700 56.002 -0.302 1 1 383 . 9 1 1 A 38 38 ARG CB C 38 30.700 30.834 -0.134 1 1 386 . 9 1 1 A 38 38 ARG N N 38 125.400 124.547 0.853 1 1 388 . 9 1 1 A 39 39 THR H H 39 8.820 9.070 -0.250 1 1 389 . 9 1 1 A 39 39 THR HA H 39 3.320 3.957 -0.637 1 1 394 . 9 1 1 A 39 39 THR C C 39 178.500 175.697 2.803 1 1 395 . 9 1 1 A 39 39 THR CA C 39 65.700 65.159 0.541 1 1 396 . 9 1 1 A 39 39 THR CB C 39 67.300 68.246 -0.946 1 1 398 . 9 1 1 A 39 39 THR N N 39 116.200 117.919 -1.719 1 1 399 . 9 1 1 A 40 40 ALA H H 40 8.060 7.829 0.231 1 1 400 . 9 1 1 A 40 40 ALA HA H 40 4.110 4.190 -0.080 1 1 404 . 9 1 1 A 40 40 ALA C C 40 178.900 177.787 1.113 1 1 405 . 9 1 1 A 40 40 ALA CA C 40 54.500 53.410 1.090 1 1 406 . 9 1 1 A 40 40 ALA CB C 40 18.800 18.161 0.639 1 1 407 . 9 1 1 A 40 40 ALA N N 40 121.200 123.833 -2.633 1 1 408 . 9 1 1 A 41 41 SER H H 41 7.580 8.166 -0.586 1 1 409 . 9 1 1 A 41 41 SER HA H 41 4.460 4.694 -0.234 1 1 412 . 9 1 1 A 41 41 SER C C 41 172.900 173.450 -0.550 1 1 413 . 9 1 1 A 41 41 SER CA C 41 59.400 58.024 1.376 1 1 414 . 9 1 1 A 41 41 SER CB C 41 63.700 64.367 -0.667 1 1 415 . 9 1 1 A 41 41 SER N N 41 112.300 112.998 -0.698 1 1 416 . 9 1 1 A 42 42 LEU H H 42 7.330 7.860 -0.530 1 1 417 . 9 1 1 A 42 42 LEU HA H 42 4.460 4.584 -0.124 1 1 427 . 9 1 1 A 42 42 LEU C C 42 174.400 175.878 -1.478 1 1 428 . 9 1 1 A 42 42 LEU CA C 42 52.100 53.911 -1.811 1 1 429 . 9 1 1 A 42 42 LEU CB C 42 43.800 42.932 0.868 1 1 433 . 9 1 1 A 42 42 LEU N N 42 124.500 122.607 1.893 1 1 434 . 9 1 1 A 43 43 ALA H H 43 7.520 8.587 -1.067 1 1 435 . 9 1 1 A 43 43 ALA HA H 43 4.550 4.572 -0.022 1 1 439 . 9 1 1 A 43 43 ALA C C 43 176.600 176.118 0.482 1 1 440 . 9 1 1 A 43 43 ALA CA C 43 53.300 51.451 1.849 1 1 441 . 9 1 1 A 43 43 ALA CB C 43 20.000 20.748 -0.748 1 1 442 . 9 1 1 A 43 43 ALA N N 43 118.200 124.197 -5.997 1 1 443 . 9 1 1 A 44 44 GLN H H 44 7.040 7.577 -0.537 1 1 444 . 9 1 1 A 44 44 GLN HA H 44 4.150 4.589 -0.439 1 1 449 . 9 1 1 A 44 44 GLN C C 44 172.800 173.387 -0.587 1 1 450 . 9 1 1 A 44 44 GLN CA C 44 53.400 54.207 -0.807 1 1 451 . 9 1 1 A 44 44 GLN CB C 44 31.600 31.916 -0.316 1 1 453 . 9 1 1 A 44 44 GLN N N 44 111.900 114.992 -3.092 1 1 455 . 9 1 1 A 45 45 GLU H H 45 8.490 8.614 -0.124 1 1 456 . 