data_25403 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Structural Mapping Reveals Promiscuous Interactions between Clathrin Box Motif Peptides and the N-Terminal Domain of the Clathrin Heavy Chain ; _BMRB_accession_number 25403 _BMRB_flat_file_name bmr25403.str _Entry_type original _Submission_date 2014-12-20 _Accession_date 2014-12-20 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhuo Yue . . 2 Cano Kristin E. . 3 Wang Liping . . 4 Ilangovan Udayar . . 5 Hinck Andrew P. . 6 Sousa Rui . . 7 Lafer Eileen M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 269 "13C chemical shifts" 869 "15N chemical shifts" 268 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-02-18 update BMRB 'update entry citation' 2015-04-07 original author 'original release' stop_ _Original_release_date 2015-04-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Nuclear Magnetic Resonance Structural Mapping Reveals Promiscuous Interactions between Clathrin-Box Motif Sequences and the N-Terminal Domain of the Clathrin Heavy Chain ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25844500 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhuo Yue . . 2 Cano Kristin E. . 3 Wang Liping . . 4 Ilangovan Udayar . . 5 Hinck Andrew P. . 6 Sousa Rui . . 7 Lafer Eileen M. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 54 _Journal_issue 16 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2571 _Page_last 2580 _Year 2015 _Details . loop_ _Keyword AP180 AP2 clathrin 'clathrin box motif' endocytosis trafficking stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Clathrin Heavy Chain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Clathrin TD40' $Clathrin_heavy_chain stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Clathrin_heavy_chain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Clathrin_heavy_chain _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 363 _Mol_residue_sequence ; MAQILPIRFQEHLQLQNLGI NPANIGFSTLTMESDKFICI REKVGEQAQVVIIDMNDPSN PIRRPISADSAIMNPASKVI ALKAGKTLQIFNIEMKSKMK AHTMTDDVTFWKWISLNTVA LVTDNAVYHWSMEGESQPVK MFDRHSSLAGCQIINYRTDA KQKWLLLTGISAQQNRVVGA MQLYSVDRKVSQPIEGHAAS FAQFKMEGNAEESTLFCFAV RGQAGGKLHIIEVGTPPTGN QPFPKKAVDVFFPPEAQNDF PVAMQISEKHDVVFLITKYG YIHLYDLETGTCIYMNRISG ETIFVTAPHEATAGIIGVNR KGQVLSVCVEEENIIPYITN VLQNPDLALRMAVRNNLAGA EEL ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 GLN 4 ILE 5 LEU 6 PRO 7 ILE 8 ARG 9 PHE 10 GLN 11 GLU 12 HIS 13 LEU 14 GLN 15 LEU 16 GLN 17 ASN 18 LEU 19 GLY 20 ILE 21 ASN 22 PRO 23 ALA 24 ASN 25 ILE 26 GLY 27 PHE 28 SER 29 THR 30 LEU 31 THR 32 MET 33 GLU 34 SER 35 ASP 36 LYS 37 PHE 38 ILE 39 CYS 40 ILE 41 ARG 42 GLU 43 LYS 44 VAL 45 GLY 46 GLU 47 GLN 48 ALA 49 GLN 50 VAL 51 VAL 52 ILE 53 ILE 54 ASP 55 MET 56 ASN 57 ASP 58 PRO 59 SER 60 ASN 61 PRO 62 ILE 63 ARG 64 ARG 65 PRO 66 ILE 67 SER 68 ALA 69 ASP 70 SER 71 ALA 72 ILE 73 MET 74 ASN 75 PRO 76 ALA 77 SER 78 LYS 79 VAL 80 ILE 81 ALA 82 LEU 83 LYS 84 ALA 85 GLY 86 LYS 87 THR 88 LEU 89 GLN 90 ILE 91 PHE 92 ASN 93 ILE 94 GLU 95 MET 96 LYS 97 SER 98 LYS 99 MET 100 LYS 101 ALA 102 HIS 103 THR 104 MET 105 THR 106 ASP 107 ASP 108 VAL 109 THR 110 PHE 111 TRP 112 LYS 113 TRP 114 ILE 115 SER 116 LEU 117 ASN 118 THR 119 VAL 120 ALA 121 LEU 122 VAL 123 THR 124 ASP 125 ASN 126 ALA 127 VAL 128 TYR 129 HIS 130 TRP 131 SER 132 MET 133 GLU 134 GLY 135 GLU 136 SER 137 GLN 138 PRO 139 VAL 140 LYS 141 MET 142 PHE 143 ASP 144 ARG 145 HIS 146 SER 147 SER 148 LEU 149 ALA 150 GLY 151 CYS 152 GLN 153 ILE 154 ILE 155 ASN 156 TYR 157 ARG 158 THR 159 ASP 160 ALA 161 LYS 162 GLN 163 LYS 164 TRP 165 LEU 166 LEU 167 LEU 168 THR 169 GLY 170 ILE 171 SER 172 ALA 173 GLN 174 GLN 175 ASN 176 ARG 177 VAL 178 VAL 179 GLY 180 ALA 181 MET 182 GLN 183 LEU 184 TYR 185 SER 186 VAL 187 ASP 188 ARG 189 LYS 190 VAL 191 SER 192 GLN 193 PRO 194 ILE 195 GLU 196 GLY 197 HIS 198 ALA 199 ALA 200 SER 201 PHE 202 ALA 203 GLN 204 PHE 205 LYS 206 MET 207 GLU 208 GLY 209 ASN 210 ALA 211 GLU 212 GLU 213 SER 214 THR 215 LEU 216 PHE 217 CYS 218 PHE 219 ALA 220 VAL 221 ARG 222 GLY 223 GLN 224 ALA 225 GLY 226 GLY 227 LYS 228 LEU 229 HIS 230 ILE 231 ILE 232 GLU 233 VAL 234 GLY 235 THR 236 PRO 237 PRO 238 THR 239 GLY 240 ASN 241 GLN 242 PRO 243 PHE 244 PRO 245 LYS 246 LYS 247 ALA 248 VAL 249 ASP 250 VAL 251 PHE 252 PHE 253 PRO 254 PRO 255 GLU 256 ALA 257 GLN 258 ASN 259 ASP 260 PHE 261 PRO 262 VAL 263 ALA 264 MET 265 GLN 266 ILE 267 SER 268 GLU 269 LYS 270 HIS 271 ASP 272 VAL 273 VAL 274 PHE 275 LEU 276 ILE 277 THR 278 LYS 279 TYR 280 GLY 281 TYR 282 ILE 283 HIS 284 LEU 285 TYR 286 ASP 287 LEU 288 GLU 289 THR 290 GLY 291 THR 292 CYS 293 ILE 294 TYR 295 MET 296 ASN 297 ARG 298 ILE 299 SER 300 GLY 301 GLU 302 THR 303 ILE 304 PHE 305 VAL 306 THR 307 ALA 308 PRO 309 HIS 310 GLU 311 ALA 312 THR 313 ALA 314 GLY 315 ILE 316 ILE 317 GLY 318 VAL 319 ASN 320 ARG 321 LYS 322 GLY 323 GLN 324 VAL 325 LEU 326 SER 327 VAL 328 CYS 329 VAL 330 GLU 331 GLU 332 GLU 333 ASN 334 ILE 335 ILE 336 PRO 337 TYR 338 ILE 339 THR 340 ASN 341 VAL 342 LEU 343 GLN 344 ASN 345 PRO 346 ASP 347 LEU 348 ALA 349 LEU 350 ARG 351 MET 352 ALA 353 VAL 354 ARG 355 ASN 356 ASN 357 LEU 358 ALA 359 GLY 360 ALA 361 GLU 362 GLU 363 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Clathrin_heavy_chain 'E. coli' 562 Bacteria . Escherichia coli stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $Clathrin_heavy_chain 'recombinant technology' . Escherichia coli 'BL21 (DE3) plysS' pBAT4 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Clathrin_heavy_chain 400 uM '[U-2H; U-13C; U-15N]' 'sodium phosphate' 25 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' D2O 10 % '[U-100% 2H]' 'sodium chloride' 50 mM 'natural abundance' glycerol 10 % '[U-100% 2H]' H2O 90 % 'natural abundance' DTT 25 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_trHNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D trHNCA' _Sample_label $sample_1 save_ save_3D_trHNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D trHNCACB' _Sample_label $sample_1 save_ save_3D_trHN(CA)CO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D trHN(CA)CO' _Sample_label $sample_1 save_ save_3D_trHNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D trHNCO' _Sample_label $sample_1 save_ save_3D_trHN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D trHN(CO)CA' _Sample_label $sample_1 save_ save_3D_trHN(CO)CACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D trHN(CO)CACB' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.5 . pH pressure 1 . atm temperature 300 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 na direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D trHNCA' '3D trHNCACB' '3D trHN(CA)CO' '3D trHNCO' '3D trHN(CO)CA' '3D trHN(CO)CACB' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Clathrin TD40' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET CB C 31.941 0.133 1 2 1 1 MET C C 175.931 0 1 3 2 2 ALA CA C 52.266 0.007 1 4 2 2 ALA CB C 18.333 