data_52587 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52587 _Entry.Title ; Cc ProXp-ala ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-08-19 _Entry.Accession_date 2024-08-19 _Entry.Last_release_date 2024-08-22 _Entry.Original_release_date 2024-08-22 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'NMR-based solution structure of the Caulobacter crescentus ProXp-ala trans-editing enzyme' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Antonia Duran . D. . 0000-0003-0462-5166 52587 2 Eric Danhart . M. . 0009-0006-1852-7451 52587 3 Mark Foster . P. . 0000-0001-9645-7491 52587 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'The Ohio State University' . 52587 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52587 spectral_peak_list 2 52587 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 665 52587 '15N chemical shifts' 163 52587 '1H chemical shifts' 1076 52587 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2024-09-19 . original BMRB . 52587 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27185 'Same protein with only backbone assignments.' 52587 PDB 9BU5 . 52587 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52587 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; NMR-based solution structure of the Caulobacter crescentus ProXp-ala trans-editing enzyme ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Antonia Duran . D. . . 52587 1 2 Eric Danhart . M. . . 52587 1 3 Xiao Ma . . . . 52587 1 4 Alexandra Kuzmishin . N.a.g.y. . . 52587 1 5 Karin Musier-Forsyth . . . . 52587 1 6 Mark Foster . P. . . 52587 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52587 _Assembly.ID 1 _Assembly.Name ProXp-ala _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 ProXp-ala 1 $entity_1 . . yes native no no . . . 52587 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52587 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMKTRADLFAFFDAHGVD HKTLDHPPVFRVEEGLEIKA AMPGGHTKNLFLKDAKGQLW LISALGETTIDLKKLHHVIG SGRLSFGPQEMMLETLGVTP GSVTAFGLINDTEKRVRFVL DKALADSDPVNFHPLKNDAT TAVSQAGLRRFLAALGVEPM IVDFAAMEVVG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 171 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -2 GLY . 52587 1 2 -1 SER . 52587 1 3 0 HIS . 52587 1 4 1 MET . 52587 1 5 2 LYS . 52587 1 6 3 THR . 52587 1 7 4 ARG . 52587 1 8 5 ALA . 52587 1 9 6 ASP . 52587 1 10 7 LEU . 52587 1 11 8 PHE . 52587 1 12 9 ALA . 52587 1 13 10 PHE . 52587 1 14 11 PHE . 52587 1 15 12 ASP . 52587 1 16 13 ALA . 52587 1 17 14 HIS . 52587 1 18 15 GLY . 52587 1 19 16 VAL . 52587 1 20 17 ASP . 52587 1 21 18 HIS . 52587 1 22 19 LYS . 52587 1 23 20 THR . 52587 1 24 21 LEU . 52587 1 25 22 ASP . 52587 1 26 23 HIS . 52587 1 27 24 PRO . 52587 1 28 25 PRO . 52587 1 29 26 VAL . 52587 1 30 27 PHE . 52587 1 31 28 ARG . 52587 1 32 29 VAL . 52587 1 33 30 GLU . 52587 1 34 31 GLU . 52587 1 35 32 GLY . 52587 1 36 33 LEU . 52587 1 37 34 GLU . 52587 1 38 35 ILE . 52587 1 39 36 LYS . 52587 1 40 37 ALA . 52587 1 41 38 ALA . 52587 1 42 39 MET . 52587 1 43 40 PRO . 52587 1 44 41 GLY . 52587 1 45 42 GLY . 52587 1 46 43 HIS . 52587 1 47 44 THR . 52587 1 48 45 LYS . 52587 1 49 46 ASN . 52587 1 50 47 LEU . 52587 1 51 48 PHE . 52587 1 52 49 LEU . 52587 1 53 50 LYS . 52587 1 54 51 ASP . 52587 1 55 52 ALA . 52587 1 56 53 LYS . 52587 1 57 54 GLY . 52587 1 58 55 GLN . 52587 1 59 56 LEU . 52587 1 60 57 TRP . 52587 1 61 58 LEU . 