9 1 1 A 45 45 GLU HA H 45 3.680 3.908 -0.228 1 1 461 . 9 1 1 A 45 45 GLU C C 45 177.500 177.323 0.177 1 1 462 . 9 1 1 A 45 45 GLU CA C 45 57.100 58.130 -1.030 1 1 463 . 9 1 1 A 45 45 GLU CB C 45 28.500 29.334 -0.834 1 1 465 . 9 1 1 A 45 45 GLU N N 45 120.300 122.941 -2.641 1 1 466 . 9 1 1 A 46 46 GLY H H 46 8.520 8.469 0.051 1 1 467 . 9 1 1 A 46 46 GLY HA2 H 46 4.140 3.081 1.059 1 1 468 . 9 1 1 A 46 46 GLY HA3 H 46 3.050 3.797 -0.747 1 1 469 . 9 1 1 A 46 46 GLY C C 46 173.900 173.813 0.087 1 1 470 . 9 1 1 A 46 46 GLY CA C 46 44.400 44.751 -0.351 1 1 471 . 9 1 1 A 46 46 GLY N N 46 115.100 114.590 0.510 1 1 472 . 9 1 1 A 47 47 ALA H H 47 7.690 7.641 0.049 1 1 473 . 9 1 1 A 47 47 ALA HA H 47 4.320 4.207 0.113 1 1 477 . 9 1 1 A 47 47 ALA C C 47 176.000 176.406 -0.406 1 1 478 . 9 1 1 A 47 47 ALA CA C 47 52.800 52.311 0.489 1 1 479 . 9 1 1 A 47 47 ALA CB C 47 19.900 20.103 -0.203 1 1 480 . 9 1 1 A 47 47 ALA N N 47 123.600 123.526 0.074 1 1 481 . 9 1 1 A 48 48 THR H H 48 7.960 8.540 -0.580 1 1 482 . 9 1 1 A 48 48 THR HA H 48 5.440 5.204 0.236 1 1 487 . 9 1 1 A 48 48 THR C C 48 175.700 173.362 2.338 1 1 488 . 9 1 1 A 48 48 THR CA C 48 58.500 59.633 -1.133 1 1 489 . 9 1 1 A 48 48 THR CB C 48 73.500 72.372 1.128 1 1 491 . 9 1 1 A 48 48 THR N N 48 107.700 111.032 -3.332 1 1 492 . 9 1 1 A 49 49 SER H H 49 8.240 8.900 -0.660 1 1 493 . 9 1 1 A 49 49 SER HA H 49 4.810 4.598 0.212 1 1 494 . 9 1 1 A 49 49 SER C C 49 174.000 175.536 -1.536 1 1 495 . 9 1 1 A 49 49 SER CA C 49 57.100 57.680 -0.580 1 1 496 . 9 1 1 A 49 49 SER CB C 49 65.800 65.006 0.794 1 1 497 . 9 1 1 A 49 49 SER N N 49 115.400 117.157 -1.757 1 1 498 . 9 1 1 A 50 50 SER H H 50 8.640 8.548 0.092 1 1 499 . 9 1 1 A 50 50 SER HA H 50 4.340 4.136 0.204 1 1 502 . 9 1 1 A 50 50 SER C C 50 174.200 174.417 -0.217 1 1 503 . 9 1 1 A 50 50 SER CA C 50 59.600 61.202 -1.602 1 1 504 . 9 1 1 A 50 50 SER CB C 50 63.200 63.727 -0.527 1 1 505 . 9 1 1 A 50 50 SER N N 50 114.800 117.077 -2.277 1 1 506 . 9 1 1 A 51 51 ALA H H 51 8.520 7.937 0.583 1 1 507 . 9 1 1 A 51 51 ALA HA H 51 4.640 4.224 0.416 1 1 511 . 9 1 1 A 51 51 ALA C C 51 177.800 177.154 0.646 1 1 512 . 9 1 1 A 51 51 ALA CA C 51 52.000 53.442 -1.442 1 1 513 . 