0.088 1 5 2 2 ALA C C 177.507 0.018 1 6 2 2 ALA H H 8.197 0.002 1 7 2 2 ALA N N 124.344 0.06 1 8 3 3 GLN CA C 55.134 0.106 1 9 3 3 GLN CB C 28.724 0.014 1 10 3 3 GLN C C 175.596 0.001 1 11 3 3 GLN H H 8.23 0.002 1 12 3 3 GLN N N 118.984 0.038 1 13 4 4 ILE CA C 60.477 0.033 1 14 4 4 ILE CB C 38.503 0.086 1 15 4 4 ILE C C 174.281 0.016 1 16 4 4 ILE H H 7.887 0.002 1 17 4 4 ILE N N 120.044 0.022 1 18 5 5 LEU CA C 50.826 0 1 19 5 5 LEU CB C 43.135 0.074 1 20 5 5 LEU C C 175.711 0 1 21 5 5 LEU H H 8.156 0.002 1 22 5 5 LEU N N 122.483 0.058 1 23 6 6 PRO CA C 62.911 0 1 24 6 6 PRO CB C 30.38 0 1 25 6 6 PRO C C 174.559 0 1 26 7 7 ILE CA C 57.106 0.051 1 27 7 7 ILE CB C 41.621 0.041 1 28 7 7 ILE C C 173.745 0 1 29 7 7 ILE H H 6.072 0.003 1 30 7 7 ILE N N 108.086 0.025 1 31 8 8 ARG CA C 54.931 0.102 1 32 8 8 ARG CB C 31.943 0.036 1 33 8 8 ARG C C 174.219 0.056 1 34 8 8 ARG H H 8.774 0.006 1 35 8 8 ARG N N 121.543 0.018 1 36 9 9 PHE CA C 55.41 0.061 1 37 9 9 PHE CB C 36.528 0.027 1 38 9 9 PHE C C 175.992 0 1 39 9 9 PHE H H 8.716 0.005 1 40 9 9 PHE N N 128.268 0.037 1 41 10 10 GLN CA C 58.403 0.073 1 42 10 10 GLN CB C 28.361 0 1 43 10 10 GLN C C 177.039 0 1 44 10 10 GLN H H 9.8 0.003 1 45 10 10 GLN N N 126.809 0.051 1 46 11 11 GLU CA C 54.495 0.014 1 47 11 11 GLU CB C 30.069 0 1 48 11 11 GLU C C 176.071 0 1 49 12 12 HIS CA C 58.142 0.113 1 50 12 12 HIS CB C 30.245 0 1 51 12 12 HIS C C 175.122 0.011 1 52 12 12 HIS H H 9.211 0.003 1 53 12 12 HIS N N 126.177 0.014 1 54 13 13 LEU CA C 54.192 0.073 1 55 13 13 LEU CB C 44.873 0.066 1 56 13 13 LEU C C 173.852 0.019 1 57 13 13 LEU H H 7.322 0.008 1 58 13 13 LEU N N 114.319 0.034 1 59 14 14 GLN CA C 54.129 0.042 1 60 14 14 GLN CB C 27.937 0.015 1 61 14 14 GLN C C 177 0.008 1 62 14 14 GLN H H 8.322 0.003 1 63 14 14 GLN N N 121.793 0.044 1 64 15 15 LEU CA C 57.88 0.047 1 65 15 15 LEU CB C 40.968 0.029 1 66 15 15 LEU C C 179.465 0 1 67 15 15 LEU H H 9.207 0.006 1 68 15 15 LEU N N 124.956 0.051 1 69 16 16 GLN CA C 59.267 0.005 1 70 16 16 GLN CB C 27.565 0.065 1 71 16 16 GLN C C 179.517 0.024 1 72 16 16 GLN H H 9.853 0.004 1 73 16 16 GLN N N 117.822 0.044 1 74 17 17 ASN CA C 54.309 0.083 1 75 17 17 ASN CB C 36.852 0.139 1 76 17 17 ASN C C 176.002 0.048 1 77 17 17 ASN H H 7.831 0.009 1 78 17 17 ASN N N 117.464 0.029 1 79 18 18 LEU CA C 53.828 0.17 1 80 18 18 LEU CB C 40.952 0 1 81 18 18 LEU C C 176.838 0 1 82 18 18 LEU H H 7.482 0.004 1 83 18 18 LEU N N 118.762 0.049 1 84 19 19 GLY CA C 44.968 0.111 1 85 19 19 GLY C C 174.013 0.009 1 86 19 19 GLY H H 7.604 0.005 1 87 19 19 GLY N N 105.726 0.045 1 88 20 20 ILE CA C 53.713 0.088 1 89 20 20 ILE CB C 37.237 0 1 90 20 20 ILE C C 173.391 0 1 91 20 20 ILE H H 9.26 0.003 1 92 20 20 ILE N N 126.485 0.042 1 93 22 22 PRO CA C 64.304 0.074 1 94 22 22 PRO CB C 30.852 0.03 1 95 22 22 PRO C C 178.127 0 1 96 23 23 ALA CA C 53.674 0.103 1 97 23 23 ALA CB C 17.471 0.042 1 98 23 23 ALA C C 178.665 0.031 1 99 23 23 ALA H H 8.433 0.005 1 100 23 23 ALA N N 119.921 0.041 1 101 24 24 ASN CA C 52.193 0.005 1 102 24 24 ASN CB C 38.405 0.042 1 103 24 24 ASN C C 175.705 0.011 1 104 24 24 ASN H H 8.098 0.005 1 105 24 24 ASN N N 111.956 0.032 1 106 25 25 ILE CA C 60.318 0 1 107 25 25 ILE CB C 35.329 0 1 108 25 25 ILE C C 172.456 0 1 109 25 25 ILE H H 7.472 0.006 1 110 25 25 ILE N N 124.479 0.035 1 111 26 26 GLY CA C 43.859 0.088 1 112 26 26 GLY C C 172.275 0 1 113 26 26 GLY H H 6.637 0.008 1 114 26 26 GLY N N 109.502 0.027 1 115 28 28 SER CA C 60.113 0 1 116 29 29 THR CA C 61.699 0.025 1 117 29 29 THR CB C 69.744 0.112 1 118 29 29 THR C C 172.872 0.024 1 119 29 29 THR H H 7.379 0.006 1 120 29 29 THR N N 107.918 0.023 1 121 30 30 LEU CA C 55.141 0.063 1 122 30 30 LEU CB C 42.673 0.121 1 123 30 30 LEU C C 174.322 0 1 124 30 30 LEU H H 8.229 0.005 1 125 30 30 LEU N N 128.061 0.011 1 126 31 31 THR CA C 58.307 0.023 1 127 31 31 THR CB C 71.995 0.083 1 128 31 31 THR C C 172.529 0.018 1 129 31 31 THR H H 9.672 0.004 1 130 31 31 THR N N 115.42 0.035 1 131 32 32 MET CA C 55.5 0 1 132 32 32 MET CB C 33.562 0.044 1 133 32 32 MET C C 173.135 0 1 134 32 32 MET H H 9.418 0.004 1 135 32 32 MET N N 126.622 0.055 1 136 33 33 GLU CA C 56.463 0.067 1 137 33 33 GLU CB C 29.223 0 1 138 33 33 GLU H H 8.642 0.003 1 139 33 33 GLU N N 124.526 0.024 1 140 34 34 SER CA C 54.939 0.049 1 141 34 34 SER CB C 64.785 0.038 1 142 34 34 SER C C 170.427 0.032 1 143 34 34 SER H H 8.241 0.007 1 144 34 34 SER N N 109.952 0.047 1 145 35 35 ASP CA C 53.632 0.041 1 146 35 35 ASP CB C 39.565 0.012 1 147 35 35 ASP C C 176.149 0 1 148 35 35 ASP H H 9.015 0.002 1 149 35 35 ASP N N 115.142 0.027 1 150 36 36 LYS CA C 56.768 0.1 1 151 36 36 LYS CB C 33.237 0.011 1 152 36 36 LYS C C 177.628 0.013 1 153 36 36 LYS H H 7.374 0.005 1 154 36 36 LYS N N 114.382 0.05 1 155 37 37 PHE CA C 55.475 0.032 1 156 37 37 PHE CB C 43.248 0.037 1 157 37 37 PHE C C 175.614 0.025 1 158 37 37 PHE H H 6.839 0.008 1 159 37 37 PHE N N 110.963 0.042 1 160 38 38 ILE CA C 60.701 0.075 1 161 38 38 ILE CB C 40.729 0.119 1 162 38 38 ILE C C 173.874 0 1 163 38 38 ILE H H 8.915 0.008 1 164 38 38 ILE N N 121.971 0.04 1 165 39 39 CYS CA C 56.926 0.02 1 166 39 39 CYS CB C 28.589 0.08 1 167 39 39 CYS C C 173.611 0.023 1 168 39 39 CYS H H 8.935 0.005 1 169 39 39 CYS N N 127.184 0.012 1 170 40 40 ILE CA C 59.985 0.073 1 171 40 40 ILE CB C 41.386 0.12 1 172 40 40 ILE C C 174.941 0 1 173 40 40 ILE H H 9.808 0.004 1 174 40 40 ILE N N 130.943 0.065 1 175 41 41 ARG CA C 55.469 0.022 1 176 41 41 ARG CB C 29.655 0.029 1 177 41 41 ARG C C 175.221 0.019 1 178 41 41 ARG H H 8.843 0.009 1 179 41 41 ARG N N 126.188 0.038 1 180 42 42 GLU CA C 54.548 0.044 1 181 42 42 GLU CB C 33.743 0.049 1 182 42 42 GLU C C 174.846 0.018 1 183 42 42 GLU H H 8.56 0.005 1 184 42 42 GLU N N 120.728 0.021 1 185 43 43 LYS CA C 55.771 0.024 1 186 43 43 LYS CB C 32.852 0.068 1 187 43 43 LYS C C 175.471 0.03 1 188 43 43 LYS H H 8.388 0.002 1 189 43 43 LYS N N 123.076 0.036 1 190 44 44 VAL CA C 61.059 0 1 191 44 44 VAL CB C 31.96 0.074 1 192 44 44 VAL C C 176.598 0 1 193 44 44 VAL H H 8.388 0.006 1 194 44 44 VAL N N 126.947 0.026 1 195 46 46 GLU CA C 55.904 0.058 1 196 46 46 GLU CB C 28.84 0 1 197 46 46 GLU C C 175.951 0 1 198 47 47 GLN CA C 54.501 0.045 1 199 47 47 GLN CB C 29.782 0.032 1 200 47 47 GLN C C 174.289 0.066 1 201 47 47 GLN H H 7.964 0.006 1 202 47 47 GLN N N 119.96 0.061 1 203 48 48 ALA CA C 51.749 0 1 204 48 48 ALA CB C 19.246 0.067 1 205 48 48 ALA C C 176.653 0.012 1 206 48 48 ALA H H 8.434 0.003 1 207 48 48 ALA N N 129.211 0.042 1 208 49 49 GLN CA C 54.109 0.033 1 209 49 49 GLN CB C 31.902 0.063 1 210 49 49 GLN C C 175.302 0.031 1 211 49 49 GLN H H 8.798 0.003 1 212 49 49 GLN N N 118.226 0.029 1 213 50 50 VAL CA C 60.168 0 1 214 50 50 VAL CB C 33.621 0.121 1 215 50 50 VAL C C 173.591 0.031 1 216 50 50 VAL H H 8.823 0.004 1 217 50 50 VAL N N 119.469 0.036 1 218 51 51 VAL CA C 60.193 0.056 1 219 51 51 VAL CB C 32.243 0.102 1 220 51 51 VAL C