52587 1 62 59 ILE . 52587 1 63 60 SER . 52587 1 64 61 ALA . 52587 1 65 62 LEU . 52587 1 66 63 GLY . 52587 1 67 64 GLU . 52587 1 68 65 THR . 52587 1 69 66 THR . 52587 1 70 67 ILE . 52587 1 71 68 ASP . 52587 1 72 69 LEU . 52587 1 73 70 LYS . 52587 1 74 71 LYS . 52587 1 75 72 LEU . 52587 1 76 73 HIS . 52587 1 77 74 HIS . 52587 1 78 75 VAL . 52587 1 79 76 ILE . 52587 1 80 77 GLY . 52587 1 81 78 SER . 52587 1 82 79 GLY . 52587 1 83 80 ARG . 52587 1 84 81 LEU . 52587 1 85 82 SER . 52587 1 86 83 PHE . 52587 1 87 84 GLY . 52587 1 88 85 PRO . 52587 1 89 86 GLN . 52587 1 90 87 GLU . 52587 1 91 88 MET . 52587 1 92 89 MET . 52587 1 93 90 LEU . 52587 1 94 91 GLU . 52587 1 95 92 THR . 52587 1 96 93 LEU . 52587 1 97 94 GLY . 52587 1 98 95 VAL . 52587 1 99 96 THR . 52587 1 100 97 PRO . 52587 1 101 98 GLY . 52587 1 102 99 SER . 52587 1 103 100 VAL . 52587 1 104 101 THR . 52587 1 105 102 ALA . 52587 1 106 103 PHE . 52587 1 107 104 GLY . 52587 1 108 105 LEU . 52587 1 109 106 ILE . 52587 1 110 107 ASN . 52587 1 111 108 ASP . 52587 1 112 109 THR . 52587 1 113 110 GLU . 52587 1 114 111 LYS . 52587 1 115 112 ARG . 52587 1 116 113 VAL . 52587 1 117 114 ARG . 52587 1 118 115 PHE . 52587 1 119 116 VAL . 52587 1 120 117 LEU . 52587 1 121 118 ASP . 52587 1 122 119 LYS . 52587 1 123 120 ALA . 52587 1 124 121 LEU . 52587 1 125 122 ALA . 52587 1 126 123 ASP . 52587 1 127 124 SER . 52587 1 128 125 ASP . 52587 1 129 126 PRO . 52587 1 130 127 VAL . 52587 1 131 128 ASN . 52587 1 132 129 PHE . 52587 1 133 130 HIS . 52587 1 134 131 PRO . 52587 1 135 132 LEU . 52587 1 136 133 LYS . 52587 1 137 134 ASN . 52587 1 138 135 ASP . 52587 1 139 136 ALA . 52587 1 140 137 THR . 52587 1 141 138 THR . 52587 1 142 139 ALA . 52587 1 143 140 VAL . 52587 1 144 141 SER . 52587 1 145 142 GLN . 52587 1 146 143 ALA . 52587 1 147 144 GLY . 52587 1 148 145 LEU . 52587 1 149 146 ARG . 52587 1 150 147 ARG . 52587 1 151 148 PHE . 52587 1 152 149 LEU . 52587 1 153 150 ALA . 52587 1 154 151 ALA . 52587 1 155 152 LEU . 52587 1 156 153 GLY . 52587 1 157 154 VAL . 52587 1 158 155 GLU . 52587 1 159 156 PRO . 52587 1 160 157 MET . 52587 1 161 158 ILE . 52587 1 162 159 VAL . 52587 1 163 160 ASP . 52587 1 164 161 PHE . 52587 1 165 162 ALA . 52587 1 166 163 ALA . 52587 1 167 164 MET . 52587 1 168 165 GLU . 52587 1 169 166 VAL . 52587 1 170 167 VAL . 52587 1 171 168 GLY . 52587 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 52587 1 . SER 2 2 52587 1 . HIS 3 3 52587 1 . MET 4 4 52587 1 . LYS 5 5 52587 1 . THR 6 6 52587 1 . ARG 7 7 52587 1 . ALA 8 8 52587 1 . ASP 9 9 52587 1 . LEU 10 10 52587 1 . PHE 11 11 52587 1 . ALA 12 12 52587 1 . PHE 13 13 52587 1 . PHE 14 14 52587 1 . ASP 15 15 52587 1 . ALA 16 16 52587 1 . HIS 17 17 52587 1 . GLY 18 18 52587 1 . VAL 19 19 52587 1 . ASP 20 20 52587 1 . HIS 21 21 52587 1 . LYS 22 22 52587 1 . THR 23 23 52587 1 . LEU 24 24 52587 1 . ASP 25 25 52587 1 . HIS 26 26 52587 1 . PRO 27 27 52587 1 . PRO 28 28 52587 1 . VAL 29 29 52587 1 . PHE 30 30 52587 1 . ARG 31 31 52587 1 . VAL 32 32 52587 1 . GLU 33 33 52587 1 . GLU 34 34 52587 1 . GLY 35 35 52587 1 . LEU 36 36 52587 1 . GLU 37 37 52587 1 . ILE 38 38 52587 1 . LYS 39 39 52587 1 . ALA 40 40 52587 1 . ALA 41 41 52587 1 . MET 42 42 52587 1 . PRO 43 43 52587 1 . GLY 44 44 52587 1 . GLY 45 45 52587 1 . HIS 46 46 52587 1 . THR 47 47 52587 1 . LYS 48 48 52587 1 . ASN 49 49 52587 1 . LEU 50 50 52587 