9 1 1 A 51 51 ALA CB C 51 20.100 18.268 1.832 1 1 514 . 9 1 1 A 51 51 ALA N N 51 127.800 122.954 4.846 1 1 515 . 9 1 1 A 52 52 VAL H H 52 9.250 8.924 0.326 1 1 516 . 9 1 1 A 52 52 VAL HA H 52 4.380 4.902 -0.522 1 1 524 . 9 1 1 A 52 52 VAL C C 52 176.100 174.808 1.292 1 1 525 . 9 1 1 A 52 52 VAL CA C 52 61.200 60.415 0.785 1 1 526 . 9 1 1 A 52 52 VAL CB C 52 34.800 35.192 -0.392 1 1 529 . 9 1 1 A 52 52 VAL N N 52 122.200 117.581 4.619 1 1 530 . 9 1 1 A 53 53 GLY H H 53 8.730 8.791 -0.061 1 1 531 . 9 1 1 A 53 53 GLY HA2 H 53 4.890 4.108 0.782 1 1 532 . 9 1 1 A 53 53 GLY HA3 H 53 3.760 4.181 -0.421 1 1 533 . 9 1 1 A 53 53 GLY C C 53 173.700 172.888 0.812 1 1 534 . 9 1 1 A 53 53 GLY CA C 53 45.400 45.486 -0.086 1 1 535 . 9 1 1 A 53 53 GLY N N 53 112.400 111.921 0.479 1 1 536 . 9 1 1 A 54 54 PHE H H 54 8.500 8.436 0.064 1 1 537 . 9 1 1 A 54 54 PHE HA H 54 4.830 5.444 -0.614 1 1 539 . 9 1 1 A 54 54 PHE C C 54 171.300 172.788 -1.488 1 1 540 . 9 1 1 A 54 54 PHE CA C 54 56.900 56.266 0.634 1 1 541 . 9 1 1 A 54 54 PHE CB C 54 41.600 42.264 -0.664 1 1 545 . 9 1 1 A 54 54 PHE N N 54 118.300 116.304 1.996 1 1 546 . 9 1 1 A 55 55 ASN H H 55 9.240 8.985 0.255 1 1 547 . 9 1 1 A 55 55 ASN HA H 55 5.640 5.297 0.343 1 1 552 . 9 1 1 A 55 55 ASN C C 55 175.200 173.771 1.429 1 1 553 . 9 1 1 A 55 55 ASN CA C 55 51.800 52.062 -0.262 1 1 554 . 9 1 1 A 55 55 ASN CB C 55 43.000 43.010 -0.010 1 1 555 . 9 1 1 A 55 55 ASN N N 55 117.100 117.321 -0.221 1 1 557 . 9 1 1 A 56 56 ILE H H 56 8.780 9.223 -0.443 1 1 558 . 9 1 1 A 56 56 ILE HA H 56 4.150 4.436 -0.286 1 1 568 . 9 1 1 A 56 56 ILE C C 56 173.700 175.562 -1.862 1 1 569 . 9 1 1 A 56 56 ILE CA C 56 60.800 60.642 0.158 1 1 570 . 9 1 1 A 56 56 ILE CB C 56 40.000 38.000 2.000 1 1 574 . 9 1 1 A 56 56 ILE N N 56 119.900 121.172 -1.272 1 1 575 . 9 1 1 A 57 57 GLN H H 57 8.840 8.758 0.082 1 1 576 . 9 1 1 A 57 57 GLN HA H 57 4.970 4.549 0.421 1 1 581 . 9 1 1 A 57 57 GLN C C 57 173.100 174.797 -1.697 1 1 582 . 9 1 1 A 57 57 GLN CA C 57 54.900 56.635 -1.735 1 1 583 . 9 1 1 A 57 57 GLN CB C 57 31.300 29.687 1.613 1 1 585 . 9 1 1 A 57 57 GLN N N 57 128.700 128.437 0.263 1 1 587 . 9 1 1 A 58 58 LEU H H 58 9.090 8.725 0.365 1 1 588 . 