data_30741 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Atomic-Resolution Structure of HIV-1 Capsid Tubes by Magic Angle Spinning NMR ; _BMRB_accession_number 30741 _BMRB_flat_file_name bmr30741.str _Entry_type original _Submission_date 2020-03-25 _Accession_date 2020-03-25 _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 Lu M. . . 2 Russell R. W. . 3 Bryer A. . . 4 Quinn C. M. . 5 Hou G. . . 6 Zhang H. . . 7 Schwieters C. D. . 8 Perilla J. R. . 9 Gronenborn A. M. . 10 Polenova T. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "13C chemical shifts" 917 "15N chemical shifts" 209 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-08-31 original BMRB . stop_ _Original_release_date 2020-08-07 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Atomic-Resolution Structure of HIV-1 Capsid Tubes by Magic Angle Spinning NMR ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lu M. . . 2 Russell R. W. . 3 Bryer A. . . 4 Quinn C. M. . 5 Hou G. . . 6 Zhang H. . . 7 Schwieters C. D. . 8 Perilla J. R. . 9 Gronenborn A. M. . 10 Polenova T. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'HIV-1 capsid protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label unit_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 25630.426 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 231 _Mol_residue_sequence ; PIVQNLQGQMVHQAISPRTL NAWVKVVEEKAFSPEVIPMF SALSEGATPQDLNTMLNTVG GHQAAMQMLKETINEEAAEW DRLHPVHAGPIAPGQMREPR GSDIAGTTSTLQEQIGWMTH NPPIPVGEIYKRWIILGLNK IVRMYSPTSILDIRQGPKEP FRDYVDRFYKTLRAEQASQE VKNWMTETLLVQNANPDCKT ILKALGPGATLEEMMTACQG VGGPGHKARVL ; loop_ _Residue_seq_code _Residue_label 1 PRO 2 ILE 3 VAL 4 GLN 5 ASN 6 LEU 7 GLN 8 GLY 9 GLN 10 MET 11 VAL 12 HIS 13 GLN 14 ALA 15 ILE 16 SER 17 PRO 18 ARG 19 THR 20 LEU 21 ASN 22 ALA 23 TRP 24 VAL 25 LYS 26 VAL 27 VAL 28 GLU 29 GLU 30 LYS 31 ALA 32 PHE 33 SER 34 PRO 35 GLU 36 VAL 37 ILE 38 PRO 39 MET 40 PHE 41 SER 42 ALA 43 LEU 44 SER 45 GLU 46 GLY 47 ALA 48 THR 49 PRO 50 GLN 51 ASP 52 LEU 53 ASN 54 THR 55 MET 56 LEU 57 ASN 58 THR 59 VAL 60 GLY 61 GLY 62 HIS 63 GLN 64 ALA 65 ALA 66 MET 67 GLN 68 MET 69 LEU 70 LYS 71 GLU 72 THR 73 ILE 74 ASN 75 GLU 76 GLU 77 ALA 78 ALA 79 GLU 80 TRP 81 ASP 82 ARG 83 LEU 84 HIS 85 PRO 86 VAL 87 HIS 88 ALA 89 GLY 90 PRO 91 ILE 92 ALA 93 PRO 94 GLY 95 GLN 96 MET 97 ARG 98 GLU 99 PRO 100 ARG 101 GLY 102 SER 103 ASP 104 ILE 105 ALA 106 GLY 107 THR 108 THR 109 SER 110 THR 111 LEU 112 GLN 113 GLU 114 GLN 115 ILE 116 GLY 117 TRP 118 MET 119 THR 120 HIS 121 ASN 122 PRO 123 PRO 124 ILE 125 PRO 126 VAL 127 GLY 128 GLU 129 ILE 130 TYR 131 LYS 132 ARG 133 TRP 134 ILE 135 ILE 136 LEU 137 GLY 138 LEU 139 ASN 140 LYS 141 ILE 142 VAL 143 ARG 144 MET 145 TYR 146 SER 147 PRO 148 THR 149 SER 150 ILE 151 LEU 152 ASP 153 ILE 154 ARG 155 GLN 156 GLY 157 PRO 158 LYS 159 GLU 160 PRO 161 PHE 162 ARG 163 ASP 164 TYR 165 VAL 166 ASP 167 ARG 168 PHE 169 TYR 170 LYS 171 THR 172 LEU 173 ARG 174 ALA 175 GLU 176 GLN 177 ALA 178 SER 179 GLN 180 GLU 181 VAL 182 LYS 183 ASN 184 TRP 185 MET 186 THR 187 GLU 188 THR 189 LEU 190 LEU 191 VAL 192 GLN 193 ASN 194 ALA 195 ASN 196 PRO 197 ASP 198 CYS 199 LYS 200 THR 201 ILE 202 LEU 203 LYS 204 ALA 205 LEU 206 GLY 207 PRO 208 GLY 209 ALA 210 THR 211 LEU 212 GLU 213 GLU 214 MET 215 MET 216 THR 217 ALA 218 CYS 219 GLN 220 GLY 221 VAL 222 GLY 223 GLY 224 PRO 225 GLY 226 HIS 227 LYS 228 ALA 229 ARG 230 VAL 231 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 _Strain _Gene_mnemonic $entity_1 HIV-1 11676 Viruses . Lentivirus HIV-1 NL4-3 Gag-pol 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 $entity_1 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type 'gel solid' _Details '100 % [U-13C; U-15N] HIV-1 capsid protein, solid' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 100 % '[U-13C; U-15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type 'gel solid' _Details '100 % [1,6-13C]-Glucose,U-15N HIV-1 capsid protein, solid' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 100 % '[1,6-13C]-Glucose; U-15N' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type 'gel solid' _Details '100 % [2-13C]-Glucose,U-15N HIV-1 capsid protein, solid' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 100 % '[2-13C]-Glucose; U-15N' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type 'gel solid' _Details '100 % 13C,15N-His HIV-1 capsid protein, solid' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 100 % [13C,15N-His] stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type 'gel solid' _Details '100 % 13C,15N-Tyr HIV-1 capsid protein, solid' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 100 % [13C,15N-Tyr] stop_ save_ save_sample_6 _Saveframe_category sample _Sample_type 'gel solid' _Details '50 % 13C,15N-Ala HIV-1 capsid protein, 50 % 13C,15N-Ile HIV-1 capsid protein, solid' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 50 % [13C,15N-Ala] $entity_1 50 % [13C,15N-Ile] stop_ save_ save_sample_7 _Saveframe_category sample _Sample_type 'gel solid' _Details '50 % 13C,15N-Ala HIV-1 capsid protein, 50 % 13C,15N-Val HIV-1 capsid protein, solid' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 50 % [13C,15N-Ala] $entity_1 50 % [13C,15N-Val] stop_ save_ save_sample_8 _Saveframe_category sample _Sample_type 'gel solid' _Details '86 % HIV-1 capsid protein, 14 % U-13C,15N-CA HIV-1 capsid protein, solid' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 86 % 'natural abundance' $entity_1 14 % '[U-13C; 15N-CA]' stop_ save_ save_sample_9 _Saveframe_category sample _Sample_type 'gel solid' _Details '50 % [U-13C] HIV-1 capsid protein, 50 % [U-15N] HIV-1 capsid protein, solid' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 50 % [U-13C] $entity_1 50 % [U-15N] stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name TopSpin _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name 'CcpNmr Analysis' _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Sparky _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_6 _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement 'structure calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III' _Field_strength 850 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III' _Field_strength 600 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III' _Field_strength 500 _Details . save_ save_NMR_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer NHMFL _Model NHMFL _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_Exp1_CORD50ms_1 _Saveframe_category NMR_applied_experiment _Experiment_name Exp1_CORD50ms _Sample_label $sample_1 save_ save_Exp2_CORD500ms_2 _Saveframe_category NMR_applied_experiment _Experiment_name Exp2_CORD500ms _Sample_label $sample_1 save_ save_Exp3_DARR50ms_3 _Saveframe_category NMR_applied_experiment _Experiment_name Exp3_DARR50ms _Sample_label $sample_1 save_ save_Exp4_NCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name Exp4_NCA _Sample_label $sample_1 save_ save_Exp5_NCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name Exp5_NCA _Sample_label $sample_1 save_ save_Exp6_NCACX_6 _Saveframe_category NMR_applied_experiment _Experiment_name Exp6_NCACX _Sample_label $sample_1 save_ save_Exp7_NCACX_7 _Saveframe_category NMR_applied_experiment _Experiment_name Exp7_NCACX _Sample_label $sample_1 save_ save_Exp8_NCOCX_8 _Saveframe_category NMR_applied_experiment _Experiment_name Exp8_NCOCX _Sample_label $sample_1 save_ save_Exp9_NCOCX3d_9 _Saveframe_category NMR_applied_experiment _Experiment_name Exp9_NCOCX3d _Sample_label $sample_1 save_ save_Exp10_CONCA3d_10 _Saveframe_category NMR_applied_experiment _Experiment_name Exp10_CONCA3d _Sample_label $sample_1 save_ save_Exp11_NCACX3d_11 _Saveframe_category NMR_applied_experiment _Experiment_name Exp11_NCACX3d _Sample_label $sample_1 save_ save_Exp12_NCOCX3d_12 _Saveframe_category NMR_applied_experiment _Experiment_name Exp12_NCOCX3d _Sample_label $sample_1 save_ save_Exp13_CORD10ms_13 _Saveframe_category NMR_applied_experiment _Experiment_name Exp13_CORD10ms _Sample_label $sample_2 save_ save_Exp14_CORD20ms_14 _Saveframe_category NMR_applied_experiment _Experiment_name Exp14_CORD20ms _Sample_label $sample_2 save_ save_Exp15_CORD50ms_15 _Saveframe_category NMR_applied_experiment _Experiment_name Exp15_CORD50ms _Sample_label $sample_2 save_ save_Exp16_CORD100ms_16 _Saveframe_category NMR_applied_experiment _Experiment_name Exp16_CORD100ms _Sample_label $sample_2 save_ save_Exp17_CORD200ms_17 _Saveframe_category NMR_applied_experiment _Experiment_name Exp17_CORD200ms _Sample_label $sample_2 save_ save_Exp18_CORD300ms_18 _Saveframe_category NMR_applied_experiment _Experiment_name Exp18_CORD300ms _Sample_label $sample_2 save_ save_Exp19_CORD400ms_19 _Saveframe_category NMR_applied_experiment _Experiment_name Exp19_CORD400ms _Sample_label $sample_2 save_ save_Exp20_CORD500ms_20 _Saveframe_category NMR_applied_experiment _Experiment_name Exp20_CORD500ms _Sample_label $sample_2 save_ save_Exp21_CORD500ms_21 _Saveframe_category NMR_applied_experiment _Experiment_name Exp21_CORD500ms _Sample_label $sample_2 save_ save_Exp22_NCACX_22 _Saveframe_category NMR_applied_experiment _Experiment_name Exp22_NCACX _Sample_label $sample_2 save_ save_Exp23_CORD25ms_23 _Saveframe_category NMR_applied_experiment _Experiment_name Exp23_CORD25ms _Sample_label $sample_3 save_ save_Exp24_CORD500ms_24 _Saveframe_category NMR_applied_experiment _Experiment_name Exp24_CORD500ms _Sample_label $sample_3 save_ save_Exp25_CORD500ms_25 _Saveframe_category NMR_applied_experiment _Experiment_name Exp25_CORD500ms _Sample_label $sample_3 save_ save_Exp26_PAINCP_26 _Saveframe_category NMR_applied_experiment _Experiment_name Exp26_PAINCP _Sample_label $sample_3 save_ save_Exp27_CORD25ms_27 _Saveframe_category NMR_applied_experiment _Experiment_name Exp27_CORD25ms _Sample_label $sample_4 save_ save_Exp28_R211_28 _Saveframe_category NMR_applied_experiment _Experiment_name Exp28_R211 _Sample_label $sample_5 save_ save_Exp29_REDOR1ms_29 _Saveframe_category NMR_applied_experiment _Experiment_name Exp29_REDOR1ms _Sample_label $sample_5 save_ save_Exp30_REDOR1.6ms_30 _Saveframe_category NMR_applied_experiment _Experiment_name Exp30_REDOR1.6ms _Sample_label $sample_5 save_ save_Exp31_REDOR2ms_31 _Saveframe_category NMR_applied_experiment _Experiment_name Exp31_REDOR2ms _Sample_label $sample_5 save_ save_Exp32_CORD50ms_32 _Saveframe_category NMR_applied_experiment _Experiment_name Exp32_CORD50ms _Sample_label $sample_6 save_ save_Exp33_PDSD1s_33 _Saveframe_category NMR_applied_experiment _Experiment_name Exp33_PDSD1s _Sample_label $sample_6 save_ save_Exp34_CORD50ms_34 _Saveframe_category NMR_applied_experiment _Experiment_name Exp34_CORD50ms _Sample_label $sample_7 save_ save_Exp35_CORD500ms_35 _Saveframe_category NMR_applied_experiment _Experiment_name Exp35_CORD500ms _Sample_label $sample_8 save_ save_Exp36_NHHC3ms_36 _Saveframe_category NMR_applied_experiment _Experiment_name Exp36_NHHC3ms _Sample_label $sample_9 save_ save_Exp37_NHHC5ms_37 _Saveframe_category NMR_applied_experiment _Experiment_name Exp37_NHHC5ms _Sample_label $sample_9 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 2.4 . M pH 6 . pH pressure 1 . atm temperature 277 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 adamantane C 13 'methyl carbons' ppm 40.5 external direct . . . 0.25144953 'ammonium chloride' N 15 nitrogen ppm 39.3 external direct . . . 0.10132912 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label Exp1_CORD50ms Exp2_CORD500ms Exp3_DARR50ms Exp4_NCA Exp5_NCA Exp6_NCACX Exp7_NCACX Exp8_NCOCX Exp9_NCOCX3d Exp10_CONCA3d Exp11_NCACX3d Exp12_NCOCX3d Exp13_CORD10ms Exp14_CORD20ms Exp15_CORD50ms Exp16_CORD100ms Exp17_CORD200ms Exp18_CORD300ms Exp19_CORD400ms Exp20_CORD500ms Exp21_CORD500ms Exp22_NCACX Exp23_CORD25ms Exp24_CORD500ms Exp25_CORD500ms Exp26_PAINCP Exp27_CORD25ms Exp28_R211 Exp29_REDOR1ms Exp30_REDOR1.6ms Exp31_REDOR2ms Exp32_CORD50ms Exp33_PDSD1s Exp34_CORD50ms Exp35_CORD500ms Exp36_NHHC3ms Exp37_NHHC5ms stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 $sample_4 $sample_5 $sample_6 $sample_7 $sample_8 $sample_9 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name unit_1 _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 PRO CA C 62.470 0.028 1 2 1 1 PRO CB C 32.994 0.749 1 3 1 1 PRO CG C 24.808 0.048 1 4 1 1 PRO CD C 50.168 0.069 1 5 2 2 ILE C C 174.955 0.0 1 6 2 2 ILE CA C 61.993 0.06 1 7 2 2 ILE CB C 38.663 1.154 1 8 2 2 ILE CG1 C 28.159 0.024 1 9 2 2 ILE CG2 C 17.353 0.033 1 10 2 2 ILE N N 121.316 0.043 1 11 3 3 VAL CA C 59.039 0.052 1 12 3 3 VAL CB C 35.546 0.043 1 13 3 3 VAL CG1 C 21.359 0.089 2 14 3 3 VAL CG2 C 20.020 1.245 2 15 3 3 VAL N N 122.200 0.0 1 16 4 4 GLN C C 179.198 0.0 1 17 4 4 GLN CA C 54.396 0.046 1 18 4 4 GLN CB C 29.903 0.019 1 19 4 4 GLN N N 122.367 0.135 1 20 5 5 ASN CA C 50.739 0.083 1 21 5 5 ASN CB C 39.316 0.042 1 22 6 6 LEU CA C 57.690 0.015 1 23 6 6 LEU CB C 41.701 0.02 1 24 6 6 LEU CG C 26.064 0.059 1 25 6 6 LEU N N 116.802 0.287 1 26 7 7 GLN CA C 59.926 0.036 1 27 7 7 GLN CB C 28.032 0.023 1 28 7 7 GLN CG C 33.656 0.035 1 29 7 7 GLN N N 117.491 0.13 1 30 8 8 GLY C C 176.085 . 