1 . PHE 51 51 52587 1 . LEU 52 52 52587 1 . LYS 53 53 52587 1 . ASP 54 54 52587 1 . ALA 55 55 52587 1 . LYS 56 56 52587 1 . GLY 57 57 52587 1 . GLN 58 58 52587 1 . LEU 59 59 52587 1 . TRP 60 60 52587 1 . LEU 61 61 52587 1 . ILE 62 62 52587 1 . SER 63 63 52587 1 . ALA 64 64 52587 1 . LEU 65 65 52587 1 . GLY 66 66 52587 1 . GLU 67 67 52587 1 . THR 68 68 52587 1 . THR 69 69 52587 1 . ILE 70 70 52587 1 . ASP 71 71 52587 1 . LEU 72 72 52587 1 . LYS 73 73 52587 1 . LYS 74 74 52587 1 . LEU 75 75 52587 1 . HIS 76 76 52587 1 . HIS 77 77 52587 1 . VAL 78 78 52587 1 . ILE 79 79 52587 1 . GLY 80 80 52587 1 . SER 81 81 52587 1 . GLY 82 82 52587 1 . ARG 83 83 52587 1 . LEU 84 84 52587 1 . SER 85 85 52587 1 . PHE 86 86 52587 1 . GLY 87 87 52587 1 . PRO 88 88 52587 1 . GLN 89 89 52587 1 . GLU 90 90 52587 1 . MET 91 91 52587 1 . MET 92 92 52587 1 . LEU 93 93 52587 1 . GLU 94 94 52587 1 . THR 95 95 52587 1 . LEU 96 96 52587 1 . GLY 97 97 52587 1 . VAL 98 98 52587 1 . THR 99 99 52587 1 . PRO 100 100 52587 1 . GLY 101 101 52587 1 . SER 102 102 52587 1 . VAL 103 103 52587 1 . THR 104 104 52587 1 . ALA 105 105 52587 1 . PHE 106 106 52587 1 . GLY 107 107 52587 1 . LEU 108 108 52587 1 . ILE 109 109 52587 1 . ASN 110 110 52587 1 . ASP 111 111 52587 1 . THR 112 112 52587 1 . GLU 113 113 52587 1 . LYS 114 114 52587 1 . ARG 115 115 52587 1 . VAL 116 116 52587 1 . ARG 117 117 52587 1 . PHE 118 118 52587 1 . VAL 119 119 52587 1 . LEU 120 120 52587 1 . ASP 121 121 52587 1 . LYS 122 122 52587 1 . ALA 123 123 52587 1 . LEU 124 124 52587 1 . ALA 125 125 52587 1 . ASP 126 126 52587 1 . SER 127 127 52587 1 . ASP 128 128 52587 1 . PRO 129 129 52587 1 . VAL 130 130 52587 1 . ASN 131 131 52587 1 . PHE 132 132 52587 1 . HIS 133 133 52587 1 . PRO 134 134 52587 1 . LEU 135 135 52587 1 . LYS 136 136 52587 1 . ASN 137 137 52587 1 . ASP 138 138 52587 1 . ALA 139 139 52587 1 . THR 140 140 52587 1 . THR 141 141 52587 1 . ALA 142 142 52587 1 . VAL 143 143 52587 1 . SER 144 144 52587 1 . GLN 145 145 52587 1 . ALA 146 146 52587 1 . GLY 147 147 52587 1 . LEU 148 148 52587 1 . ARG 149 149 52587 1 . ARG 150 150 52587 1 . PHE 151 151 52587 1 . LEU 152 152 52587 1 . ALA 153 153 52587 1 . ALA 154 154 52587 1 . LEU 155 155 52587 1 . GLY 156 156 52587 1 . VAL 157 157 52587 1 . GLU 158 158 52587 1 . PRO 159 159 52587 1 . MET 160 160 52587 1 . ILE 161 161 52587 1 . VAL 162 162 52587 1 . ASP 163 163 52587 1 . PHE 164 164 52587 1 . ALA 165 165 52587 1 . ALA 166 166 52587 1 . MET 167 167 52587 1 . GLU 168 168 52587 1 . VAL 169 169 52587 1 . VAL 170 170 52587 1 . GLY 171 171 52587 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52587 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 155892 organism . 'Caulobacter crescentus' 'Caulobacter vibrioides' . . Bacteria . Caulobacter crescentus . . . . . . . . . . . . . 52587 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52587 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pet15b . . . 52587 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52587 _Sample.ID 1 _Sample.Name 'Cc ProXp-ala' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Cc ProXp-ala' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.6 0.5 0.7 mM . . . . 