C 174.792 0 1 221 51 51 VAL H H 9.482 0.005 1 222 51 51 VAL N N 126.8 0.042 1 223 52 52 ILE CA C 60.152 0 1 224 52 52 ILE CB C 39.611 0.243 1 225 52 52 ILE C C 174.81 0 1 226 52 52 ILE H H 9.515 0.005 1 227 52 52 ILE N N 127.227 0.033 1 228 53 53 ILE CA C 59.427 0.386 1 229 53 53 ILE CB C 38.016 0.757 1 230 53 53 ILE C C 175.024 0.08 1 231 53 53 ILE H H 9.412 0.007 1 232 53 53 ILE N N 127.657 0.048 1 233 54 54 ASP CA C 52.21 0 1 234 54 54 ASP CB C 40.775 0.069 1 235 54 54 ASP C C 178.322 0.001 1 236 54 54 ASP H H 9.363 0.467 1 237 54 54 ASP N N 128.703 0.057 1 238 55 55 MET CA C 54.464 1.598 1 239 55 55 MET CB C 29.545 0.087 1 240 55 55 MET C C 177.437 0.017 1 241 55 55 MET H H 7.893 0.006 1 242 55 55 MET N N 125.034 0.025 1 243 56 56 ASN CA C 53.774 0.038 1 244 56 56 ASN CB C 38.635 0.015 1 245 56 56 ASN C C 175.389 0.018 1 246 56 56 ASN H H 8.751 0.006 1 247 56 56 ASN N N 116.575 0.031 1 248 57 57 ASP CA C 52.269 0.088 1 249 57 57 ASP CB C 40.094 0.059 1 250 57 57 ASP C C 174.311 0 1 251 57 57 ASP H H 7.895 0.005 1 252 57 57 ASP N N 117.706 0.022 1 253 58 58 PRO CA C 64.805 0 1 254 58 58 PRO CB C 31.609 0.085 1 255 58 58 PRO C C 175.145 0 1 256 59 59 SER CA C 59.116 0.087 1 257 59 59 SER CB C 62.848 0.092 1 258 59 59 SER C C 173.661 0.032 1 259 59 59 SER H H 7.981 0.003 1 260 59 59 SER N N 109.001 0.041 1 261 60 60 ASN CA C 50.794 0.014 1 262 60 60 ASN CB C 39.528 0.014 1 263 60 60 ASN C C 171.828 0 1 264 60 60 ASN H H 7.282 0.005 1 265 60 60 ASN N N 118.044 0.022 1 266 61 61 PRO CA C 62.969 0 1 267 61 61 PRO CB C 31.616 0 1 268 61 61 PRO C C 176.233 0 1 269 62 62 ILE CA C 60.442 0.036 1 270 62 62 ILE CB C 38.768 0.044 1 271 62 62 ILE C C 174.802 0.077 1 272 62 62 ILE H H 8.916 0.009 1 273 62 62 ILE N N 123.945 0.056 1 274 63 63 ARG CA C 54.538 0.027 1 275 63 63 ARG CB C 31.154 0.021 1 276 63 63 ARG C C 176.726 0.034 1 277 63 63 ARG H H 8.592 0.005 1 278 63 63 ARG N N 126.159 0.034 1 279 64 64 ARG CA C 50.608 0.058 1 280 64 64 ARG CB C 32.08 0.073 1 281 64 64 ARG C C 174.172 0 1 282 64 64 ARG H H 8.867 0.006 1 283 64 64 ARG N N 122.279 0.038 1 284 65 65 PRO CA C 62.124 0.058 1 285 65 65 PRO CB C 28.467 0.073 1 286 65 65 PRO C C 174.722 0 1 287 66 66 ILE CA C 59.843 0.088 1 288 66 66 ILE CB C 41.193 0.132 1 289 66 66 ILE C C 173.687 0 1 290 66 66 ILE H H 7.711 0.005 1 291 66 66 ILE N N 124.436 0.04 1 292 67 67 SER CA C 56.368 0.037 1 293 67 67 SER CB C 62.322 0.081 1 294 67 67 SER C C 172.817 0.103 1 295 67 67 SER H H 8.342 0.001 1 296 67 67 SER N N 120.125 0.018 1 297 68 68 ALA CA C 50.883 0.059 1 298 68 68 ALA CB C 21.249 0.107 1 299 68 68 ALA C C 175.493 0.002 1 300 68 68 ALA H H 8.02 0.007 1 301 68 68 ALA N N 126.505 0.044 1 302 69 69 ASP CA C 54.482 0.073 1 303 69 69 ASP CB C 41.677 0.034 1 304 69 69 ASP C C 176.066 0 1 305 69 69 ASP H H 9.437 0.004 1 306 69 69 ASP N N 119.831 0.026 1 307 70 70 SER CA C 57.496 0.008 1 308 70 70 SER CB C 62.335 0.08 1 309 70 70 SER C C 172.426 0.058 1 310 70 70 SER H H 7.32 0.004 1 311 70 70 SER N N 108.783 0.04 1 312 71 71 ALA CA C 51.21 0.067 1 313 71 71 ALA CB C 22.011 0.031 1 314 71 71 ALA C C 175.368 0.034 1 315 71 71 ALA H H 8.544 0.003 1 316 71 71 ALA N N 131.103 0.049 1 317 72 72 ILE CA C 59.272 0 1 318 72 72 ILE CB C 41.406 0.044 1 319 72 72 ILE C C 176.342 0 1 320 72 72 ILE H H 8.747 0.006 1 321 72 72 ILE N N 116.003 0.021 1 322 75 75 PRO CA C 63.933 0 1 323 75 75 PRO CB C 32.142 0 1 324 76 76 ALA CA C 52.453 0.149 1 325 76 76 ALA CB C 22.221 0.013 1 326 76 76 ALA C C 175.736 0.038 1 327 76 76 ALA H H 8.564 0.004 1 328 76 76 ALA N N 117.389 0.025 1 329 77 77 SER CA C 56.722 0.115 1 330 77 77 SER CB C 64.73 0.119 1 331 77 77 SER C C 173.318 0.04 1 332 77 77 SER H H 7.855 0.006 1 333 77 77 SER N N 114.327 0.028 1 334 78 78 LYS CA C 55.315 0.123 1 335 78 78 LYS CB C 29.351 0.157 1 336 78 78 LYS C C 174.782 0.001 1 337 78 78 LYS H H 8.408 0.005 1 338 78 78 LYS N N 121.129 0.015 1 339 79 79 VAL CA C 60.512 0.073 1 340 79 79 VAL CB C 34.799 0.06 1 341 79 79 VAL C C 172.019 0.018 1 342 79 79 VAL H H 8.106 0.005 1 343 79 79 VAL N N 125.828 0.03 1 344 80 80 ILE CA C 58.278 0.047 1 345 80 80 ILE CB C 43.28 0.069 1 346 80 80 ILE H H 9.362 0.006 1 347 80 80 ILE N N 125.99 0.054 1 348 81 81 ALA CA C 49.682 0.147 1 349 81 81 ALA CB C 18.487 0.018 1 350 81 81 ALA C C 175.257 0.02 1 351 81 81 ALA H H 8.781 0.008 1 352 81 81 ALA N N 130.066 0.026 1 353 82 82 LEU CA C 52.811 0.129 1 354 82 82 LEU CB C 45.154 0.031 1 355 82 82 LEU C C 175.436 0 1 356 82 82 LEU H H 9.484 0.004 1 357 82 82 LEU N N 122.119 0.029 1 358 83 83 LYS CA C 53.849 0.056 1 359 83 83 LYS CB C 34.547 0.025 1 360 83 83 LYS C C 173.911 0.001 1 361 83 83 LYS H H 8.41 0.009 1 362 83 83 LYS N N 123.772 0.036 1 363 84 84 ALA CA C 50.914 0.051 1 364 84 84 ALA CB C 18.554 0.066 1 365 84 84 ALA C C 176.726 0.013 1 366 84 84 ALA H H 8.725 0.008 1 367 84 84 ALA N N 130.444 0.021 1 368 85 85 GLY CA C 46.657 0.088 1 369 85 85 GLY C C 174.884 0 1 370 85 85 GLY H H 9.077 0.006 1 371 85 85 GLY N N 116.557 0.048 1 372 86 86 LYS CA C 56.266 0.117 1 373 86 86 LYS CB C 31.547 0.03 1 374 87 87 THR CA C 62.97 0.048 1 375 87 87 THR CB C 69.166 0.069 1 376 87 87 THR C C 172.48 0.029 1 377 87 87 THR H H 8.011 0.005 1 378 87 87 THR N N 115.704 0.05 1 379 88 88 LEU CA C 52.253 0.049 1 380 88 88 LEU CB C 42.865 0.11 1 381 88 88 LEU C C 176.552 0.05 1 382 88 88 LEU H H 9.179 0.007 1 383 88 88 LEU N N 127.484 0.048 1 384 89 89 GLN CA C 54.556 0.011 1 385 89 89 GLN CB C 33.555 0.037 1 386 89 89 GLN C C 173.885 0.007 1 387 89 89 GLN H H 9.444 0.007 1 388 89 89 GLN N N 118.919 0.048 1 389 90 90 ILE CA C 59.49 0.087 1 390 90 90 ILE CB C 37.228 0.088 1 391 90 90 ILE C C 175.281 0 1 392 90 90 ILE H H 8.861 0.005 1 393 90 90 ILE N N 122.344 0.046 1 394 100 100 LYS CA C 55.814 0 1 395 100 100 LYS CB C 34.993 0.044 1 396 100 100 LYS C C 173.775 0 1 397 101 101 ALA CA C 51.296 0.056 1 398 101 101 ALA CB C 22.533 0.072 1 399 101 101 ALA C C 176.105 0.01 1 400 101 101 ALA H H 8.744 0.006 1 401 101 101 ALA N N 122.854 0.027 1 402 102 102 HIS CA C 56.855 0.022 1 403 102 102 HIS CB C 34.286 0.055 1 404 102 102 HIS C C 173.107 0 1 405 102 102 HIS H H 9.133 0.005 1 406 102 102 HIS N N 120.129 0.031 1 407 103 103 THR CA C 61.205 0.053 1 408 103 103 THR CB C 68.693 0.026 1 409 103 103 THR C C 173.106 0.031 1 410 103 103 THR H H 7.458 0.002 1 411 103 103 THR N N 123.719 0.034 1 412 104 104 MET CA C 53.114 0.009 1 413 104 104 MET CB C 32.486 0.034 1 414 104 104 MET C C 176.441 0.004 1 415 104 104 MET H H 8.298 0.004 1 416 104 104 MET N N 125.527 0.035 1 417 105 105 THR CA C 64.008 0.058 1 418 105 105 THR CB C 68.185 0.074 1 419 105 105 THR C C 173.924 0.065 1 420 105 105 THR H H 8.228 0.006 1 421 105 105 THR N N 113.745 0.039 1 422 106 106 ASP CA C 51.981 0.011 1 423 106 106 ASP CB C 42.556 0.012 1 424 106 106 ASP C C 173.504 0.039 1 425 106 106 ASP H H 7.262 0.004 1 426 106 106 ASP N N 120.307 0.042 1 427 107 107 ASP CA C 