9 1 1 A 58 58 LEU HA H 58 5.010 4.911 0.099 1 1 598 . 9 1 1 A 58 58 LEU C C 58 174.700 175.779 -1.079 1 1 599 . 9 1 1 A 58 58 LEU CA C 58 52.600 54.259 -1.659 1 1 600 . 9 1 1 A 58 58 LEU CB C 58 43.800 44.681 -0.881 1 1 604 . 9 1 1 A 58 58 LEU N N 58 126.800 127.364 -0.564 1 1 605 . 9 1 1 A 59 59 ASN H H 59 9.670 9.182 0.488 1 1 606 . 9 1 1 A 59 59 ASN HA H 59 5.130 4.853 0.277 1 1 611 . 9 1 1 A 59 59 ASN C C 59 175.700 175.640 0.060 1 1 612 . 9 1 1 A 59 59 ASN CA C 59 51.200 52.998 -1.798 1 1 613 . 9 1 1 A 59 59 ASN CB C 59 41.500 39.462 2.038 1 1 614 . 9 1 1 A 59 59 ASN N N 59 119.300 123.783 -4.483 1 1 616 . 9 1 1 A 60 60 ASP H H 60 9.440 8.666 0.774 1 1 617 . 9 1 1 A 60 60 ASP HA H 60 4.240 4.164 0.076 1 1 620 . 9 1 1 A 60 60 ASP C C 60 176.000 175.146 0.854 1 1 621 . 9 1 1 A 60 60 ASP CA C 60 55.200 54.866 0.334 1 1 622 . 9 1 1 A 60 60 ASP CB C 60 39.100 39.002 0.098 1 1 623 . 9 1 1 A 60 60 ASP N N 60 115.200 121.890 -6.690 1 1 624 . 9 1 1 A 61 61 CYS H H 61 8.690 8.468 0.222 1 1 625 . 9 1 1 A 61 61 CYS HA H 61 5.240 4.849 0.391 1 1 628 . 9 1 1 A 61 61 CYS CA C 61 56.800 54.712 2.088 1 1 629 . 9 1 1 A 61 61 CYS CB C 61 41.800 40.850 0.950 1 1 630 . 9 1 1 A 61 61 CYS N N 61 114.600 117.504 -2.904 1 1 631 . 9 1 1 A 62 62 ASP H H 62 8.280 8.760 -0.480 1 1 632 . 9 1 1 A 62 62 ASP HA H 62 5.040 4.727 0.313 1 1 635 . 9 1 1 A 62 62 ASP C C 62 178.200 177.068 1.132 1 1 636 . 9 1 1 A 62 62 ASP CA C 62 52.300 54.314 -2.014 1 1 637 . 9 1 1 A 62 62 ASP CB C 62 42.000 41.435 0.565 1 1 638 . 9 1 1 A 62 62 ASP N N 62 122.300 127.170 -4.870 1 1 639 . 9 1 1 A 63 63 THR H H 63 8.620 8.878 -0.258 1 1 640 . 9 1 1 A 63 63 THR HA H 63 4.870 4.165 0.705 1 1 645 . 9 1 1 A 63 63 THR C C 63 176.500 176.042 0.458 1 1 646 . 9 1 1 A 63 63 THR CA C 63 63.100 65.005 -1.905 1 1 647 . 9 1 1 A 63 63 THR CB C 63 68.500 68.316 0.184 1 1 649 . 9 1 1 A 63 63 THR N N 63 115.500 118.980 -3.480 1 1 650 . 9 1 1 A 64 64 ASN H H 64 8.800 8.012 0.788 1 1 651 . 9 1 1 A 64 64 ASN HA H 64 4.580 4.437 0.143 1 1 656 . 9 1 1 A 64 64 ASN C C 64 176.800 178.109 -1.309 1 1 657 . 9 1 1 A 64 64 ASN CA C 64 55.100 56.430 -1.330 1 1 658 . 9 1 1 A 64 64 ASN CB C 64 38.300 38.183 0.117 1 1 659 . 