52587 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 52587 _Sample_condition_list.ID 1 _Sample_condition_list.Name ProXp-ala _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 10 . mM 52587 1 pH 7.5 . pH 52587 1 pressure 1 . atm 52587 1 temperature 298 . K 52587 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52587 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52587 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52587 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52587 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52587 _Software.ID 3 _Software.Type . _Software.Name NMRViewJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52587 3 'peak picking' . 52587 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 52587 _Software.ID 4 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure solution' . 52587 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52587 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 800' _NMR_spectrometer.Details 'DRX-800 with TXI probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 52587 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Bruker 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52587 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' yes no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52587 1 2 '2D 1H-13C HSQC' yes no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52587 1 3 '3D HBHANH' yes no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52587 1 4 '3D C(CO)NH' yes no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52587 1 5 '3D H(CCO)NH' yes no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52587 1 6 '3D HNCO' yes no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52587 1 7 '3D HNCA' yes no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52587 1 8 '3D HN(CO)CA' yes no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52587 1 9 '3D HNCACB' yes no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52587 1 10 '3D CBCACONH' yes no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52587 1 11 '3D 1H-15N NOESY' yes no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52587 1 12 '3D 1H-13C NOESY' yes no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52587 1 13 '1D 1H' yes no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52587 1 14 '1D 1H' yes no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52587 1 stop_ loop_ _Experiment_file.Experiment_ID _Experiment_file.Experiment_name _Experiment_file.Name _Experiment_file.Type _Experiment_file.Content _Experiment_file.Directory_path _Experiment_file.Details _Experiment_file.Entry_ID _Experiment_file.Experiment_list_ID 1 '2D 1H-15N HSQC' 15N-HSQC.zip . 'NMR experiment directory' . . 52587 1 2 '2D 1H-13C HSQC' 13C-HSQC.zip . 'NMR experiment directory' . . 52587 1 3 '3D HBHANH' HBHACONH.zip . 'NMR experiment directory' . . 52587 1 4 '3D C(CO)NH' CCCONH.zip . 'NMR experiment directory' . . 52587 1 5 '3D H(CCO)NH' HCCONH.zip . 'NMR experiment directory' . . 52587 1 6 '3D HNCO' HNCO.zip . 'NMR experiment directory' . . 52587 1 7 '3D HNCA' HNCA.zip . 'NMR experiment directory' . . 52587 1 8 '3D HN(CO)CA' HNCOCA.zip . 'NMR experiment directory' . . 52587 1 9 '3D HNCACB' HNCACB.zip . 'NMR experiment directory' . . 52587 1 10 '3D CBCACONH' CBCACONH.zip . 'NMR experiment directory' . . 52587 1 11 '3D 1H-15N NOESY' 105-NUS-reconstructed.zip . 'NMR experiment directory' . 'NUS reconstruction applied to 15N-edited NOESY due to cryoprobe arcing during collection' 52587 1 13 '1D 1H' 1-1.zip . 'NMR experiment directory' . 