1 31 8 8 GLY CA C 47.212 0.036 1 32 8 8 GLY N N 110.600 . 1 33 9 9 GLN CA C 54.200 0.028 1 34 9 9 GLN CB C 29.744 0.012 1 35 9 9 GLN CG C 33.806 0.044 1 36 9 9 GLN CD C 180.296 0.008 1 37 9 9 GLN N N 121.319 0.046 1 38 10 10 MET CA C 54.929 0.048 1 39 10 10 MET CB C 31.462 0.031 1 40 10 10 MET CG C 34.602 0.026 1 41 11 11 VAL CA C 59.302 0.042 1 42 11 11 VAL CB C 35.998 0.042 1 43 11 11 VAL CG1 C 21.717 0.042 2 44 11 11 VAL CG2 C 19.210 0.068 2 45 11 11 VAL N N 119.458 0.103 1 46 12 12 HIS C C 174.791 0.071 1 47 12 12 HIS CA C 57.371 0.111 1 48 12 12 HIS CB C 32.333 0.188 1 49 12 12 HIS CG C 137.559 0.077 1 50 12 12 HIS CD2 C 115.775 0.097 1 51 12 12 HIS N N 120.766 0.103 1 52 13 13 GLN CA C 53.930 0.073 1 53 13 13 GLN CB C 32.301 0.02 1 54 13 13 GLN CG C 33.210 0.0 1 55 13 13 GLN N N 125.700 . 1 56 14 14 ALA C C 175.403 0.0 1 57 14 14 ALA CA C 51.802 0.014 1 58 14 14 ALA CB C 18.897 0.053 1 59 14 14 ALA N N 125.100 . 1 60 15 15 ILE C C 175.348 0.0 1 61 15 15 ILE CA C 62.101 0.066 1 62 15 15 ILE CB C 38.850 0.026 1 63 15 15 ILE CG1 C 28.501 0.081 1 64 15 15 ILE CG2 C 16.873 0.07 1 65 15 15 ILE CD1 C 14.960 0.032 1 66 15 15 ILE N N 122.690 0.023 1 67 16 16 SER C C 174.459 . 1 68 16 16 SER CA C 56.094 0.088 1 69 16 16 SER CB C 63.696 0.055 1 70 16 16 SER N N 124.192 0.021 1 71 17 17 PRO C C 178.144 . 1 72 17 17 PRO CA C 65.500 0.052 1 73 17 17 PRO CB C 31.970 0.0 1 74 17 17 PRO CG C 28.054 0.041 1 75 17 17 PRO CD C 50.630 0.05 1 76 17 17 PRO N N 137.200 . 1 77 18 18 ARG C C 179.562 0.0 1 78 18 18 ARG CA C 59.559 0.028 1 79 18 18 ARG CB C 30.240 0.0 1 80 18 18 ARG CG C 27.772 0.013 1 81 18 18 ARG CD C 43.701 0.004 1 82 18 18 ARG CZ C 159.089 0.0 1 83 18 18 ARG N N 116.162 0.108 1 84 19 19 THR C C 175.575 0.0 1 85 19 19 THR CA C 66.906 0.062 1 86 19 19 THR CB C 68.173 0.049 1 87 19 19 THR CG2 C 23.231 0.05 1 88 19 19 THR N N 120.000 . 1 89 20 20 LEU C C 178.200 0.015 1 90 20 20 LEU CA C 58.095 0.063 1 91 20 20 LEU CB C 40.693 0.059 1 92 20 20 LEU CG C 26.636 0.059 1 93 20 20 LEU CD1 C 25.158 0.021 2 94 20 20 LEU CD2 C 25.150 0.034 2 95 20 20 LEU N N 121.900 0.0 1 96 21 21 ASN C C 178.285 . 1 97 21 21 ASN CA C 56.159 0.077 1 98 21 21 ASN CB C 38.411 0.045 1 99 21 21 ASN N N 115.500 . 1 100 22 22 ALA C C 180.183 . 1 101 22 22 ALA CA C 54.940 0.042 1 102 22 22 ALA CB C 18.423 0.044 1 103 22 22 ALA N N 122.100 0.0 1 104 23 23 TRP C C 175.467 . 1 105 23 23 TRP CA C 58.389 0.071 1 106 23 23 TRP CB C 30.151 0.059 1 107 23 23 TRP CG C 111.567 0.072 1 108 23 23 TRP CD1 C 127.953 0.968 1 109 23 23 TRP CD2 C 130.090 0.08 1 110 23 23 TRP CE2 C 139.341 0.041 1 111 23 23 TRP CE3 C 121.675 0.033 1 112 23 23 TRP CZ2 C 113.251 0.091 1 113 23 23 TRP N N 119.900 0.0 1 114 24 24 VAL C C 175.886 . 1 115 24 24 VAL CA C 66.030 0.066 1 116 24 24 VAL CB C 31.052 0.068 1 117 24 24 VAL CG1 C 24.116 0.046 2 118 24 24 VAL CG2 C 22.987 0.948 2 119 24 24 VAL N N 118.100 . 1 120 25 25 LYS C C 178.165 . 1 121 25 25 LYS CA C 60.156 0.035 1 122 25 25 LYS CB C 32.192 0.013 1 123 25 25 LYS CG C 25.011 0.059 1 124 25 25 LYS CD C 29.386 0.041 1 125 25 25 LYS CE C 41.977 0.035 1 126 25 25 LYS N N 117.900 . 1 127 26 26 VAL C C 177.602 0.0 1 128 26 26 VAL CA C 66.049 0.063 1 129 26 26 VAL CB C 30.897 0.071 1 130 26 26 VAL CG1 C 23.131 0.992 2 131 26 26 VAL CG2 C 22.123 0.043 2 132 26 26 VAL N N 119.500 . 1 133 27 27 VAL C C 178.164 . 1 134 27 27 VAL CA C 65.679 0.038 1 135 27 27 VAL CB C 30.661 0.081 1 136 27 27 VAL CG1 C 22.088 0.045 2 137 27 27 VAL CG2 C 22.087 0.033 2 138 27 27 VAL N N 120.100 . 1 139 28 28 GLU C C 176.636 . 1 140 28 28 GLU CA C 59.074 0.038 1 141 28 28 GLU CB C 29.504 0.028 1 142 28 28 GLU CG C 37.280 0.0 1 143 28 28 GLU CD C 183.416 0.047 1 144 28 28 GLU N N 119.800 0.0 1 145 29 29 GLU C C 177.506 0.0 1 146 29 29 GLU CA C 58.297 0.004 1 147 29 29 GLU CB C 30.966 0.002 1 148 29 29 GLU CG C 36.747 0.08 1 149 29 29 GLU CD C 183.300 0.0 1 150 29 29 GLU N N 115.700 0.0 1 151 30 30 LYS C C 176.371 . 1 152 30 30 LYS CA C 55.792 0.027 1 153 30 30 LYS CB C 33.157 0.034 1 154 30 30 LYS CD C 27.197 0.02 1 155 30 30 LYS CE C 42.051 0.027 1 156 30 30 LYS N N 115.600 0.0 1 157 31 31 ALA C C 177.758 0.0 1 158 31 31 ALA CA C 52.991 0.037 1 159 31 31 ALA CB C 17.373 0.052 1 160 31 31 ALA N N 123.300 0.0 1 161 32 32 PHE C C 175.803 0.0 1 162 32 32 PHE CA C 58.261 0.054 1 163 32 32 PHE CB C 38.158 0.062 1 164 32 32 PHE CD1 C 132.361 0.088 1 165 32 32 PHE CD2 C 132.361 0.088 1 166 32 32 PHE N N 114.100 . 1 167 33 33 SER C C 176.799 0.0 1 168 33 33 SER CA C 57.924 0.035 1 169 33 33 SER CB C 63.275 0.041 1 170 33 33 SER N N 117.000 . 1 171 34 34 PRO C C 178.346 . 1 172 34 34 PRO CA C 66.505 0.028 1 173 34 34 PRO CB C 31.681 0.038 1 174 34 34 PRO CG C 28.169 0.005 1 175 34 34 PRO CD C 50.589 0.071 1 176 35 35 GLU C C 178.667 . 1 177 35 35 GLU CA C 58.506 0.03 1 178 35 35 GLU CB C 29.869 0.012 1 179 35 35 GLU CG C 36.567 0.027 1 180 35 35 GLU CD C 183.010 0.0 1 181 35 35 GLU N N 114.800 0.0 1 182 36 36 VAL C C 178.732 . 1 183 36 36 VAL CA C 66.582 0.057 1 184 36 36 VAL CB C 31.751 0.06 1 185 36 36 VAL CG1 C 22.677 0.069 2 186 36 36 VAL CG2 C 21.864 0.024 2 187 36 36 VAL N N 116.500 . 1 188 37 37 ILE C C 176.228 0.0 1 189 37 37 ILE CA C 67.834 0.053 1 190 37 37 ILE CB C 34.744 0.05 1 191 37 37 ILE CG1 C 30.370 0.005 1 192 37 37 ILE CG2 C 18.799 0.073 1 193 37 37 ILE CD1 C 13.666 0.039 1 194 37 37 ILE N N 118.700 0.0 1 195 38 38 PRO CA C 65.034 0.025 1 196 38 38 PRO CB C 30.538 0.033 1 197 38 38 PRO CG C 28.256 0.034 1 198 38 38 PRO CD C 49.069 0.032 1 199 39 39 MET C C 178.655 0.0 1 200 39 39 MET CA C 58.257 0.061 1 201 39 39 MET CB C 32.594 0.04 1 202 39 39 MET N N 115.300 0.0 1 203 40 40 PHE C C 179.635 . 