54.56 0.01 1 428 107 107 ASP CB C 40.493 0.021 1 429 107 107 ASP C C 176.207 0.036 1 430 107 107 ASP H H 8.155 0.003 1 431 107 107 ASP N N 116.416 0.025 1 432 108 108 VAL CA C 61.215 0.031 1 433 108 108 VAL CB C 31.505 0.059 1 434 108 108 VAL C C 175.449 0.015 1 435 108 108 VAL H H 7.997 0.005 1 436 108 108 VAL N N 122.995 0.043 1 437 109 109 THR CA C 61.524 0.064 1 438 109 109 THR CB C 68.19 0.037 1 439 109 109 THR C C 174.898 0.044 1 440 109 109 THR H H 8.967 0.006 1 441 109 109 THR N N 120.829 0.035 1 442 110 110 PHE CA C 57.792 0.078 1 443 110 110 PHE CB C 41.653 0.005 1 444 110 110 PHE C C 171.416 0 1 445 110 110 PHE H H 7.75 0.008 1 446 110 110 PHE N N 122.149 0.02 1 447 111 111 TRP CA C 54.456 0.058 1 448 111 111 TRP CB C 31.005 0 1 449 111 111 TRP C C 172.584 0 1 450 111 111 TRP H H 7.363 0.005 1 451 111 111 TRP N N 123.56 0.036 1 452 115 115 SER CA C 60.657 0.043 1 453 115 115 SER CB C 62.273 0.18 1 454 115 115 SER H H 9.586 0.006 1 455 115 115 SER N N 121.756 0.02 1 456 116 116 LEU CA C 55.56 0.073 1 457 116 116 LEU CB C 41.35 0.088 1 458 116 116 LEU C C 177.798 0 1 459 116 116 LEU H H 7.488 0.005 1 460 116 116 LEU N N 121.891 0.054 1 461 117 117 ASN CA C 52.02 0.075 1 462 117 117 ASN CB C 40.375 0.035 1 463 117 117 ASN C C 174.875 0 1 464 117 117 ASN H H 8.144 0.006 1 465 117 117 ASN N N 111.633 0.02 1 466 118 118 THR CA C 62.566 0.03 1 467 118 118 THR CB C 71.417 0 1 468 118 118 THR C C 171.227 0 1 469 118 118 THR H H 7.448 0.005 1 470 118 118 THR N N 115.978 0.041 1 471 120 120 ALA CA C 54.157 0.058 1 472 120 120 ALA CB C 17.185 0.073 1 473 120 120 ALA C C 179.446 0 1 474 120 120 ALA H H 7.633 0.005 1 475 120 120 ALA N N 125.355 0.033 1 476 123 123 THR CA C 58.369 0.105 1 477 123 123 THR CB C 70.962 0 1 478 123 123 THR C C 174.865 0 1 479 124 124 ASP CA C 57.001 0.071 1 480 124 124 ASP CB C 40.211 0.128 1 481 124 124 ASP C C 176.207 0.015 1 482 124 124 ASP H H 9.502 0.004 1 483 124 124 ASP N N 116.866 0.055 1 484 125 125 ASN CA C 52.909 0.101 1 485 125 125 ASN CB C 40.635 0.216 1 486 125 125 ASN H H 7.861 0.006 1 487 125 125 ASN N N 109.628 0.023 1 488 126 126 ALA CA C 52.007 0.014 1 489 126 126 ALA CB C 21.755 0.014 1 490 126 126 ALA C C 172.285 0 1 491 126 126 ALA H H 8.052 0.004 1 492 126 126 ALA N N 124.965 0.033 1 493 130 130 TRP CA C 52.841 0.073 1 494 130 130 TRP CB C 31.206 0.235 1 495 130 130 TRP C C 173.372 0 1 496 130 130 TRP H H 8.123 0.001 1 497 131 131 SER CA C 56.667 0.118 1 498 131 131 SER CB C 63.176 0.116 1 499 131 131 SER C C 175.298 0.011 1 500 131 131 SER H H 8.479 0.008 1 501 131 131 SER N N 121.853 0.027 1 502 132 132 MET CA C 55.781 0.043 1 503 132 132 MET CB C 32.938 0.143 1 504 132 132 MET C C 174.267 0.046 1 505 132 132 MET H H 8.754 0.006 1 506 132 132 MET N N 122.846 0.029 1 507 133 133 GLU CA C 55.132 0.037 1 508 133 133 GLU CB C 30.086 0.046 1 509 133 133 GLU C C 177.834 0.038 1 510 133 133 GLU H H 8.118 0.006 1 511 133 133 GLU N N 118.604 0.036 1 512 134 134 GLY CA C 45.55 0.058 1 513 134 134 GLY C C 174.385 0 1 514 134 134 GLY H H 8.687 0.003 1 515 134 134 GLY N N 111.264 0.024 1 516 138 138 PRO CA C 63.425 0.029 1 517 138 138 PRO CB C 30.786 0 1 518 139 139 VAL CA C 60.444 0.022 1 519 139 139 VAL CB C 33.551 0.052 1 520 139 139 VAL C C 175.372 0.04 1 521 139 139 VAL H H 9.069 0.006 1 522 139 139 VAL N N 124.807 0.022 1 523 140 140 LYS CA C 57.477 0.097 1 524 140 140 LYS CB C 30.311 0 1 525 140 140 LYS C C 175.557 0.065 1 526 140 140 LYS H H 8.973 0.004 1 527 140 140 LYS N N 129.219 0.024 1 528 141 141 MET CA C 53.623 0.105 1 529 141 141 MET CB C 29.774 0 1 530 141 141 MET C C 175.677 0.022 1 531 141 141 MET H H 9.159 0.005 1 532 141 141 MET N N 127.001 0.01 1 533 142 142 PHE CA C 55.578 0.114 1 534 142 142 PHE CB C 37.172 0.068 1 535 142 142 PHE C C 172.617 0.041 1 536 142 142 PHE H H 6.515 0.004 1 537 142 142 PHE N N 108.672 0.053 1 538 143 143 ASP CA C 53.078 0.038 1 539 143 143 ASP CB C 41.397 0.017 1 540 143 143 ASP C C 177.316 0.023 1 541 143 143 ASP H H 8.325 0.002 1 542 143 143 ASP N N 117.576 0.019 1 543 144 144 ARG CA C 56.487 0.011 1 544 144 144 ARG CB C 30.595 0.015 1 545 144 144 ARG C C 175.739 0.123 1 546 144 144 ARG H H 8.218 0.004 1 547 144 144 ARG N N 121.958 0.054 1 548 145 145 HIS CA C 57.29 0.089 1 549 145 145 HIS C C 177.233 0 1 550 145 145 HIS H H 8.965 0.003 1 551 145 145 HIS N N 122.367 0.027 1 552 146 146 SER CA C 60.234 0 1 553 146 146 SER CB C 64.995 0.057 1 554 147 147 SER CA C 56.064 0.048 1 555 147 147 SER CB C 64.238 0.117 1 556 147 147 SER C C 172.995 0.097 1 557 147 147 SER H H 8.576 0.007 1 558 147 147 SER N N 116.798 0.035 1 559 148 148 LEU CA C 57.172 0 1 560 148 148 LEU CB C 40.1 0 1 561 148 148 LEU C C 177.115 0 1 562 148 148 LEU H H 8.225 0.005 1 563 148 148 LEU N N 113.75 0.052 1 564 149 149 ALA CA C 50.992 0 1 565 150 150 GLY CA C 44.812 0.088 1 566 150 150 GLY C C 174.951 0 1 567 150 150 GLY H H 8.809 0.003 1 568 150 150 GLY N N 110.63 0.076 1 569 151 151 CYS CA C 59.706 0.023 1 570 151 151 CYS CB C 27.754 0.028 1 571 151 151 CYS C C 175.036 0.008 1 572 151 151 CYS H H 7.514 0.006 1 573 151 151 CYS N N 116.738 0.033 1 574 152 152 GLN CA C 54.637 0.057 1 575 152 152 GLN CB C 27.808 0 1 576 152 152 GLN C C 175.481 0.014 1 577 152 152 GLN H H 8.979 0.006 1 578 152 152 GLN N N 122.254 0.053 1 579 153 153 ILE CA C 58.748 0.085 1 580 153 153 ILE CB C 33.858 0 1 581 153 153 ILE C C 175.709 0 1 582 153 153 ILE H H 8.821 0.004 1 583 153 153 ILE N N 128.838 0.037 1 584 155 155 ASN CA C 53.283 0.086 1 585 155 155 ASN CB C 41.108 0.118 1 586 155 155 ASN C C 171.897 0.064 1 587 155 155 ASN H H 7.649 0.01 1 588 155 155 ASN N N 117.988 0.046 1 589 156 156 TYR CA C 57.287 0.091 1 590 156 156 TYR CB C 38.687 0 1 591 156 156 TYR C C 173.666 0 1 592 156 156 TYR H H 8.14 0.007 1 593 156 156 TYR N N 120.804 0.023 1 594 157 157 ARG CA C 53.538 0.052 1 595 157 157 ARG CB C 33.837 0.052 1 596 157 157 ARG C C 172.887 0.024 1 597 157 157 ARG H H 8.674 0.007 1 598 157 157 ARG N N 123.742 0 1 599 158 158 THR CA C 59.177 0.012 1 600 158 158 THR CB C 71.488 0.039 1 601 158 158 THR C C 174.015 0.022 1 602 158 158 THR H H 8.497 0.003 1 603 158 158 THR N N 109.444 0.026 1 604 159 159 ASP CA C 52.7 0.074 1 605 159 159 ASP CB C 40.698 0.073 1 606 159 159 ASP C C 177.959 0.024 1 607 159 159 ASP H H 8.608 0.005 1 608 159 159 ASP N N 121.151 0.057 1 609 160 160 ALA CA C 55.138 0.059 1 610 160 160 ALA CB C 17.63 0.089 1 611 160 160 ALA C C 179.613 0 1 612 160 160 ALA H H 9.674 0.004 1 613 160 160 ALA N N 125.753 0.035 1 614 161 161 LYS CA C 55.15 0.03 1 615 161 161 LYS CB C 31.027 0.099 1 616 161 161 LYS C C 174.87 0.025 1 617 161 161 LYS H H 7.591 0.007 1 618 161 161 LYS N N 112.875 0.026 1 619 162 162 GLN CA C 57.272 0.093 1 620 162 162 GLN CB C 25.083 0.047 1 621 162 162 GLN C C 173.794 0.035 1 622 162 162 GLN H H 7.582 0.006 1 623 162 162 GLN N N 116.157 0.034 1 624 163 163 LYS CA C 54.541 0 1 625 163 163 LYS CB C 33.703 