9 1 1 A 64 64 ASN N N 64 119.100 120.986 -1.886 1 1 661 . 9 1 1 A 65 65 VAL H H 65 7.780 7.189 0.591 1 1 662 . 9 1 1 A 65 65 VAL HA H 65 3.800 3.829 -0.029 1 1 670 . 9 1 1 A 65 65 VAL C C 65 175.900 176.443 -0.543 1 1 671 . 9 1 1 A 65 65 VAL CA C 65 64.400 64.445 -0.045 1 1 672 . 9 1 1 A 65 65 VAL CB C 65 32.500 32.074 0.426 1 1 675 . 9 1 1 A 65 65 VAL N N 65 120.800 116.798 4.002 1 1 676 . 9 1 1 A 66 66 ALA H H 66 7.400 7.173 0.227 1 1 677 . 9 1 1 A 66 66 ALA HA H 66 4.270 4.510 -0.240 1 1 681 . 9 1 1 A 66 66 ALA C C 66 173.800 176.981 -3.181 1 1 682 . 9 1 1 A 66 66 ALA CA C 66 52.400 51.754 0.646 1 1 683 . 9 1 1 A 66 66 ALA CB C 66 23.400 22.259 1.141 1 1 684 . 9 1 1 A 66 66 ALA N N 66 118.100 120.188 -2.088 1 1 685 . 9 1 1 A 67 67 SER H H 67 8.070 8.649 -0.579 1 1 686 . 9 1 1 A 67 67 SER HA H 67 4.720 4.542 0.178 1 1 689 . 9 1 1 A 67 67 SER C C 67 175.100 174.147 0.953 1 1 690 . 9 1 1 A 67 67 SER CA C 67 57.800 59.929 -2.129 1 1 691 . 9 1 1 A 67 67 SER CB C 67 65.200 63.757 1.443 1 1 692 . 9 1 1 A 67 67 SER N N 67 109.700 116.562 -6.862 1 1 693 . 9 1 1 A 68 68 LYS H H 68 8.140 7.870 0.270 1 1 694 . 9 1 1 A 68 68 LYS HA H 68 5.450 5.008 0.442 1 1 699 . 9 1 1 A 68 68 LYS C C 68 174.600 174.647 -0.047 1 1 700 . 9 1 1 A 68 68 LYS CA C 68 54.900 54.987 -0.087 1 1 701 . 9 1 1 A 68 68 LYS CB C 68 38.000 37.389 0.611 1 1 705 . 9 1 1 A 68 68 LYS N N 68 121.300 119.109 2.191 1 1 706 . 9 1 1 A 69 69 ALA H H 69 8.560 8.887 -0.327 1 1 707 . 9 1 1 A 69 69 ALA HA H 69 5.630 5.098 0.532 1 1 711 . 9 1 1 A 69 69 ALA C C 69 175.300 176.147 -0.847 1 1 712 . 9 1 1 A 69 69 ALA CA C 69 50.000 50.797 -0.797 1 1 713 . 9 1 1 A 69 69 ALA CB C 69 24.500 22.066 2.434 1 1 714 . 9 1 1 A 69 69 ALA N N 69 120.400 122.469 -2.069 1 1 715 . 9 1 1 A 70 70 ALA H H 70 8.660 9.015 -0.355 1 1 716 . 9 1 1 A 70 70 ALA HA H 70 4.660 4.827 -0.167 1 1 720 . 9 1 1 A 70 70 ALA C C 70 175.000 176.209 -1.209 1 1 721 . 9 1 1 A 70 70 ALA CA C 70 51.400 51.228 0.172 1 1 722 . 9 1 1 A 70 70 ALA CB C 70 23.800 21.167 2.633 1 1 723 . 9 1 1 A 70 70 ALA N N 70 121.800 125.439 -3.639 1 1 724 . 9 1 1 A 71 71 VAL H H 71 8.730 8.918 -0.188 1 1 725 . 9 1 1 A 71 71 VAL HA H 71 5.230 5.117 0.113 1 1 733 . 