1 204 40 40 PHE CA C 61.774 0.078 1 205 40 40 PHE CB C 38.096 0.059 1 206 40 40 PHE CD1 C 130.915 0.103 1 207 40 40 PHE CD2 C 130.915 0.103 1 208 40 40 PHE N N 120.400 0.0 1 209 41 41 SER C C 175.936 0.0 1 210 41 41 SER CA C 62.459 0.074 1 211 41 41 SER CB C 62.535 0.04 1 212 41 41 SER N N 114.900 0.0 1 213 42 42 ALA C C 180.846 0.0 1 214 42 42 ALA CA C 54.306 0.02 1 215 42 42 ALA CB C 19.305 0.03 1 216 42 42 ALA N N 122.200 0.0 1 217 43 43 LEU C C 176.005 0.028 1 218 43 43 LEU CA C 55.826 0.052 1 219 43 43 LEU CB C 42.028 0.049 1 220 43 43 LEU CG C 27.099 0.071 1 221 43 43 LEU CD1 C 22.565 0.013 2 222 43 43 LEU CD2 C 22.558 0.032 2 223 43 43 LEU N N 116.500 . 1 224 44 44 SER C C 174.822 . 1 225 44 44 SER CA C 57.153 0.057 1 226 44 44 SER CB C 63.754 0.063 1 227 44 44 SER N N 109.100 . 1 228 45 45 GLU CA C 58.285 0.062 1 229 45 45 GLU CB C 28.728 0.072 1 230 45 45 GLU CG C 34.971 0.047 1 231 45 45 GLU N N 125.500 . 1 232 46 46 GLY C C 174.691 0.0 1 233 46 46 GLY CA C 45.751 0.052 1 234 46 46 GLY N N 116.000 . 1 235 47 47 ALA C C 178.924 . 1 236 47 47 ALA CA C 53.081 0.056 1 237 47 47 ALA CB C 20.407 0.065 1 238 47 47 ALA N N 119.900 0.0 1 239 48 48 THR C C 174.466 0.0 1 240 48 48 THR CA C 59.793 0.037 1 241 48 48 THR CB C 69.526 0.072 1 242 48 48 THR CG2 C 22.086 0.048 1 243 48 48 THR N N 109.200 0.0 1 244 49 49 PRO CA C 67.265 0.036 1 245 49 49 PRO CB C 30.319 0.058 1 246 49 49 PRO CD C 49.674 0.069 1 247 49 49 PRO N N 133.800 0.0 1 248 50 50 GLN C C 178.645 0.0 1 249 50 50 GLN CA C 60.405 0.058 1 250 50 50 GLN CB C 29.299 0.03 1 251 50 50 GLN CG C 34.312 0.036 1 252 50 50 GLN N N 115.800 0.0 1 253 51 51 ASP C C 177.839 0.0 1 254 51 51 ASP CA C 57.730 0.044 1 255 51 51 ASP CB C 41.278 0.06 1 256 51 51 ASP N N 119.400 0.0 1 257 52 52 LEU CA C 57.898 0.071 1 258 52 52 LEU CB C 41.531 0.04 1 259 52 52 LEU CD1 C 27.187 0.054 2 260 52 52 LEU CD2 C 27.047 0.117 2 261 52 52 LEU N N 120.200 . 1 262 53 53 ASN C C 178.443 0.0 1 263 53 53 ASN CA C 56.989 0.02 1 264 53 53 ASN CB C 38.315 0.026 1 265 53 53 ASN N N 118.200 0.0 1 266 54 54 THR C C 176.212 0.0 1 267 54 54 THR CA C 67.473 0.064 1 268 54 54 THR CB C 68.319 0.055 1 269 54 54 THR CG2 C 23.560 0.04 1 270 54 54 THR N N 119.700 0.0 1 271 55 55 MET C C 179.461 . 1 272 55 55 MET CA C 60.434 0.058 1 273 55 55 MET CB C 32.899 0.041 1 274 55 55 MET CE C 15.949 0.045 1 275 55 55 MET N N 119.800 0.0 1 276 56 56 LEU C C 180.300 0.0 1 277 56 56 LEU CA C 58.583 0.063 1 278 56 56 LEU CB C 41.631 0.032 1 279 56 56 LEU CG C 27.030 0.071 1 280 56 56 LEU N N 121.300 0.0 1 281 57 57 ASN C C 176.745 . 1 282 57 57 ASN CA C 54.876 0.053 1 283 57 57 ASN CB C 37.704 0.044 1 284 57 57 ASN N N 115.100 . 1 285 58 58 THR C C 174.339 0.0 1 286 58 58 THR CA C 63.618 0.054 1 287 58 58 THR CB C 69.667 0.024 1 288 58 58 THR CG2 C 23.474 0.024 1 289 58 58 THR N N 107.700 0.0 1 290 59 59 VAL C C 176.564 . 1 291 59 59 VAL CA C 62.335 0.059 1 292 59 59 VAL CB C 33.026 0.017 1 293 59 59 VAL CG1 C 21.173 0.046 2 294 59 59 VAL CG2 C 21.208 0.052 2 295 59 59 VAL N N 121.200 0.0 1 296 60 60 GLY C C 177.249 0.0 1 297 60 60 GLY CA C 45.502 0.048 1 298 60 60 GLY N N 116.400 0.0 1 299 61 61 GLY C C 174.930 . 1 300 61 61 GLY CA C 47.254 0.048 1 301 61 61 GLY N N 106.300 . 1 302 62 62 HIS C C 177.227 0.209 1 303 62 62 HIS CA C 56.718 0.075 1 304 62 62 HIS CB C 28.026 0.125 1 305 62 62 HIS CG C 135.795 0.05 1 306 62 62 HIS CD2 C 119.751 0.114 1 307 62 62 HIS N N 118.300 . 1 308 63 63 GLN C C 179.597 0.0 1 309 63 63 GLN CA C 60.124 0.031 1 310 63 63 GLN CB C 28.809 0.014 1 311 63 63 GLN CG C 32.930 0.0 1 312 63 63 GLN N N 118.100 0.0 1 313 64 64 ALA C C 178.439 0.0 1 314 64 64 ALA CA C 54.686 0.057 1 315 64 64 ALA CB C 18.130 0.0 1 316 64 64 ALA N N 121.800 0.0 1 317 65 65 ALA C C 180.155 . 1 318 65 65 ALA CA C 54.873 0.014 1 319 65 65 ALA CB C 18.765 0.043 1 320 65 65 ALA N N 120.900 0.0 1 321 66 66 MET C C 178.575 0.0 1 322 66 66 MET CA C 56.446 0.049 1 323 66 66 MET CB C 29.447 0.009 1 324 66 66 MET CG C 31.828 0.047 1 325 66 66 MET N N 113.500 . 1 326 67 67 GLN C C 178.777 0.0 1 327 67 67 GLN CA C 58.270 0.034 1 328 67 67 GLN CB C 27.293 0.013 1 329 67 67 GLN CG C 32.666 0.018 1 330 67 67 GLN CD C 181.522 0.0 1 331 67 67 GLN N N 120.400 0.0 1 332 68 68 MET C C 178.110 0.0 1 333 68 68 MET CA C 58.272 0.029 1 334 68 68 MET CB C 32.655 0.405 1 335 68 68 MET CE C 17.960 0.0 1 336 68 68 MET N N 119.500 . 1 337 69 69 LEU C C 179.501 0.029 1 338 69 69 LEU CA C 58.917 0.046 1 339 69 69 LEU CB C 41.838 0.058 1 340 69 69 LEU CG C 27.072 0.059 1 341 69 69 LEU N N 122.700 0.0 1 342 70 70 LYS C C 178.630 0.0 1 343 70 70 LYS CA C 60.027 0.033 1 344 70 70 LYS CB C 31.890 . 1 345 70 70 LYS CG C 25.419 0.042 1 346 70 70 LYS CD C 29.073 0.0 1 347 70 70 LYS CE C 42.050 0.036 1 348 70 70 LYS N N 119.000 . 1 349 71 71 GLU C C 178.217 0.0 1 350 71 71 GLU CA C 60.017 0.039 1 351 71 71 GLU CB C 29.720 0.001 1 352 71 71 GLU CG C 36.726 0.03 1 353 71 71 GLU CD C 183.000 0.0 1 354 71 71 GLU N N 118.700 0.0 1 355 72 72 THR C C 176.731 0.0 1 356 72 72 THR CA C 67.278 0.038 1 357 72 72 THR CB C 68.159 0.04 1 358 72 72 THR CG2 C 21.512 0.081 1 359 72 72 THR N N 117.900 0.0 1 360 73 73 ILE C C 176.871 . 1 361 73 73 ILE CA C 65.933 0.042 1 362 73 73 ILE CB C 37.969 0.062 1 363 73 73 ILE CG1 C 29.612 0.056 1 364 73 73 ILE CG2 C 18.337 0.051 1 365 73 73 ILE CD1 C 14.795 0.038 1 366 73 73 ILE N N 122.100 0.0 1 367 74 74 ASN C C 178.581 0.0 1 368 74 74 ASN CA C 55.975 0.037 1 369 74 74 ASN CB C 37.418 0.023 1 370 74 74 ASN N N 116.900 0.0 1 371 75 75 GLU C C 179.610 0.0 1 372 75 75 GLU CA C 59.217 0.043 1 373 75 75 GLU CB C 29.383 0.01 1 374 75 75 GLU CG C 35.994 0.023 1 375 75 75 GLU CD C 183.623 0.02 1 376 75 75 GLU N N 122.100 0.0 1 377 76 76 GLU C C 177.398 0.0 1 378 76 76 GLU CA C 58.923 0.063 1 379 76 76 GLU CB C 29.190 0.001 1 380 76 76 GLU CG C 37.374 0.06 1 381 76 76 GLU CD C 184.292 0.028 1 382 76 76 GLU N N 120.400 0.0 1 383 77 77 ALA CA C 54.762 0.043 1 384 77 77 ALA CB C 17.779 0.016 1 385 77 77 ALA N N 123.500 . 1 386 78 78 ALA C C 181.495 0.0 1 387 78 78 ALA CA C 54.550 0.043 1 388 78 78 ALA CB C 17.873 0.029 1 389 78 78 ALA N N 118.800 0.0 1 390 79 79 GLU C C 178.280 . 