0.029 1 626 163 163 LYS C C 176.42 0 1 627 163 163 LYS H H 9.865 0.01 1 628 163 163 LYS N N 118.063 0.044 1 629 169 169 GLY CA C 44.044 0.03 1 630 169 169 GLY C C 170.749 0 1 631 170 170 ILE CA C 58.733 0.029 1 632 170 170 ILE CB C 42.542 0.224 1 633 170 170 ILE C C 175.624 0 1 634 170 170 ILE H H 8.68 0.009 1 635 170 170 ILE N N 111.271 0.041 1 636 171 171 SER CA C 56.645 0.023 1 637 171 171 SER CB C 64.45 0.058 1 638 171 171 SER C C 172.863 0.03 1 639 171 171 SER H H 8.762 0.007 1 640 171 171 SER N N 115.637 0.016 1 641 172 172 ALA CA C 51.264 0.015 1 642 172 172 ALA CB C 18.164 0.047 1 643 172 172 ALA C C 176.855 0.031 1 644 172 172 ALA H H 8.716 0.004 1 645 172 172 ALA N N 127.627 0.036 1 646 173 173 GLN CA C 54.238 0.103 1 647 173 173 GLN CB C 29.317 0.088 1 648 173 173 GLN C C 175.452 0 1 649 173 173 GLN H H 8.415 0.003 1 650 173 173 GLN N N 122.933 0.04 1 651 174 174 GLN CA C 57.737 0 1 652 174 174 GLN C C 175.643 0 1 653 175 175 ASN CA C 53.761 0.012 1 654 175 175 ASN CB C 37.658 0.013 1 655 175 175 ASN C C 174.068 0 1 656 175 175 ASN H H 8.559 0.003 1 657 175 175 ASN N N 113.939 0.028 1 658 176 176 ARG CA C 54.581 0.038 1 659 176 176 ARG CB C 31.087 0.069 1 660 176 176 ARG C C 174.31 0.024 1 661 176 176 ARG H H 7.691 0.005 1 662 176 176 ARG N N 118.212 0.037 1 663 177 177 VAL CA C 61.987 0.037 1 664 177 177 VAL CB C 30.48 0.064 1 665 177 177 VAL C C 176.39 0.02 1 666 177 177 VAL H H 8.084 0.006 1 667 177 177 VAL N N 122.079 0.02 1 668 178 178 VAL CA C 61.592 0.048 1 669 178 178 VAL CB C 32.471 0.033 1 670 178 178 VAL C C 175.522 0.009 1 671 178 178 VAL H H 9.013 0.005 1 672 178 178 VAL N N 122.079 0.038 1 673 179 179 GLY CA C 44.322 0.089 1 674 179 179 GLY C C 172.733 0.027 1 675 179 179 GLY H H 8.294 0.003 1 676 179 179 GLY N N 115.795 0.037 1 677 180 180 ALA CA C 51.749 0.017 1 678 180 180 ALA CB C 21.16 0.097 1 679 180 180 ALA C C 174.152 0.042 1 680 180 180 ALA H H 9.011 0.002 1 681 180 180 ALA N N 129.774 0.053 1 682 181 181 MET CA C 52.721 0.058 1 683 181 181 MET CB C 34.987 0 1 684 181 181 MET C C 176.245 0 1 685 181 181 MET H H 8.833 0.001 1 686 181 181 MET N N 117.843 0.041 1 687 184 184 TYR CA C 56.526 0.056 1 688 184 184 TYR CB C 39.202 0.057 1 689 184 184 TYR C C 173.419 0 1 690 185 185 SER CA C 53.536 0.036 1 691 185 185 SER CB C 62.906 0.058 1 692 185 185 SER C C 173.911 0.018 1 693 185 185 SER H H 6.934 0.003 1 694 185 185 SER N N 119.448 0.028 1 695 186 186 VAL CA C 64.422 0.032 1 696 186 186 VAL CB C 31.556 0 1 697 186 186 VAL C C 177.843 0.036 1 698 186 186 VAL H H 7.642 0.006 1 699 186 186 VAL N N 127.48 0.063 1 700 187 187 ASP CA C 56.491 0.048 1 701 187 187 ASP CB C 39.613 0.072 1 702 187 187 ASP H H 7.856 0.003 1 703 187 187 ASP N N 115.429 0.048 1 704 188 188 ARG CA C 55.461 0.041 1 705 188 188 ARG CB C 29.776 0.088 1 706 188 188 ARG C C 175.555 0 1 707 188 188 ARG H H 7.389 0.007 1 708 188 188 ARG N N 115.187 0.047 1 709 189 189 LYS CA C 56.412 0.013 1 710 189 189 LYS CB C 27.645 0.077 1 711 189 189 LYS C C 175.719 0.036 1 712 189 189 LYS H H 7.788 0.004 1 713 189 189 LYS N N 115.907 0.047 1 714 190 190 VAL CA C 59.274 0.01 1 715 190 190 VAL CB C 35.358 0.056 1 716 190 190 VAL C C 175.032 0.007 1 717 190 190 VAL H H 6.268 0.008 1 718 190 190 VAL N N 112.276 0.04 1 719 191 191 SER CA C 57.861 0.038 1 720 191 191 SER CB C 64.926 0.047 1 721 191 191 SER C C 172.843 0.031 1 722 191 191 SER H H 8.917 0.002 1 723 191 191 SER N N 121.006 0.048 1 724 192 192 GLN CA C 51.443 0.102 1 725 192 192 GLN CB C 31.132 0.044 1 726 192 192 GLN C C 173.329 0 1 727 192 192 GLN H H 9.032 0.005 1 728 192 192 GLN N N 122.899 0.042 1 729 193 193 PRO CA C 60.834 0 1 730 193 193 PRO CB C 30.632 0.014 1 731 193 193 PRO C C 176.118 0 1 732 194 194 ILE CA C 59.337 0.071 1 733 194 194 ILE CB C 42.303 0.059 1 734 194 194 ILE C C 173.853 0 1 735 194 194 ILE H H 8.213 0.004 1 736 194 194 ILE N N 125.057 0.032 1 737 195 195 GLU CA C 55.096 0.084 1 738 195 195 GLU CB C 28.111 0.002 1 739 195 195 GLU C C 174.017 0.027 1 740 195 195 GLU H H 8.296 0.001 1 741 195 195 GLU N N 128.549 0.049 1 742 196 196 GLY CA C 45.055 0.073 1 743 196 196 GLY C C 169.937 0.029 1 744 196 196 GLY H H 6.582 0.007 1 745 196 196 GLY N N 110.575 0.019 1 746 197 197 HIS CA C 60.331 0.121 1 747 197 197 HIS CB C 35.052 0.177 1 748 197 197 HIS C C 175.1 0 1 749 197 197 HIS H H 8.674 0.006 1 750 197 197 HIS N N 115.722 0.042 1 751 198 198 ALA CA C 51.091 0.119 1 752 198 198 ALA CB C 21.049 0.108 1 753 198 198 ALA C C 174.799 0.052 1 754 198 198 ALA H H 7.699 0.007 1 755 198 198 ALA N N 117.533 0.041 1 756 199 199 ALA CA C 52.152 0.052 1 757 199 199 ALA CB C 25.101 0.122 1 758 199 199 ALA C C 176.261 0 1 759 199 199 ALA H H 8.469 0.003 1 760 199 199 ALA N N 122.645 0.033 1 761 200 200 SER CA C 57.573 0.115 1 762 200 200 SER CB C 64.7 0.032 1 763 200 200 SER C C 171.668 0.012 1 764 200 200 SER H H 8.562 0.007 1 765 200 200 SER N N 111.066 0.052 1 766 201 201 PHE CA C 57.212 0 1 767 201 201 PHE CB C 41.525 0.103 1 768 201 201 PHE H H 8.221 0.004 1 769 201 201 PHE N N 119.757 0.056 1 770 202 202 ALA CA C 51.36 0.081 1 771 202 202 ALA CB C 23.263 0.042 1 772 202 202 ALA C C 175.336 0.032 1 773 202 202 ALA H H 9.159 0.004 1 774 202 202 ALA N N 121.673 0.022 1 775 203 203 GLN CA C 53.123 0.036 1 776 203 203 GLN CB C 31.107 0.027 1 777 203 203 GLN C C 175.745 0.049 1 778 203 203 GLN H H 8.567 0.006 1 779 203 203 GLN N N 118.639 0.038 1 780 204 204 PHE CA C 57.133 0.072 1 781 204 204 PHE CB C 43.411 0.075 1 782 204 204 PHE C C 172.835 0 1 783 204 204 PHE H H 8.725 0.005 1 784 204 204 PHE N N 122.333 0.047 1 785 205 205 LYS CA C 54.161 0.045 1 786 205 205 LYS CB C 31.575 0.051 1 787 205 205 LYS C C 174 0.012 1 788 205 205 LYS H H 8.71 0.005 1 789 205 205 LYS N N 131.839 0.028 1 790 206 206 MET CA C 55.332 0.045 1 791 206 206 MET CB C 32.992 0.081 1 792 206 206 MET C C 176.767 0.019 1 793 206 206 MET H H 8.754 0.004 1 794 206 206 MET N N 127.705 0.035 1 795 207 207 GLU CA C 56.447 2.017 1 796 207 207 GLU CB C 28.358 0 1 797 207 207 GLU C C 177.661 0 1 798 207 207 GLU H H 8.794 0.004 1 799 207 207 GLU N N 124.74 0.036 1 800 208 208 GLY CA C 44.893 0 1 801 208 208 GLY C C 173.867 0 1 802 208 208 GLY H H 7.609 0 1 803 208 208 GLY N N 105.577 0 1 804 209 209 ASN CA C 50.406 0.075 1 805 209 209 ASN CB C 37.805 0.113 1 806 209 209 ASN C C 175.377 0.012 1 807 209 209 ASN H H 7.767 0.004 1 808 209 209 ASN N N 119.817 0.023 1 809 210 210 ALA CA C 53.118 0 1 810 210 210 ALA CB C 18.944 0.082 1 811 210 210 ALA C C 178.062 0.006 1 812 210 210 ALA H H 8.102 0.003 1 813 210 210 ALA N N 122.114 0.032 1 814 211 211 GLU CA C 53.154 0.014 1 815 211 211 GLU CB C 32.13 0.068 1 816 211 211 GLU C C 177.452 0.047 1 817 211 211 GLU H H 8.103 0.013 1 818 211 211 GLU N N 114.078 0.035 1 819 212 212 GLU CA C 57.405 0.07 1 820 212 212 GLU CB C 29.734 0.056 1 821 212 212 GLU C C 175.855 0.043 1 822 212 212 GLU H H 9.297 0.003 1 823 212 212 GLU N