9 1 1 A 71 71 VAL C C 71 174.200 173.126 1.074 1 1 734 . 9 1 1 A 71 71 VAL CA C 71 61.200 60.351 0.849 1 1 735 . 9 1 1 A 71 71 VAL CB C 71 36.100 35.793 0.307 1 1 738 . 9 1 1 A 71 71 VAL N N 71 119.200 117.899 1.301 1 1 739 . 9 1 1 A 72 72 ALA H H 72 8.200 8.834 -0.634 1 1 740 . 9 1 1 A 72 72 ALA HA H 72 4.680 5.577 -0.897 1 1 744 . 9 1 1 A 72 72 ALA C C 72 176.500 175.882 0.618 1 1 745 . 9 1 1 A 72 72 ALA CA C 72 50.200 50.389 -0.189 1 1 746 . 9 1 1 A 72 72 ALA CB C 72 21.000 23.616 -2.616 1 1 747 . 9 1 1 A 72 72 ALA N N 72 127.900 128.243 -0.343 1 1 748 . 9 1 1 A 73 73 PHE H H 73 9.700 8.761 0.939 1 1 749 . 9 1 1 A 73 73 PHE HA H 73 5.270 5.478 -0.208 1 1 753 . 9 1 1 A 73 73 PHE C C 73 174.500 174.688 -0.188 1 1 754 . 9 1 1 A 73 73 PHE CA C 73 57.400 56.275 1.125 1 1 755 . 9 1 1 A 73 73 PHE CB C 73 42.800 43.915 -1.115 1 1 759 . 9 1 1 A 73 73 PHE N N 73 121.600 116.062 5.538 1 1 760 . 9 1 1 A 74 74 LEU H H 74 9.180 8.971 0.209 1 1 761 . 9 1 1 A 74 74 LEU HA H 74 4.670 5.137 -0.467 1 1 771 . 9 1 1 A 74 74 LEU C C 74 175.800 175.127 0.673 1 1 772 . 9 1 1 A 74 74 LEU CA C 74 53.600 53.791 -0.191 1 1 773 . 9 1 1 A 74 74 LEU CB C 74 45.400 46.390 -0.990 1 1 777 . 9 1 1 A 74 74 LEU N N 74 122.100 121.861 0.239 1 1 778 . 9 1 1 A 75 75 GLY H H 75 8.460 8.267 0.193 1 1 779 . 9 1 1 A 75 75 GLY HA2 H 75 3.960 4.367 -0.407 1 1 780 . 9 1 1 A 75 75 GLY HA3 H 75 4.380 4.381 -0.001 1 1 781 . 9 1 1 A 75 75 GLY C C 75 171.100 171.531 -0.431 1 1 782 . 9 1 1 A 75 75 GLY CA C 75 44.900 46.147 -1.247 1 1 783 . 9 1 1 A 75 75 GLY N N 75 111.400 110.293 1.107 1 1 784 . 9 1 1 A 76 76 THR H H 76 8.450 8.531 -0.081 1 1 785 . 9 1 1 A 76 76 THR HA H 76 4.230 4.892 -0.662 1 1 790 . 9 1 1 A 76 76 THR C C 76 173.500 174.146 -0.646 1 1 791 . 9 1 1 A 76 76 THR CA C 76 62.600 61.755 0.845 1 1 792 . 9 1 1 A 76 76 THR CB C 76 69.800 70.394 -0.594 1 1 794 . 9 1 1 A 76 76 THR N N 76 118.300 116.418 1.882 1 1 795 . 9 1 1 A 77 77 ALA H H 77 8.740 8.754 -0.014 1 1 796 . 9 1 1 A 77 77 ALA HA H 77 4.860 4.618 0.242 1 1 800 . 9 1 1 A 77 77 ALA C C 77 179.700 178.434 1.266 1 1 801 . 9 1 1 A 77 77 ALA CA C 77 51.700 52.486 -0.786 1 1 802 . 9 1 1 A 77 77 ALA CB C 77 19.600 19.140 0.460 1 1 803 . 9 1 1 A 77 77 ALA N