1 391 79 79 GLU CA C 58.507 0.058 1 392 79 79 GLU CB C 28.638 0.027 1 393 79 79 GLU CG C 34.906 0.021 1 394 79 79 GLU CD C 184.073 0.02 1 395 79 79 GLU N N 121.300 0.0 1 396 80 80 TRP C C 180.064 0.0 1 397 80 80 TRP CA C 61.734 0.066 1 398 80 80 TRP CB C 27.975 0.047 1 399 80 80 TRP CG C 110.355 0.055 1 400 80 80 TRP CD1 C 126.561 0.068 1 401 80 80 TRP CD2 C 129.236 0.041 1 402 80 80 TRP CE2 C 139.072 0.025 1 403 80 80 TRP CE3 C 120.054 0.073 1 404 80 80 TRP CZ2 C 112.680 0.056 1 405 80 80 TRP CZ3 C 121.800 0.0 1 406 80 80 TRP N N 121.100 0.0 1 407 81 81 ASP CA C 57.284 0.046 1 408 81 81 ASP CB C 40.118 0.059 1 409 81 81 ASP N N 119.800 0.0 1 410 82 82 ARG CA C 59.214 0.036 1 411 82 82 ARG CB C 30.773 0.022 1 412 82 82 ARG CG C 28.171 0.037 1 413 82 82 ARG CD C 43.192 0.059 1 414 82 82 ARG CZ C 159.399 0.013 1 415 82 82 ARG N N 120.300 0.0 1 416 83 83 LEU CA C 55.352 0.083 1 417 83 83 LEU CB C 42.497 0.052 1 418 83 83 LEU CD1 C 25.371 0.047 2 419 83 83 LEU CD2 C 25.382 0.03 2 420 83 83 LEU N N 117.200 0.0 1 421 84 84 HIS C C 170.802 0.058 1 422 84 84 HIS CA C 53.086 0.059 1 423 84 84 HIS CB C 26.717 0.055 1 424 84 84 HIS CG C 130.655 0.076 1 425 84 84 HIS CD2 C 118.984 0.126 1 426 84 84 HIS N N 117.000 . 1 427 85 85 PRO CA C 62.970 0.033 1 428 85 85 PRO CB C 32.139 0.013 1 429 85 85 PRO CG C 27.515 0.02 1 430 85 85 PRO CD C 50.186 0.084 1 431 85 85 PRO N N 137.000 . 1 432 86 86 VAL C C 176.551 0.0 1 433 86 86 VAL CA C 62.562 0.023 1 434 86 86 VAL CB C 32.874 0.059 1 435 86 86 VAL CG1 C 21.355 0.036 2 436 86 86 VAL CG2 C 21.353 0.034 2 437 86 86 VAL N N 120.800 0.0 1 438 87 87 HIS CA C 55.871 0.052 1 439 87 87 HIS CB C 28.608 . 1 440 87 87 HIS CG C 132.990 0.018 1 441 87 87 HIS CD2 C 120.298 0.006 1 442 87 87 HIS N N 124.600 0.0 1 443 88 88 ALA C C 177.939 0.0 1 444 88 88 ALA CA C 52.110 0.0 1 445 88 88 ALA CB C 19.202 0.0 1 446 88 88 ALA N N 128.100 . 1 447 89 89 GLY C C 171.546 0.0 1 448 89 89 GLY CA C 44.484 0.049 1 449 89 89 GLY N N 109.200 0.0 1 450 90 90 PRO C C 176.727 0.0 1 451 90 90 PRO CA C 63.228 0.056 1 452 90 90 PRO CB C 32.190 0.0 1 453 90 90 PRO CG C 27.163 0.021 1 454 90 90 PRO CD C 49.750 0.032 1 455 90 90 PRO N N 133.000 . 1 456 91 91 ILE C C 175.152 0.0 1 457 91 91 ILE CA C 60.141 0.031 1 458 91 91 ILE CB C 38.550 0.074 1 459 91 91 ILE CG1 C 28.414 0.094 1 460 91 91 ILE CG2 C 17.939 0.047 1 461 91 91 ILE CD1 C 15.318 0.018 1 462 91 91 ILE N N 121.800 . 1 463 92 92 ALA C C 175.519 0.0 1 464 92 92 ALA CA C 50.710 0.0 1 465 92 92 ALA CB C 17.828 0.019 1 466 92 92 ALA N N 131.300 . 1 467 93 93 PRO C C 177.099 0.0 1 468 93 93 PRO CA C 64.272 0.058 1 469 93 93 PRO CB C 31.740 0.024 1 470 93 93 PRO CG C 27.570 0.083 1 471 93 93 PRO CD C 50.414 0.018 1 472 93 93 PRO N N 133.526 . 1 473 94 94 GLY C C 174.436 0.0 1 474 94 94 GLY CA C 45.647 0.034 1 475 94 94 GLY N N 112.500 . 1 476 95 95 GLN C C 175.243 0.0 1 477 95 95 GLN CA C 54.457 0.055 1 478 95 95 GLN CB C 30.200 0.001 1 479 95 95 GLN CG C 33.847 0.015 1 480 95 95 GLN N N 119.200 0.0 1 481 96 96 MET C C 176.359 0.0 1 482 96 96 MET CA C 54.799 0.046 1 483 96 96 MET CB C 34.750 0.019 1 484 96 96 MET CG C 30.451 0.063 1 485 96 96 MET N N 120.900 . 1 486 97 97 ARG C C 174.730 0.0 1 487 97 97 ARG CA C 55.285 0.061 1 488 97 97 ARG CB C 29.990 0.0 1 489 97 97 ARG CG C 26.960 0.0 1 490 97 97 ARG CD C 43.769 0.067 1 491 97 97 ARG N N 121.700 0.0 1 492 98 98 GLU CA C 54.503 0.04 1 493 98 98 GLU CB C 29.500 0.0 1 494 98 98 GLU CG C 36.871 0.035 1 495 98 98 GLU CD C 183.432 0.0 1 496 98 98 GLU N N 122.600 . 1 497 99 99 PRO CA C 62.760 0.07 1 498 99 99 PRO CB C 30.375 0.034 1 499 99 99 PRO CG C 26.323 0.04 1 500 99 99 PRO CD C 49.133 0.086 1 501 100 100 ARG CA C 53.338 0.052 1 502 100 100 ARG CB C 30.898 0.035 1 503 100 100 ARG N N 121.600 0.0 1 504 101 101 GLY C C 176.147 0.0 1 505 101 101 GLY CA C 48.511 0.083 1 506 101 101 GLY N N 117.000 . 1 507 102 102 SER C C 176.962 0.0 1 508 102 102 SER CA C 60.857 0.046 1 509 102 102 SER CB C 62.046 0.061 1 510 102 102 SER N N 114.500 . 1 511 103 103 ASP C C 175.978 0.0 1 512 103 103 ASP CA C 56.827 0.073 1 513 103 103 ASP CB C 41.502 0.069 1 514 103 103 ASP CG C 179.627 0.038 1 515 103 103 ASP N N 123.100 0.0 1 516 104 104 ILE C C 172.645 . 1 517 104 104 ILE CA C 65.784 0.047 1 518 104 104 ILE CB C 36.756 0.059 1 519 104 104 ILE CG1 C 30.729 0.059 1 520 104 104 ILE CG2 C 17.106 0.067 1 521 104 104 ILE CD1 C 10.992 0.071 1 522 104 104 ILE N N 125.700 0.0 1 523 105 105 ALA C C 177.248 . 1 524 105 105 ALA CA C 50.503 0.045 1 525 105 105 ALA CB C 18.761 0.041 1 526 105 105 ALA N N 112.100 0.0 1 527 106 106 GLY C C 173.802 0.0 1 528 106 106 GLY CA C 45.268 0.072 1 529 106 106 GLY N N 102.300 0.0 1 530 107 107 THR C C 177.219 0.0 1 531 107 107 THR CA C 64.108 0.071 1 532 107 107 THR CB C 68.842 0.071 1 533 107 107 THR CG2 C 22.831 0.049 1 534 107 107 THR N N 113.500 . 1 535 108 108 THR C C 173.169 0.0 1 536 108 108 THR CA C 60.871 0.046 1 537 108 108 THR CB C 69.304 0.051 1 538 108 108 THR CG2 C 20.339 0.053 1 539 108 108 THR N N 106.100 0.0 1 540 109 109 SER C C 173.898 . 1 541 109 109 SER CA C 54.079 0.046 1 542 109 109 SER CB C 66.960 0.059 1 543 109 109 SER N N 111.800 0.0 1 544 110 110 THR C C 175.770 0.0 1 545 110 110 THR CA C 59.312 0.048 1 546 110 110 THR CB C 71.474 0.067 1 547 110 110 THR CG2 C 22.118 0.055 1 548 110 110 THR N N 112.229 0.065 1 549 111 111 LEU C C 178.103 0.019 1 550 111 111 LEU CA C 57.949 0.054 1 551 111 111 LEU CB C 40.826 0.051 1 552 111 111 LEU CG C 26.722 0.073 1 553 111 111 LEU CD1 C 23.522 1.34 2 554 111 111 LEU CD2 C 25.241 0.014 2 555 111 111 LEU N N 122.800 0.0 1 556 112 112 GLN C C 178.475 0.0 1 557 112 112 GLN CA C 59.757 0.035 1 558 112 112 GLN CB C 28.057 0.032 1 559 112 112 GLN CG C 34.870 0.0 1 560 112 112 GLN CD C 179.621 0.073 1 561 112 112 GLN N N 116.300 0.0 1 562 113 113 GLU C C 178.416 . 1 563 113 113 GLU CA C 58.893 0.057 1 564 113 113 GLU CB C 29.107 0.04 1 565 113 113 GLU CG C 37.366 0.068 1 566 113 113 GLU CD C 184.117 0.029 1 567 113 113 GLU N N 120.694 0.081 1 568 114 114 GLN C C 177.866 0.0 1 569 114 114 GLN CA C 60.421 0.038 1 570 114 114 GLN CB C 28.158 0.044 1 571 114 114 GLN CG C 32.839 0.035 1 572 114 114 GLN CD C 179.601 0.036 1 573 114 114 GLN N N 117.680 0.065 1 574 115 115 ILE C C 179.609 0.0 1 575 115 115 ILE CA C 65.611 0.053 1 576 115 115 ILE CB C 38.494 0.05 1 577 115 115 ILE CG1 C 29.183 0.023 1 578 115 115 ILE CG2 C 17.265 0.056 1 579 115 115 ILE CD1 C 14.239 0.01 1 580 115 115 ILE N N 117.608 0.058 1 581 116 116 GLY C C 176.093 0.0 1 582 116 116 GLY CA C 47.283 0.068 1 583 116 116 GLY N N 111.600 . 