N 122.771 0.035 1 824 213 213 SER CA C 57.917 0.054 1 825 213 213 SER CB C 63.596 0.036 1 826 213 213 SER C C 172.879 0.099 1 827 213 213 SER H H 9.237 0.006 1 828 213 213 SER N N 119.687 0.034 1 829 214 214 THR CA C 62.489 0 1 830 214 214 THR CB C 69.111 0 1 831 214 214 THR H H 9.555 0.002 1 832 214 214 THR N N 122.908 0.033 1 833 219 219 ALA CA C 48.3 0.044 1 834 219 219 ALA CB C 23.338 0 1 835 219 219 ALA C C 176.173 0 1 836 220 220 VAL CA C 58.82 0.096 1 837 220 220 VAL CB C 36.663 0.074 1 838 220 220 VAL C C 172.669 0.026 1 839 220 220 VAL H H 9.494 0.004 1 840 220 220 VAL N N 121.924 0.018 1 841 221 221 ARG CA C 55.928 0.031 1 842 221 221 ARG CB C 32.608 2.838 1 843 221 221 ARG C C 174.893 0 1 844 221 221 ARG H H 9.496 0.008 1 845 221 221 ARG N N 128.692 0.028 1 846 222 222 GLY CA C 43.801 0.029 1 847 222 222 GLY C C 174.653 0 1 848 222 222 GLY H H 7.891 0.009 1 849 222 222 GLY N N 115.614 0.047 1 850 224 224 ALA CA C 51.163 0.058 1 851 224 224 ALA CB C 17.68 0 1 852 225 225 GLY CA C 43.763 0.027 1 853 225 225 GLY C C 174.422 0.062 1 854 225 225 GLY H H 7.503 0.008 1 855 225 225 GLY N N 106.07 0.018 1 856 226 226 GLY CA C 44.963 0.127 1 857 226 226 GLY C C 174 0.052 1 858 226 226 GLY H H 9.13 0.004 1 859 226 226 GLY N N 108.746 0.062 1 860 227 227 LYS CA C 57.92 0.012 1 861 227 227 LYS CB C 35.597 0.114 1 862 227 227 LYS C C 175.277 0.038 1 863 227 227 LYS H H 6.774 0.004 1 864 227 227 LYS N N 119.101 0.021 1 865 228 228 LEU CA C 50.933 0.058 1 866 228 228 LEU CB C 38.641 0 1 867 228 228 LEU C C 175.532 0 1 868 228 228 LEU H H 9.504 0.002 1 869 228 228 LEU N N 130.049 0.021 1 870 231 231 ILE CA C 58.38 0.014 1 871 231 231 ILE CB C 41.978 0.042 1 872 232 232 GLU CA C 55.339 0.059 1 873 232 232 GLU CB C 30.53 0.088 1 874 232 232 GLU C C 176.99 0.01 1 875 232 232 GLU H H 9.513 0.003 1 876 232 232 GLU N N 125.771 0.037 1 877 233 233 VAL CA C 59.246 0.024 1 878 233 233 VAL CB C 31.027 0.03 1 879 233 233 VAL C C 175.476 0.019 1 880 233 233 VAL H H 7.938 0.005 1 881 233 233 VAL N N 120.453 0.049 1 882 234 234 GLY CA C 43.862 0.077 1 883 234 234 GLY C C 172.989 0.093 1 884 234 234 GLY H H 7.993 0.005 1 885 234 234 GLY N N 108.594 0.032 1 886 235 235 THR CA C 59.74 0 1 887 235 235 THR CB C 69.505 0.015 1 888 235 235 THR H H 8.448 0.002 1 889 235 235 THR N N 117.738 0.035 1 890 237 237 PRO CA C 62.051 0.015 1 891 237 237 PRO CB C 31.561 0 1 892 237 237 PRO C C 175.948 0 1 893 238 238 THR CA C 64.64 0 1 894 238 238 THR CB C 68.249 0 1 895 238 238 THR C C 175.277 0 1 896 238 238 THR H H 8.35 0.002 1 897 238 238 THR N N 118.211 0.03 1 898 239 239 GLY CA C 44.681 0 1 899 239 239 GLY C C 174.387 0 1 900 240 240 ASN CA C 51.3 0.033 1 901 240 240 ASN CB C 38.598 0.019 1 902 240 240 ASN C C 176.322 0.014 1 903 240 240 ASN H H 8.202 0.003 1 904 240 240 ASN N N 121.002 0.021 1 905 241 241 GLN CA C 53.076 0.074 1 906 241 241 GLN CB C 27.731 0.015 1 907 241 241 GLN C C 174.566 0 1 908 241 241 GLN H H 9.117 0.004 1 909 241 241 GLN N N 120.126 0.046 1 910 242 242 PRO CA C 61.297 0.088 1 911 242 242 PRO CB C 31.416 0.059 1 912 242 242 PRO C C 175.97 0 1 913 243 243 PHE CA C 55.566 0 1 914 243 243 PHE CB C 39.039 0 1 915 243 243 PHE C C 174.282 0 1 916 243 243 PHE H H 8.892 0.006 1 917 243 243 PHE N N 126.135 0.048 1 918 244 244 PRO CA C 61.608 0 1 919 244 244 PRO CB C 30.087 0.029 1 920 244 244 PRO C C 174.931 0 1 921 245 245 LYS CA C 56.676 0.041 1 922 245 245 LYS CB C 32.241 0.088 1 923 245 245 LYS C C 176.765 0.048 1 924 245 245 LYS H H 7.997 0.001 1 925 245 245 LYS N N 124.415 0.032 1 926 246 246 LYS CA C 53.107 0.052 1 927 246 246 LYS CB C 33.943 0.05 1 928 246 246 LYS C C 175.983 0.096 1 929 246 246 LYS H H 8.832 0.004 1 930 246 246 LYS N N 119.803 0.046 1 931 247 247 ALA CA C 51.288 0.027 1 932 247 247 ALA CB C 19.867 0.032 1 933 247 247 ALA C C 176.113 0.005 1 934 247 247 ALA H H 8.308 0.004 1 935 247 247 ALA N N 125.818 0.036 1 936 248 248 VAL CA C 58.719 0.044 1 937 248 248 VAL CB C 34.671 0.063 1 938 248 248 VAL C C 174.588 0.009 1 939 248 248 VAL H H 8.821 0.007 1 940 248 248 VAL N N 118.302 0.042 1 941 249 249 ASP CA C 55.12 0.092 1 942 249 249 ASP CB C 40.953 0.023 1 943 249 249 ASP C C 175.594 0.004 1 944 249 249 ASP H H 8.351 0.005 1 945 249 249 ASP N N 121.433 0.042 1 946 250 250 VAL CA C 60.083 0.003 1 947 250 250 VAL CB C 32.909 0.059 1 948 250 250 VAL C C 174.334 0.071 1 949 250 250 VAL H H 7.21 0.009 1 950 250 250 VAL N N 121.347 0.049 1 951 251 251 PHE CA C 58.062 0.132 1 952 251 251 PHE CB C 39.291 0.101 1 953 251 251 PHE C C 173.63 0 1 954 251 251 PHE H H 8.633 0.006 1 955 251 251 PHE N N 127.968 0.026 1 956 252 252 PHE CA C 54.441 0.088 1 957 252 252 PHE CB C 39.99 0.015 1 958 252 252 PHE C C 171.72 0 1 959 252 252 PHE H H 7.357 0.007 1 960 252 252 PHE N N 123.098 0.036 1 961 254 254 PRO CA C 64.94 0 1 962 254 254 PRO CB C 30.755 0.059 1 963 254 254 PRO C C 177.88 0 1 964 255 255 GLU CA C 57.024 0.037 1 965 255 255 GLU CB C 27.047 0.083 1 966 255 255 GLU C C 176.409 0.046 1 967 255 255 GLU H H 9.26 0.004 1 968 255 255 GLU N N 114.577 0.054 1 969 256 256 ALA CA C 49.68 0.018 1 970 256 256 ALA CB C 17.627 0.064 1 971 256 256 ALA C C 177.642 0.04 1 972 256 256 ALA H H 7.918 0.002 1 973 256 256 ALA N N 127.142 0.03 1 974 257 257 GLN CA C 58.614 0 1 975 257 257 GLN CB C 27.839 0 1 976 257 257 GLN C C 176.096 0 1 977 257 257 GLN H H 7.768 0.003 1 978 257 257 GLN N N 120.355 0.036 1 979 258 258 ASN CA C 52.18 0 1 980 258 258 ASN CB C 37.547 0.059 1 981 258 258 ASN C C 174.22 0 1 982 259 259 ASP CA C 53.235 0.066 1 983 259 259 ASP CB C 41.517 0.066 1 984 259 259 ASP C C 175.289 0.014 1 985 259 259 ASP H H 6.802 0.007 1 986 259 259 ASP N N 117.7 0.033 1 987 260 260 PHE CA C 55.286 0 1 988 260 260 PHE CB C 35.096 0.058 1 989 260 260 PHE C C 171.32 0 1 990 260 260 PHE H H 8.003 0.007 1 991 260 260 PHE N N 115.7 0.036 1 992 261 261 PRO CA C 62.731 0.088 1 993 261 261 PRO CB C 31.389 0 1 994 261 261 PRO C C 174.306 0 1 995 262 262 VAL CA C 60.646 0 1 996 262 262 VAL CB C 33.424 0 1 997 262 262 VAL C C 175.095 0 1 998 262 262 VAL H H 9.027 0.005 1 999 262 262 VAL N N 113.127 0.047 1 1000 263 263 ALA CA C 51.45 0.089 1 1001 263 263 ALA CB C 23.066 0.039 1 1002 263 263 ALA C C 174.557 0.005 1 1003 263 263 ALA H H 7.847 0.006 1 1004 263 263 ALA N N 121.863 0.019 1 1005 264 264 MET CA C 54.091 0 1 1006 264 264 MET CB C 37.099 0.044 1 1007 264 264 MET C C 173.88 0 1 1008 264 264 MET H H 8.525 0.004 1 1009 264 264 MET N N 120.171 0.021 1 1010 265 265 GLN CA C 53.242 0.063 1 1011 265 265 GLN CB C 30.778 0.141 1 1012 265 265 GLN C C 173.456 0 1 1013 266 266 ILE CA C 59.767 0.111 1 1014 266 266 ILE CB C 39.067 0.072 1 1015 266 266 ILE C C 176.374 0.05 1 1016 266 266 ILE H H 9.3 0.105 1 1017 266 266 ILE N N 123.9 0.032 1 1018 267 267 SER CA C 55.882 0.045 1 1019 267 267 SER CB C 63.669 0.063 1 1020 267 267 SER C C 176.533 0.051 1 1021 267 267 SER H H 8.956 0.005 1 1022 267 267 SER N N 119.861 