1 584 117 117 TRP C C 178.805 0.0 1 585 117 117 TRP CA C 61.180 0.044 1 586 117 117 TRP CB C 27.328 0.061 1 587 117 117 TRP CD1 C 125.484 0.061 1 588 117 117 TRP CD2 C 129.983 0.02 1 589 117 117 TRP CE2 C 139.070 0.042 1 590 117 117 TRP CE3 C 121.665 0.07 1 591 117 117 TRP CZ2 C 112.678 0.05 1 592 117 117 TRP N N 121.494 0.02 1 593 118 118 MET C C 177.528 0.0 1 594 118 118 MET CA C 59.590 0.064 1 595 118 118 MET CB C 35.080 0.051 1 596 118 118 MET CG C 33.036 0.081 1 597 118 118 MET CE C 14.935 0.053 1 598 118 118 MET N N 115.986 0.043 1 599 119 119 THR C C 173.503 0.0 1 600 119 119 THR CA C 60.932 0.056 1 601 119 119 THR CB C 70.066 0.08 1 602 119 119 THR CG2 C 21.565 0.038 1 603 119 119 THR N N 104.200 0.0 1 604 120 120 HIS C C 172.156 0.036 1 605 120 120 HIS CA C 57.042 0.054 1 606 120 120 HIS CB C 28.660 0.0 1 607 120 120 HIS CE1 C 136.563 0.007 1 608 120 120 HIS N N 123.500 . 1 609 121 121 ASN CA C 49.277 0.061 1 610 121 121 ASN CB C 39.640 0.091 1 611 121 121 ASN CG C 177.575 0.03 1 612 121 121 ASN N N 118.900 0.0 1 613 122 122 PRO CA C 62.530 0.028 1 614 122 122 PRO CG C 24.833 0.049 1 615 122 122 PRO N N 134.154 . 1 616 123 123 PRO C C 177.834 0.0 1 617 123 123 PRO CA C 63.275 0.045 1 618 123 123 PRO CB C 32.230 0.001 1 619 123 123 PRO CG C 27.591 0.05 1 620 123 123 PRO CD C 50.050 0.0 1 621 123 123 PRO N N 133.168 . 1 622 124 124 ILE C C 176.102 0.0 1 623 124 124 ILE CA C 59.281 0.055 1 624 124 124 ILE CB C 38.553 0.078 1 625 124 124 ILE CG1 C 27.583 0.045 1 626 124 124 ILE CG2 C 17.214 0.048 1 627 124 124 ILE CD1 C 14.616 0.018 1 628 124 124 ILE N N 122.600 0.0 1 629 125 125 PRO C C 176.740 0.0 1 630 125 125 PRO CA C 63.046 0.052 1 631 125 125 PRO CB C 29.274 0.039 1 632 125 125 PRO CG C 27.439 0.051 1 633 125 125 PRO CD C 51.334 0.055 1 634 126 126 VAL C C 176.880 0.0 1 635 126 126 VAL CA C 65.740 0.04 1 636 126 126 VAL CB C 30.787 0.092 1 637 126 126 VAL CG1 C 23.672 0.053 2 638 126 126 VAL CG2 C 19.444 0.031 2 639 126 126 VAL N N 114.800 0.0 1 640 127 127 GLY C C 174.819 0.0 1 641 127 127 GLY CA C 47.236 0.052 1 642 127 127 GLY N N 107.000 . 1 643 128 128 GLU C C 179.994 . 1 644 128 128 GLU CA C 58.516 0.051 1 645 128 128 GLU CB C 29.466 0.032 1 646 128 128 GLU CG C 36.128 0.013 1 647 128 128 GLU N N 121.800 0.0 1 648 129 129 ILE C C 176.183 0.0 1 649 129 129 ILE CA C 65.283 0.05 1 650 129 129 ILE CB C 38.239 0.061 1 651 129 129 ILE CG1 C 28.488 0.015 1 652 129 129 ILE CG2 C 18.408 0.068 1 653 129 129 ILE CD1 C 15.070 0.035 1 654 129 129 ILE N N 120.800 0.0 1 655 130 130 TYR C C 177.872 0.04 1 656 130 130 TYR CA C 56.105 0.068 1 657 130 130 TYR CB C 36.523 0.085 1 658 130 130 TYR CG C 128.220 0.158 1 659 130 130 TYR CD1 C 131.725 0.104 1 660 130 130 TYR CD2 C 131.725 0.104 1 661 130 130 TYR CE1 C 116.568 0.136 1 662 130 130 TYR CE2 C 116.568 0.136 1 663 130 130 TYR CZ C 158.220 0.075 1 664 130 130 TYR N N 117.200 0.0 1 665 131 131 LYS C C 177.716 . 1 666 131 131 LYS CA C 60.626 0.045 1 667 131 131 LYS CB C 32.289 0.037 1 668 131 131 LYS CG C 25.689 0.058 1 669 131 131 LYS CD C 29.687 0.068 1 670 131 131 LYS CE C 41.290 0.055 1 671 131 131 LYS N N 116.300 0.0 1 672 132 132 ARG C C 178.263 0.0 1 673 132 132 ARG CA C 60.118 0.046 1 674 132 132 ARG CB C 29.890 0.001 1 675 132 132 ARG CG C 28.392 0.032 1 676 132 132 ARG CD C 44.194 0.018 1 677 132 132 ARG CZ C 159.678 0.0 1 678 132 132 ARG N N 117.700 0.0 1 679 133 133 TRP C C 178.798 0.0 1 680 133 133 TRP CA C 58.329 0.059 1 681 133 133 TRP CB C 29.450 0.028 1 682 133 133 TRP CG C 110.597 0.052 1 683 133 133 TRP CD1 C 124.841 0.068 1 684 133 133 TRP CD2 C 130.040 0.037 1 685 133 133 TRP CE2 C 138.787 0.043 1 686 133 133 TRP CE3 C 119.474 0.075 1 687 133 133 TRP N N 121.700 0.0 1 688 134 134 ILE C C 178.274 0.0 1 689 134 134 ILE CA C 65.156 0.055 1 690 134 134 ILE CB C 38.164 0.053 1 691 134 134 ILE CG1 C 29.851 0.008 1 692 134 134 ILE CG2 C 17.867 0.044 1 693 134 134 ILE CD1 C 14.807 0.038 1 694 134 134 ILE N N 119.200 0.0 1 695 135 135 ILE C C 178.061 0.0 1 696 135 135 ILE CA C 66.514 0.033 1 697 135 135 ILE CB C 37.896 0.057 1 698 135 135 ILE CG1 C 31.416 0.058 1 699 135 135 ILE CG2 C 17.516 0.068 1 700 135 135 ILE CD1 C 13.643 0.049 1 701 135 135 ILE N N 120.800 0.0 1 702 136 136 LEU C C 181.017 0.056 1 703 136 136 LEU CA C 58.879 0.044 1 704 136 136 LEU CB C 41.608 0.054 1 705 136 136 LEU CG C 27.083 0.078 1 706 136 136 LEU N N 121.600 . 1 707 137 137 GLY C C 176.063 . 1 708 137 137 GLY CA C 47.614 0.065 1 709 137 137 GLY N N 106.900 0.0 1 710 138 138 LEU C C 178.598 0.015 1 711 138 138 LEU CA C 58.191 0.051 1 712 138 138 LEU CB C 42.209 0.057 1 713 138 138 LEU CG C 26.238 0.062 1 714 138 138 LEU CD1 C 24.988 0.038 2 715 138 138 LEU CD2 C 22.838 0.052 2 716 138 138 LEU N N 123.200 0.0 1 717 139 139 ASN C C 178.047 . 1 718 139 139 ASN CA C 57.005 0.019 1 719 139 139 ASN CB C 38.907 0.031 1 720 139 139 ASN N N 119.000 . 1 721 140 140 LYS C C 178.634 0.0 1 722 140 140 LYS CA C 60.136 0.039 1 723 140 140 LYS CB C 32.090 0.001 1 724 140 140 LYS CG C 25.261 0.025 1 725 140 140 LYS CD C 29.806 0.017 1 726 140 140 LYS CE C 42.132 0.037 1 727 140 140 LYS N N 118.300 0.0 1 728 141 141 ILE C C 178.320 . 1 729 141 141 ILE CA C 65.124 0.054 1 730 141 141 ILE CB C 37.998 0.048 1 731 141 141 ILE CG1 C 29.893 0.001 1 732 141 141 ILE CG2 C 17.975 0.03 1 733 141 141 ILE CD1 C 14.932 0.054 1 734 141 141 ILE N N 119.100 . 1 735 142 142 VAL C C 177.398 0.0 1 736 142 142 VAL CA C 65.679 0.059 1 737 142 142 VAL CB C 32.258 0.07 1 738 142 142 VAL CG1 C 21.826 0.066 2 739 142 142 VAL CG2 C 21.832 0.05 2 740 142 142 VAL N N 119.200 0.0 1 741 143 143 ARG C C 178.357 . 1 742 143 143 ARG CA C 58.177 0.045 1 743 143 143 ARG CB C 30.247 0.021 1 744 143 143 ARG CG C 26.710 0.001 1 745 143 143 ARG CD C 42.076 0.05 1 746 143 143 ARG CZ C 159.201 0.003 1 747 143 143 ARG N N 117.900 0.0 1 748 144 144 MET C C 177.611 . 1 749 144 144 MET CA C 57.863 0.033 1 750 144 144 MET CB C 32.802 0.028 1 751 144 144 MET CG C 30.167 0.04 1 752 144 144 MET CE C 15.994 0.03 1 753 144 144 MET N N 119.100 0.0 1 754 145 145 TYR C C 177.865 0.0 1 755 145 145 TYR CA C 59.558 0.056 1 756 145 145 TYR CB C 38.058 0.067 1 757 145 145 TYR CD1 C 131.942 0.035 1 758 145 145 TYR CD2 C 131.942 0.035 1 759 145 145 TYR N N 117.500 . 1 760 146 146 SER C C 178.090 . 1 761 146 146 SER CA C 56.882 0.05 1 762 146 146 SER CB C 64.163 0.03 1 763 146 146 SER N N 118.600 0.0 1 764 147 147 PRO CA C 63.390 0.055 1 765 147 147 PRO CB C 32.625 0.028 1 766 147 147 PRO CG C 28.628 0.021 1 767 147 147 PRO CD C 51.746 0.049 1 768 148 148 THR C C 172.677 0.0 1 769 148 148 THR CA C 61.697 0.029 1 770 148 148 THR CB C 70.700 0.035 1 771 148 148 THR CG2 C 21.106 0.003 1 772 148 148 THR N N 111.500 . 