0.046 1 1023 268 268 GLU CA C 57.203 0.086 1 1024 268 268 GLU CB C 28.23 0.072 1 1025 268 268 GLU C C 176.15 0.068 1 1026 268 268 GLU H H 9.668 0.002 1 1027 268 268 GLU N N 130.769 0.055 1 1028 269 269 LYS CA C 57.577 0.071 1 1029 269 269 LYS CB C 32.616 0 1 1030 269 269 LYS C C 177.408 0 1 1031 269 269 LYS H H 7.28 0.006 1 1032 269 269 LYS N N 118.097 0.043 1 1033 276 276 ILE CA C 57.963 0 1 1034 277 277 THR CA C 59.721 0.064 1 1035 277 277 THR CB C 67.662 0.032 1 1036 277 277 THR C C 175.29 0.009 1 1037 277 277 THR H H 9.226 0.005 1 1038 277 277 THR N N 119.693 0.043 1 1039 278 278 LYS CA C 59.142 0.037 1 1040 278 278 LYS CB C 30.025 0.049 1 1041 278 278 LYS C C 177.498 0.037 1 1042 278 278 LYS H H 8.574 0.003 1 1043 278 278 LYS N N 127.244 0.025 1 1044 279 279 TYR CA C 56.988 0.093 1 1045 279 279 TYR CB C 36.235 0.038 1 1046 279 279 TYR C C 175.431 0 1 1047 279 279 TYR H H 9.799 0.006 1 1048 279 279 TYR N N 117.806 0.046 1 1049 280 280 GLY CA C 44.719 0.029 1 1050 280 280 GLY C C 174.589 0 1 1051 280 280 GLY H H 8.124 0.008 1 1052 280 280 GLY N N 104.624 0.024 1 1053 281 281 TYR CA C 57.763 0.042 1 1054 281 281 TYR CB C 37.267 0.044 1 1055 281 281 TYR C C 174.612 0.033 1 1056 281 281 TYR H H 7.92 0.006 1 1057 281 281 TYR N N 118.787 0.041 1 1058 282 282 ILE CA C 56.69 0 1 1059 282 282 ILE CB C 40.73 0 1 1060 282 282 ILE C C 174.767 0 1 1061 282 282 ILE H H 9.268 0.004 1 1062 282 282 ILE N N 119.222 0.036 1 1063 285 285 TYR CA C 55.251 0 1 1064 286 286 ASP CA C 54.055 0.104 1 1065 286 286 ASP CB C 42.336 0.007 1 1066 286 286 ASP C C 175.99 0.088 1 1067 286 286 ASP H H 8.802 0.144 1 1068 286 286 ASP N N 121.643 0.046 1 1069 287 287 LEU CA C 56.492 0.069 1 1070 287 287 LEU CB C 42.677 0.002 1 1071 287 287 LEU H H 8.422 0.004 1 1072 287 287 LEU N N 129.969 0.055 1 1073 288 288 GLU CA C 58.294 0.044 1 1074 288 288 GLU CB C 29.901 0 1 1075 288 288 GLU C C 176.73 0 1 1076 288 288 GLU H H 6.775 0.005 1 1077 288 288 GLU N N 110.107 0.032 1 1078 289 289 THR CA C 61.276 0 1 1079 290 290 GLY CA C 45.194 0.071 1 1080 290 290 GLY C C 172.332 0.036 1 1081 290 290 GLY H H 7.965 0.006 1 1082 290 290 GLY N N 111.559 0.053 1 1083 291 291 THR CA C 64.79 0.051 1 1084 291 291 THR CB C 69.085 0.019 1 1085 291 291 THR C C 174.076 0 1 1086 291 291 THR H H 7.648 0.003 1 1087 291 291 THR N N 114.156 0.026 1 1088 292 292 CYS CA C 59.441 0.038 1 1089 292 292 CYS CB C 26.29 0.058 1 1090 292 292 CYS H H 9.033 0.004 1 1091 292 292 CYS N N 128.023 0.047 1 1092 293 293 ILE CA C 61.677 0.024 1 1093 293 293 ILE CB C 38.801 0.057 1 1094 293 293 ILE C C 174.221 0 1 1095 293 293 ILE H H 8.949 0.004 1 1096 293 293 ILE N N 130.048 0.035 1 1097 294 294 TYR CA C 57.921 0.049 1 1098 294 294 TYR CB C 42.455 0.045 1 1099 294 294 TYR C C 172.305 0.025 1 1100 294 294 TYR H H 7.255 0.008 1 1101 294 294 TYR N N 116.637 0.033 1 1102 295 295 MET CA C 54.09 0.038 1 1103 295 295 MET CB C 36.288 0.049 1 1104 295 295 MET C C 174.144 0.016 1 1105 295 295 MET H H 7.167 0.002 1 1106 295 295 MET N N 123.407 0.035 1 1107 296 296 ASN CA C 52.721 0.039 1 1108 296 296 ASN CB C 41.551 0.06 1 1109 296 296 ASN C C 173.199 0 1 1110 296 296 ASN H H 8.526 0.005 1 1111 296 296 ASN N N 115.682 0.043 1 1112 300 300 GLY CA C 44.752 0.03 1 1113 301 301 GLU CA C 53.528 0.015 1 1114 301 301 GLU CB C 32.261 0.045 1 1115 301 301 GLU C C 176.902 0.022 1 1116 301 301 GLU H H 7.491 0.004 1 1117 301 301 GLU N N 116.716 0.015 1 1118 302 302 THR CA C 64.046 0.011 1 1119 302 302 THR CB C 69.841 0.071 1 1120 302 302 THR C C 174.403 0.019 1 1121 302 302 THR H H 9.079 0.004 1 1122 302 302 THR N N 118.585 0.042 1 1123 303 303 ILE CA C 60.63 0.024 1 1124 303 303 ILE CB C 36.782 0.058 1 1125 303 303 ILE C C 175.034 0 1 1126 303 303 ILE H H 9.039 0.006 1 1127 303 303 ILE N N 128.839 0.056 1 1128 304 304 PHE CA C 56.392 0.143 1 1129 304 304 PHE CB C 40.204 0 1 1130 304 304 PHE C C 173.878 0.006 1 1131 304 304 PHE H H 7.519 0.008 1 1132 304 304 PHE N N 120.648 0.024 1 1133 305 305 VAL CA C 60.626 0.03 1 1134 305 305 VAL CB C 33.364 0.074 1 1135 305 305 VAL C C 172.672 0.042 1 1136 305 305 VAL H H 6.922 0.006 1 1137 305 305 VAL N N 119.597 0.031 1 1138 306 306 THR CA C 59.45 0.038 1 1139 306 306 THR CB C 73.863 0.057 1 1140 306 306 THR C C 172.136 0.022 1 1141 306 306 THR H H 7.749 0.005 1 1142 306 306 THR N N 112.957 0.052 1 1143 307 307 ALA CA C 49.853 0.029 1 1144 307 307 ALA CB C 18.432 0.015 1 1145 307 307 ALA C C 173.569 0 1 1146 307 307 ALA H H 9.176 0.007 1 1147 307 307 ALA N N 120.515 0.057 1 1148 308 308 PRO CA C 62.819 0.131 1 1149 308 308 PRO CB C 34.966 0 1 1150 308 308 PRO C C 176.199 0 1 1151 309 309 HIS CA C 53.023 0.028 1 1152 309 309 HIS CB C 30.912 0.064 1 1153 309 309 HIS C C 175.696 0.063 1 1154 309 309 HIS H H 7.905 0.005 1 1155 309 309 HIS N N 125.384 0.047 1 1156 310 310 GLU CA C 59.755 0.076 1 1157 310 310 GLU CB C 28.441 0.107 1 1158 310 310 GLU C C 179.78 0 1 1159 310 310 GLU H H 9.172 0.006 1 1160 310 310 GLU N N 128.29 0.037 1 1161 311 311 ALA CA C 54.21 0.147 1 1162 311 311 ALA CB C 17.551 0.088 1 1163 311 311 ALA C C 178.874 0 1 1164 311 311 ALA H H 8.405 0.004 1 1165 311 311 ALA N N 118.602 0.013 1 1166 313 313 ALA CA C 53.148 0.014 1 1167 313 313 ALA CB C 17.727 0.1 1 1168 313 313 ALA C C 176.905 0.188 1 1169 313 313 ALA H H 7.98 0.009 1 1170 313 313 ALA N N 124.269 0 1 1171 314 314 GLY CA C 43.502 0.075 1 1172 314 314 GLY C C 173.869 0 1 1173 314 314 GLY H H 8.182 0.004 1 1174 314 314 GLY N N 106.914 0.01 1 1175 315 315 ILE CA C 58.317 0.102 1 1176 315 315 ILE CB C 41.614 0 1 1177 315 315 ILE H H 8.802 0.005 1 1178 315 315 ILE N N 123.527 0.034 1 1179 316 316 ILE CA C 57.102 0.055 1 1180 316 316 ILE CB C 41.359 0.086 1 1181 316 316 ILE C C 172.611 0 1 1182 316 316 ILE H H 8.856 0.007 1 1183 316 316 ILE N N 126.061 0.009 1 1184 317 317 GLY CA C 45.302 0.134 1 1185 317 317 GLY C C 170.332 0.005 1 1186 317 317 GLY H H 8.954 0.005 1 1187 317 317 GLY N N 110.394 0.046 1 1188 318 318 VAL CA C 59.719 0.029 1 1189 318 318 VAL CB C 32.901 0.043 1 1190 318 318 VAL C C 174.7 0.003 1 1191 318 318 VAL H H 7.033 0.007 1 1192 318 318 VAL N N 116.684 0.027 1 1193 319 319 ASN CA C 49.271 0.049 1 1194 319 319 ASN CB C 40.833 0.036 1 1195 319 319 ASN C C 179.389 0.034 1 1196 319 319 ASN H H 8.288 0.007 1 1197 319 319 ASN N N 120.867 0.033 1 1198 320 320 ARG CA C 58.154 0.086 1 1199 320 320 ARG CB C 29.529 0.111 1 1200 320 320 ARG C C 175.759 0.027 1 1201 320 320 ARG H H 7.887 0.005 1 1202 320 320 ARG N N 115.187 0.024 1 1203 321 321 LYS CA C 55.102 0.061 1 1204 321 321 LYS CB C 32.3 0.045 1 1205 321 321 LYS C C 177.386 0 1 1206 321 321 LYS H H 7.041 0.007 1 1207 321 321 LYS N N 113.487 0.056 1 1208 322 322 GLY CA C 45.336 0.123 1 1209 322 322 GLY C C 173.671 0.087 1 1210 322 322 GLY H H 8.546 0.003 1 1211 322 322 GLY N N 106.737 0.078 1 1212 323 323 GLN CA C 56.131 0.039 1 1213 323 323 GLN CB C 29.476 0.001 1 1214 323 323 GLN C C 174.447 0.061 1 1215 323 323 GLN H H 7.985 0.008 1 1216 323 323 GLN N N 120.016 0.029 1 1217 324 324 VAL CA C 61.049 0.08 1 1218 324 324 VAL CB C 30.47 0.037 1 1219 324 324 VAL C C 175.139 0.018 1 1220 324 324 VAL H H 8.523 0.006 1 1221 324 324 VAL N N 124.886 0.037 1 1222 325 325 LEU CA C 52.681 0.038 1 1223 325 325 LEU CB C 44.677 0.015 1 1224 325 325 LEU C C 174.209 0 1 1225 325 325 LEU H H 8.916 0.007 1 1226 325 325 LEU N N 127.776 0.033 1 1227 326 326 SER CA C 56.428 0.013 1 1228 326 326 SER CB C 66.374 0.019 1 1229 326 326 SER C C 172.966 0.084 1 1230 326 326 SER H H 9.256 0.007 1 1231 326 326 SER N N 115.055 0.02 1 1232 327 327 VAL CA C 59.76 0.017 1 1233 327 327 VAL CB C 34.794 0.029 1 1234 327 327 VAL C C 173.336 0 1 1235 327 327 VAL H H 8.486 0.004 1 1236 327 327 VAL N N 116.559 0.042 1 1237 328 328 CYS CA C 54.613 0.063 1 1238 328 328 CYS CB C 31.4 0.118 1 1239 328 328 CYS C C 173.619 0 1 1240 328 328 CYS H H 8.282 0.01 1 1241 328 328 CYS N N 118.328 0.06 1 1242 329 329 VAL CA C 63.52 0.053 1 1243 329 329 VAL CB C 31.244 0 1 1244 329 329 VAL C C 174.834 0.125 1 1245 329 329 VAL H H 9.222 0.007 1 1246 329 329 VAL N N 120.592 0.032 1 1247 330 330 GLU CA C 53.643 0.037 1 1248 330 330 GLU CB C 27.72 0.048 1 1249 330 330 GLU C C 175.951 0.011 1 1250 330 330 GLU H H 7.911 0.005 1 1251 330 330 GLU N N 129.285 0.03 1 1252 331 331 GLU CA C 60.006 0.1 1 1253 331 331 GLU CB C 28.347 0.105 1 1254 331 331 GLU C C 178.286 0.02 1 1255 331 331 GLU H H 8.761 0.001 1 1256 331 331 GLU N N 127.661 0.037 1 1257 332 332 GLU CA C 57.796 0.007 1 1258 332 332 GLU CB C 28.835 0.043 1 1259 332 332 GLU C C 176.333 0.084 1 1260 332 332 GLU H H 9.2 0.004 1 1261 332 332 GLU N N 117.45 0.034 1 1262 333 333 ASN CA C 51.838 0.063 1 1263 333 333 ASN CB C 40.578 0.054 1 1264 333 333 ASN C C 177.063 0.012 1 1265 333 333 ASN H H 7.313 0.005 1 1266 333 333 ASN N N 112.858 0.046 1 1267 334 334 ILE CA C 65.233 0 1 1268 334 334 ILE CB C 36.183 0 1 1269 334 334 ILE C C 174.482 0 1 1270 334 334 ILE H H 7.737 0.005 1 1271 334 334 ILE N N 120.816 0.04 1 1272 336 336 PRO CA C 65.513 0.015 1 1273 336 336 PRO CB C 29.712 0.058 1 1274 336 336 PRO C C 178.466 0 1 1275 337 337 TYR CA C 62.398 0.066 1 1276 337 337 TYR CB C 37.992 0.109 1 1277 337 337 TYR C C 178.033 0 1 1278 337 337 TYR H H 8.329 0.005 1 1279 337 337 TYR N N 118.7 0.035 1 1280 338 338 ILE CA C 65.077 0 1 1281 338 338 ILE CB C 37.498 0 1 1282 338 338 ILE C C 177.503 0.04 1 1283 338 338 ILE H H 8.626 0.003 1 1284 338 338 ILE N N 122.619 0.029 1 1285 339 339 THR CA C 67.171 0.044 1 1286 339 339 THR CB C 68.237 0.032 1 1287 339 339 THR C C 175.486 0 1 1288 339 339 THR H H 8.432 0.005 1 1289 339 339 THR N N 114.684 0.034 1 1290 340 340 ASN CA C 55.08 0.06 1 1291 340 340 ASN CB C 39.066 0.091 1 1292 340 340 ASN C C 175.851 0.028 1 1293 340 340 ASN H H 8.542 0.004 1 1294 340 340 ASN N N 115.425 0.037 1 1295 341 341 VAL CA C 64.383 0.087 1 1296 341 341 VAL CB C 29.831 0.15 1 1297 341 341 VAL C C 177.575 0.029 1 1298 341 341 VAL H H 8.103 0.006 1 1299 341 341 VAL N N 120.509 0.031 1 1300 342 342 LEU CA C 55.16 0.022 1 1301 342 342 LEU CB C 39.981 0.059 1 1302 342 342 LEU C C 176.851 0.001 1 1303 342 342 LEU H H 7.124 0.005 1 1304 342 342 LEU N N 115.898 0.039 1 1305 343 343 GLN CA C 55.542 0.038 1 1306 343 343 GLN CB C 24.87 0.044 1 1307 343 343 GLN C C 174.367 0.009 1 1308 343 343 GLN H H 6.581 0.008 1 1309 343 343 GLN N N 109.889 0.039 1 1310 344 344 ASN CA C 48.909 0.022 1 1311 344 344 ASN CB C 37.948 0.009 1 1312 344 344 ASN C C 171.892 0 1 1313 344 344 ASN H H 7.623 0.005 1 1314 344 344 ASN N N 114.045 0.028 1 1315 345 345 PRO CA C 64.305 0.103 1 1316 345 345 PRO CB C 30.702 0.044 1 1317 345 345 PRO C C 178.152 0 1 1318 346 346 ASP CA C 57.075 0.047 1 1319 346 346 ASP CB C 39.948 0.068 1 1320 346 346 ASP C C 178.624 0.074 1 1321 346 346 ASP H H 8.188 0.003 1 1322 346 346 ASP N N 118.095 0.058 1 1323 347 347 LEU CA C 56.516 0.037 1 1324 347 347 LEU CB C 40.473 0 1 1325 347 347 LEU C C 177.56 0.139 1 1326 347 347 LEU H H 7.437 0.003 1 1327 347 347 LEU N N 121.678 0.032 1 1328 348 348 ALA CA C 54.981 0.075 1 1329 348 348 ALA CB C 18.608 0.061 1 1330 348 348 ALA C C 178.619 0 1 1331 348 348 ALA H H 7.606 0.006 1 1332 348 348 ALA N N 120.56 0.026 1 1333 349 349 LEU CA C 57.422 0.01 1 1334 349 349 LEU CB C 40.584 0.097 1 1335 349 349 LEU C C 178.786 0 1 1336 349 349 LEU H H 7.967 0.005 1 1337 349 349 LEU N N 116.823 0.027 1 1338 350 350 ARG CA C 58.128 0.016 1 1339 350 350 ARG CB C 28.607 0.161 1 1340 350 350 ARG C C 178.729 0.033 1 1341 350 350 ARG H H 7.563 0.006 1 1342 350 350 ARG N N 117.854 0.036 1 1343 351 351 MET CA C 59.398 0.085 1 1344 351 351 MET CB C 31.867 0.067 1 1345 351 351 MET C C 177.683 0.011 1 1346 351 351 MET H H 8.591 0.003 1 1347 351 351 MET N N 117.401 0.015 1 1348 352 352 ALA CA C 55.137 0.093 1 1349 352 352 ALA CB C 17.663 0.091 1 1350 352 352 ALA C C 180.265 0.003 1 1351 352 352 ALA H H 8.375 0.009 1 1352 352 352 ALA N N 121.163 0.03 1 1353 353 353 VAL CA C 64.327 0.055 1 1354 353 353 VAL CB C 31.398 0.056 1 1355 353 353 VAL C C 178.768 0 1 1356 353 353 VAL H H 7.711 0.008 1 1357 353 353 VAL N N 115.176 0.044 1 1358 354 354 ARG CA C 58.531 0.154 1 1359 354 354 ARG CB C 31.092 0.032 1 1360 354 354 ARG C C 177.615 0.02 1 1361 354 354 ARG H H 8.472 0.005 1 1362 354 354 ARG N N 121.223 0.036 1 1363 355 355 ASN CA C 53.122 0.063 1 1364 355 355 ASN CB C 39.148 0.099 1 1365 355 355 ASN C C 173.744 0.044 1 1366 355 355 ASN H H 8.047 0.004 1 1367 355 355 ASN N N 112.378 0.056 1 1368 356 356 ASN CA C 54.075 0.03 1 1369 356 356 ASN CB C 36.648 0.025 1 1370 356 356 ASN C C 174.5 0.015 1 1371 356 356 ASN H H 7.624 0.007 1 1372 356 356 ASN N N 117.388 0.034 1 1373 357 357 LEU CA C 53.629 0.054 1 1374 357 357 LEU CB C 43.063 0.079 1 1375 357 357 LEU C C 176.513 0.05 1 1376 357 357 LEU H H 8.329 0.003 1 1377 357 357 LEU N N 119.144 0.033 1 1378 358 358 ALA CA C 51.855 0.069 1 1379 358 358 ALA CB C 18.907 0.017 1 1380 358 358 ALA C C 177.726 0 1 1381 358 358 ALA H H 8.376 0.003 1 1382 358 358 ALA N N 123.312 0.046 1 1383 359 359 GLY CA C 44.638 0.036 1 1384 359 359 GLY C C 174.543 0.006 1 1385 359 359 GLY H H 8.379 0.004 1 1386 359 359 GLY N N 106.917 0.03 1 1387 360 360 ALA CA C 51.82 0.039 1 1388 360 360 ALA CB C 18.413 0.049 1 1389 360 360 ALA C C 177.524 0.009 1 1390 360 360 ALA H H 8.441 0.003 1 1391 360 360 ALA N N 123.851 0.05 1 1392 361 361 GLU CA C 56.901 0.029 1 1393 361 361 GLU CB C 29.047 0.04 1 1394 361 361 GLU C C 176.45 0.018 1 1395 361 361 GLU H H 8.593 0.004 1 1396 361 361 GLU N N 119.765 0.033 1 1397 362 362 GLU CA C 55.821 0 1 1398 362 362 GLU CB C 29.267 0.001 1 1399 362 362 GLU C C 175.375 0.011 1 1400 362 362 GLU H H 8.277 0.002 1 1401 362 362 GLU N N 120.89 0.037 1 1402 363 363 LEU CA C 56.154 0 1 1403 363 363 LEU CB C 42.179 0 1 1404 363 363 LEU C C 182.316 0 1 1405 363 363 LEU H H 7.663 0.002 1 1406 363 363 LEU N N 128.713 0.038 1 stop_ save_