1 773 149 149 SER C C 174.308 . 1 774 149 149 SER CA C 56.531 0.046 1 775 149 149 SER CB C 63.624 0.064 1 776 149 149 SER N N 122.500 . 1 777 150 150 ILE C C 175.257 0.0 1 778 150 150 ILE CA C 60.571 0.038 1 779 150 150 ILE CB C 39.598 0.038 1 780 150 150 ILE CG1 C 28.613 0.016 1 781 150 150 ILE CG2 C 18.315 0.031 1 782 150 150 ILE CD1 C 15.426 0.019 1 783 150 150 ILE N N 128.600 0.0 1 784 151 151 LEU C C 178.296 0.017 1 785 151 151 LEU CA C 56.784 0.069 1 786 151 151 LEU CB C 41.444 0.045 1 787 151 151 LEU CG C 28.114 0.096 1 788 151 151 LEU CD1 C 23.532 0.03 2 789 151 151 LEU CD2 C 25.948 0.04 2 790 151 151 LEU N N 118.900 0.0 1 791 152 152 ASP C C 175.826 . 1 792 152 152 ASP CA C 54.154 0.036 1 793 152 152 ASP CB C 42.008 0.022 1 794 152 152 ASP N N 115.100 0.0 1 795 153 153 ILE C C 173.579 0.0 1 796 153 153 ILE CA C 59.016 0.052 1 797 153 153 ILE CB C 33.887 0.067 1 798 153 153 ILE CG1 C 26.882 0.014 1 799 153 153 ILE CG2 C 17.134 0.049 1 800 153 153 ILE CD1 C 9.795 0.023 1 801 153 153 ILE N N 122.200 0.0 1 802 154 154 ARG C C 175.410 0.0 1 803 154 154 ARG CA C 54.244 0.06 1 804 154 154 ARG CB C 33.136 0.005 1 805 154 154 ARG CG C 27.278 0.017 1 806 154 154 ARG CD C 43.239 0.02 1 807 154 154 ARG N N 125.700 . 1 808 155 155 GLN C C 177.005 0.0 1 809 155 155 GLN CA C 55.895 0.061 1 810 155 155 GLN CB C 27.290 0.035 1 811 155 155 GLN CG C 32.536 0.051 1 812 155 155 GLN N N 127.900 0.0 1 813 156 156 GLY C C 173.501 . 1 814 156 156 GLY CA C 44.913 0.024 1 815 156 156 GLY N N 116.800 . 1 816 157 157 PRO C C 177.285 0.0 1 817 157 157 PRO CA C 65.647 0.045 1 818 157 157 PRO CB C 32.130 0.0 1 819 157 157 PRO CG C 27.631 0.034 1 820 157 157 PRO CD C 50.352 0.045 1 821 158 158 LYS C C 175.677 0.0 1 822 158 158 LYS CA C 54.105 0.024 1 823 158 158 LYS CB C 32.534 0.018 1 824 158 158 LYS CG C 25.095 0.053 1 825 158 158 LYS CE C 42.095 0.009 1 826 158 158 LYS N N 114.900 0.0 1 827 159 159 GLU C C 174.571 0.0 1 828 159 159 GLU CA C 53.537 0.039 1 829 159 159 GLU CB C 32.476 0.056 1 830 159 159 GLU CG C 35.050 0.058 1 831 159 159 GLU N N 125.900 0.0 1 832 160 160 PRO C C 177.445 0.0 1 833 160 160 PRO CA C 63.433 0.062 1 834 160 160 PRO CB C 32.651 0.045 1 835 160 160 PRO CD C 51.822 0.005 1 836 161 161 PHE C C 177.131 0.0 1 837 161 161 PHE CA C 62.751 0.067 1 838 161 161 PHE CB C 39.372 0.058 1 839 161 161 PHE CG C 138.739 0.052 1 840 161 161 PHE CD1 C 132.405 0.08 1 841 161 161 PHE CD2 C 132.405 0.08 1 842 161 161 PHE N N 128.400 . 1 843 162 162 ARG C C 179.327 0.0 1 844 162 162 ARG CA C 59.692 0.037 1 845 162 162 ARG CB C 30.272 0.046 1 846 162 162 ARG CG C 27.768 0.024 1 847 162 162 ARG N N 115.500 . 1 848 163 163 ASP C C 178.870 0.0 1 849 163 163 ASP CA C 57.369 0.047 1 850 163 163 ASP CB C 39.883 0.035 1 851 163 163 ASP N N 120.100 0.0 1 852 164 164 TYR C C 175.705 0.056 1 853 164 164 TYR CA C 59.595 0.117 1 854 164 164 TYR CB C 38.181 0.07 1 855 164 164 TYR CG C 126.792 0.183 1 856 164 164 TYR CD1 C 134.313 0.084 1 857 164 164 TYR CD2 C 134.313 0.084 1 858 164 164 TYR CE1 C 115.599 0.06 1 859 164 164 TYR CE2 C 115.599 0.06 1 860 164 164 TYR CZ C 159.424 0.046 1 861 164 164 TYR N N 123.700 0.0 1 862 165 165 VAL CA C 66.562 0.031 1 863 165 165 VAL CB C 31.503 0.059 1 864 165 165 VAL CG1 C 25.272 0.0 1 865 165 165 VAL CG2 C 25.272 . 1 866 165 165 VAL N N 117.800 0.0 1 867 166 166 ASP CA C 58.281 0.032 1 868 166 166 ASP CB C 40.437 0.029 1 869 166 166 ASP N N 118.200 0.0 1 870 168 168 PHE C C 177.117 . 1 871 168 168 PHE CA C 62.639 0.041 1 872 168 168 PHE CB C 39.296 0.094 1 873 168 168 PHE CD1 C 133.279 . 1 874 168 168 PHE CD2 C 133.279 . 1 875 168 168 PHE N N 123.800 0.0 1 876 169 169 TYR C C 178.812 0.007 1 877 169 169 TYR CA C 63.581 0.077 1 878 169 169 TYR CB C 38.078 0.082 1 879 169 169 TYR CG C 132.295 1.696 1 880 169 169 TYR CD1 C 133.247 0.121 1 881 169 169 TYR CD2 C 133.247 0.121 1 882 169 169 TYR CE1 C 118.204 0.1 1 883 169 169 TYR CE2 C 118.204 0.1 1 884 169 169 TYR CZ C 159.537 0.056 1 885 169 169 TYR N N 115.700 . 1 886 171 171 THR C C 176.220 0.0 1 887 171 171 THR CA C 66.421 0.057 1 888 171 171 THR CB C 68.858 0.018 1 889 171 171 THR CG2 C 21.446 0.07 1 890 171 171 THR N N 115.700 0.0 1 891 172 172 LEU C C 178.903 0.04 1 892 172 172 LEU CA C 58.161 0.02 1 893 172 172 LEU CB C 42.306 0.036 1 894 172 172 LEU CG C 26.466 0.081 1 895 172 172 LEU N N 123.800 0.0 1 896 173 173 ARG C C 179.557 0.0 1 897 173 173 ARG CA C 59.303 0.064 1 898 173 173 ARG CB C 30.250 0.0 1 899 173 173 ARG N N 116.200 . 1 900 174 174 ALA C C 178.404 . 1 901 174 174 ALA CA C 53.427 0.053 1 902 174 174 ALA CB C 18.552 0.038 1 903 174 174 ALA N N 119.600 0.0 1 904 175 175 GLU C C 179.077 0.0 1 905 175 175 GLU CA C 57.275 0.037 1 906 175 175 GLU CB C 30.003 0.014 1 907 175 175 GLU N N 120.100 0.0 1 908 176 176 GLN C C 179.107 0.0 1 909 176 176 GLN CA C 54.451 0.014 1 910 176 176 GLN CB C 27.410 0.001 1 911 176 176 GLN N N 124.800 . 1 912 177 177 ALA C C 176.829 0.0 1 913 177 177 ALA CA C 51.343 0.013 1 914 177 177 ALA CB C 20.671 0.044 1 915 177 177 ALA N N 125.000 . 1 916 178 178 SER C C 177.745 0.0 1 917 178 178 SER CA C 57.354 0.058 1 918 178 178 SER CB C 65.159 0.054 1 919 178 178 SER N N 116.300 0.0 1 920 179 179 GLN C C 177.788 . 1 921 179 179 GLN CA C 58.547 0.046 1 922 179 179 GLN CB C 28.715 0.036 1 923 179 179 GLN N N 121.600 0.0 1 924 180 180 GLU C C 179.918 0.0 1 925 180 180 GLU CA C 59.999 0.046 1 926 180 180 GLU CB C 29.618 0.024 1 927 180 180 GLU N N 118.200 . 1 928 181 181 VAL C C 178.004 0.0 1 929 181 181 VAL CA C 66.596 0.048 1 930 181 181 VAL CB C 31.007 0.072 1 931 181 181 VAL CG1 C 23.976 0.034 2 932 181 181 VAL CG2 C 20.550 0.052 2 933 181 181 VAL N N 120.900 . 1 934 182 182 LYS C C 178.971 0.0 1 935 182 182 LYS CA C 60.908 0.053 1 936 182 182 LYS CB C 32.514 0.03 1 937 182 182 LYS CD C 29.900 0.002 1 938 182 182 LYS N N 120.300 0.0 1 939 183 183 ASN C C 175.776 . 1 940 183 183 ASN CA C 56.866 0.06 1 941 183 183 ASN CB C 37.724 0.047 1 942 183 183 ASN N N 117.700 0.0 1 943 184 184 TRP C C 180.495 0.0 1 944 184 184 TRP CA C 61.959 0.045 1 945 184 184 TRP CB C 28.397 0.04 1 946 184 184 TRP CG C 110.358 0.05 1 947 184 184 TRP N N 122.800 0.0 1 948 185 185 MET C C 178.774 0.0 1 949 185 185 MET CA C 59.429 0.043 1 950 185 185 MET CB C 31.232 0.038 1 951 185 185 MET N N 120.200 . 1 952 186 186 THR C C 176.345 0.0 1 953 186 186 THR CA C 66.721 0.054 1 954 186 186 THR CB C 69.273 0.049 1 955 186 186 THR CG2 C 21.696 0.045 1 956 186 186 THR N N 112.000 . 1 957 187 187 GLU CA C 60.195 0.006 1 958 187 187 GLU CB C 29.507 0.039 1 959 187 187 GLU N N 118.900 0.0 1 960 188 188 THR C C 174.314 . 1 961 188 188 THR CA C 64.654 0.05 1 962 188 188 THR CB C 69.417 0.042 1 963 188 188 THR CG2 C 21.786 0.042 1 964 188 188 THR N N 111.500 . 1 965 189 189 LEU C C 178.598 0.017 1 966 189 189 LEU CA C 58.412 0.04 1 967 189 189 LEU CB C 42.393 0.033 1 968 189 189 LEU N N 120.900 . 1 969 190 190 LEU C C 177.797 0.021 1 970 190 190 LEU CA C 57.937 0.044 1 971 190 190 LEU CB C 41.531 0.077 1 972 190 190 LEU N N 118.400 0.0 1 973 191 191 VAL C C 177.124 0.0 1 974 191 191 VAL CA C 65.575 0.035 1 975 191 191 VAL CB C 32.149 0.067 1 976 191 191 VAL CG1 C 21.742 0.033 2 977 191 191 VAL CG2 C 21.742 0.033 2 978 191 191 VAL N N 115.300 0.0 1 979 192 192 GLN C C 177.165 0.0 1 980 192 192 GLN CA C 58.502 0.047 1 981 192 192 GLN CB C 28.502 0.034 1 982 192 192 GLN N N 115.400 0.0 1 983 193 193 ASN C C 175.462 0.0 1 984 193 193 ASN CA C 52.700 0.075 1 985 193 193 ASN CB C 38.183 0.053 1 986 193 193 ASN N N 114.100 0.0 1 987 194 194 ALA C C 175.504 . 1 988 194 194 ALA CA C 52.910 0.046 1 989 194 194 ALA CB C 18.704 0.07 1 990 194 194 ALA N N 125.100 0.0 1 991 195 195 ASN C C 174.296 0.0 1 992 195 195 ASN CA C 51.607 0.066 1 993 195 195 ASN CB C 35.567 0.081 1 994 195 195 ASN N N 119.400 0.0 1 995 196 196 PRO C C 178.551 0.0 1 996 196 196 PRO CA C 66.781 0.066 1 997 196 196 PRO CB C 32.588 0.036 1 998 196 196 PRO CG C 28.455 0.038 1 999 196 196 PRO CD C 50.164 0.059 1 1000 196 196 PRO N N 132.450 . 1 1001 197 197 ASP C C 178.625 . 1 1002 197 197 ASP CA C 57.280 0.062 1 1003 197 197 ASP CB C 40.328 0.06 1 1004 197 197 ASP N N 115.700 . 1 1005 198 198 CYS C C 176.029 . 1 1006 198 198 CYS CA C 62.329 0.076 1 1007 198 198 CYS CB C 27.852 0.05 1 1008 198 198 CYS N N 121.300 0.0 1 1009 199 199 LYS C C 177.669 0.0 1 1010 199 199 LYS CA C 60.992 0.045 1 1011 199 199 LYS CB C 32.483 0.059 1 1012 199 199 LYS CD C 29.860 0.001 1 1013 199 199 LYS N N 121.700 0.0 1 1014 200 200 THR C C 176.193 0.0 1 1015 200 200 THR CA C 66.548 0.059 1 1016 200 200 THR CB C 68.922 0.047 1 1017 200 200 THR CG2 C 21.725 0.034 1 1018 200 200 THR N N 112.200 0.0 1 1019 201 201 ILE C C 178.965 0.0 1 1020 201 201 ILE CA C 64.651 0.044 1 1021 201 201 ILE CB C 38.211 0.054 1 1022 201 201 ILE CG1 C 29.605 0.018 1 1023 201 201 ILE CG2 C 18.693 0.051 1 1024 201 201 ILE CD1 C 14.463 0.04 1 1025 201 201 ILE N N 122.900 0.0 1 1026 202 202 LEU C C 178.495 0.042 1 1027 202 202 LEU CA C 57.282 0.083 1 1028 202 202 LEU CB C 41.718 0.052 1 1029 202 202 LEU CG C 27.715 0.09 1 1030 202 202 LEU CD1 C 25.821 0.066 2 1031 202 202 LEU CD2 C 23.172 0.039 2 1032 202 202 LEU N N 119.100 0.0 1 1033 203 203 LYS C C 178.473 . 1 1034 203 203 LYS CA C 59.472 0.034 1 1035 203 203 LYS CB C 30.800 0.0 1 1036 203 203 LYS N N 119.500 . 1 1037 204 204 ALA C C 179.085 . 1 1038 204 204 ALA CA C 53.500 0.0 1 1039 204 204 ALA CB C 18.549 0.048 1 1040 204 204 ALA N N 120.100 0.0 1 1041 205 205 LEU CA C 57.317 0.045 1 1042 205 205 LEU CB C 41.440 0.0 1 1043 205 205 LEU CG C 25.941 0.101 1 1044 205 205 LEU N N 118.000 . 1 1045 206 206 GLY C C 172.762 0.0 1 1046 206 206 GLY CA C 44.558 0.08 1 1047 206 206 GLY N N 104.300 0.0 1 1048 207 207 PRO CA C 64.027 0.053 1 1049 207 207 PRO CB C 31.660 0.037 1 1050 207 207 PRO CG C 27.550 0.0 1 1051 207 207 PRO CD C 50.393 0.052 1 1052 207 207 PRO N N 130.800 . 1 1053 208 208 GLY CA C 45.283 0.078 1 1054 208 208 GLY N N 110.000 . 1 1055 209 209 ALA C C 178.227 0.0 1 1056 209 209 ALA CA C 52.365 0.043 1 1057 209 209 ALA CB C 19.828 0.082 1 1058 209 209 ALA N N 122.800 0.0 1 1059 210 210 THR C C 175.217 0.0 1 1060 210 210 THR CA C 60.209 0.033 1 1061 210 210 THR CB C 70.432 0.051 1 1062 210 210 THR CG2 C 22.319 0.058 1 1063 210 210 THR N N 113.900 . 1 1064 211 211 LEU C C 178.599 0.013 1 1065 211 211 LEU CA C 58.449 0.041 1 1066 211 211 LEU CB C 40.438 0.042 1 1067 211 211 LEU CG C 27.238 0.042 1 1068 211 211 LEU N N 125.000 . 1 1069 212 212 GLU C C 178.802 0.0 1 1070 212 212 GLU CA C 60.171 0.034 1 1071 212 212 GLU CB C 29.930 0.0 1 1072 212 212 GLU CG C 36.629 0.023 1 1073 212 212 GLU CD C 183.000 0.0 1 1074 212 212 GLU N N 117.200 0.0 1 1075 213 213 GLU CA C 59.021 0.034 1 1076 213 213 GLU CB C 29.259 0.036 1 1077 213 213 GLU CG C 37.227 0.053 1 1078 213 213 GLU N N 120.200 . 1 1079 214 214 MET CA C 60.070 0.057 1 1080 214 214 MET CB C 33.551 0.073 1 1081 214 214 MET N N 120.200 . 1 1082 215 215 MET C C 178.337 . 1 1083 215 215 MET CA C 59.015 0.04 1 1084 215 215 MET CB C 32.487 0.043 1 1085 215 215 MET N N 117.500 . 1 1086 216 216 THR C C 176.455 0.0 1 1087 216 216 THR CA C 66.488 0.034 1 1088 216 216 THR CB C 68.803 0.053 1 1089 216 216 THR CG2 C 21.644 0.035 1 1090 216 216 THR N N 115.500 . 1 1091 217 217 ALA C C 178.273 . 1 1092 217 217 ALA CA C 56.053 0.066 1 1093 217 217 ALA CB C 18.697 0.043 1 1094 217 217 ALA N N 123.800 0.0 1 1095 218 218 CYS C C 179.035 0.0 1 1096 218 218 CYS CA C 60.174 0.073 1 1097 218 218 CYS CB C 28.526 0.042 1 1098 218 218 CYS N N 110.900 . 1 1099 220 220 GLY C C 176.033 . 1 1100 220 220 GLY CA C 47.097 0.033 1 1101 220 220 GLY N N 110.200 . 1 1102 221 221 VAL C C 176.546 0.0 1 1103 221 221 VAL CA C 64.345 0.022 1 1104 221 221 VAL CB C 32.517 0.055 1 1105 221 221 VAL CG1 C 21.964 0.59 2 1106 221 221 VAL CG2 C 21.080 0.0 2 1107 221 221 VAL N N 121.100 . 1 1108 222 222 GLY C C 173.421 0.0 1 1109 222 222 GLY CA C 44.517 0.11 1 1110 223 223 GLY C C 174.256 0.0 1 1111 223 223 GLY CA C 45.051 0.0 1 1112 224 224 PRO N N 131.643 . 1 1113 226 226 HIS C C 174.538 . 1 1114 226 226 HIS CA C 57.104 0.142 1 1115 226 226 HIS CB C 30.885 0.018 1 1116 226 226 HIS CG C 134.450 . 1 1117 226 226 HIS CD2 C 116.710 0.029 1 1118 230 230 VAL C C 177.255 0.0 1 1119 230 230 VAL CA C 65.748 0.0 1 1120 230 230 VAL CB C 30.444 0.189 1 1121 230 230 VAL CG1 C 21.650 0.0 1 1122 230 230 VAL CG2 C 21.650 0.0 1 1123 231 231 LEU C C 178.709 0.0 1 1124 231 231 LEU CA C 56.412 0.033 1 1125 231 231 LEU CB C 42.547 0.033 1 1126 231 231 LEU CG C 26.444 . 1 stop_ save_