'Referencing for 15N-HSQC, 13C-HSQC, HBHACONH' 52587 1 13 '1D 1H' 1-2.zip . 'NMR experiment directory' . 'Referencing for HCCONH, CCCONH' 52587 1 13 '1D 1H' 1-4.zip . 'NMR experiment directory' . 'Referencing for 15N-edited-NOESY, 13C-edited-NOESY' 52587 1 14 '1D 1H' 1-3.zip . 'NMR experiment directory' . 'Referencing for HNCO, HNCA, HNCOCA, HNCACB, CBCACONH' 52587 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 52587 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Set 1' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 52587 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 52587 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 52587 1 stop_ save_ save_chem_shift_reference_2 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_2 _Chem_shift_reference.Entry_ID 52587 _Chem_shift_reference.ID 2 _Chem_shift_reference.Name 'Set 2' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 52587 2 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 52587 2 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 52587 2 stop_ save_ save_chem_shift_reference_3 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_3 _Chem_shift_reference.Entry_ID 52587 _Chem_shift_reference.ID 3 _Chem_shift_reference.Name 'Set 3' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 52587 3 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 52587 3 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 52587 3 stop_ save_ save_chem_shift_reference_4 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_4 _Chem_shift_reference.Entry_ID 52587 _Chem_shift_reference.ID 4 _Chem_shift_reference.Name 'Set 4' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 52587 4 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 52587 4 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 52587 4 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52587 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'All assignments' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 52587 1 2 '2D 1H-13C HSQC' . . . 52587 1 3 '3D HBHANH' . . . 52587 1 4 '3D C(CO)NH' . . . 52587 1 5 '3D H(CCO)NH' . . . 52587 1 6 '3D HNCO' . . . 52587 1 7 '3D HNCA' . . . 52587 1 8 '3D HN(CO)CA' . . . 52587 1 9 '3D HNCACB' . . . 52587 1 10 '3D CBCACONH' . . . 52587 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $software_3 . . 52587 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 4 4 MET HA H 1 4.390 0.000 . . . . . . . 1 M HA . 52587 1 2 . 1 . 1 4 4 MET HB2 H 1 1.980 0.000 . . . . . . . 1 M HB2 . 52587 1 3 . 1 . 1 4 4 MET HG2 H 1 2.470 0.000 . . . . . . . 1 M HG2 . 52587 1 4 . 1 . 1 4 4 MET HE1 H 1 1.972 0.000 . . . . . . . 1 M HE1 . 52587 1 5 . 1 . 1 4 4 MET HE2 H 1 1.972 0.000 . . . . . . . 1 M HE2 . 52587 1 6 . 1 . 1 4 4 MET HE3 H 1 1.972 0.000 . . . . . . . 1 M HE3 . 52587 1 7 . 1 . 1 4 4 MET C C 13 175.510 0.000 . . . . . . . 1 M C . 52587 1 8 . 1 . 1 4 4 MET CA C 13 55.320 0.000 . . . . . . . 1 M CA . 52587 1 9 . 1 . 1 4 4 MET CB C 13 33.049 0.000 . . . . . . . 1 M CB . 52587 1 10 . 1 . 1 4 4 MET CG C 13 31.900 0.000 . . . . . . . 1 M CG . 52587 1 11 . 1 . 1 4 4 MET CE C 13 17.014 0.000 . . . . . . . 1 M CE . 52587 1 12 . 1 . 1 4 4 MET N N 15 122.312 0.000 . . . . . . . 1 M N . 52587 1 13 . 1 . 1 5 5 LYS H H 1 8.889 0.000 . . . . . . . 2 K H . 52587 1 14 . 1 . 1 5 5 LYS HA H 1 4.501 0.000 . . . . . . . 2 K HA . 52587 1 15 . 1 . 1 5 5 LYS HB2 H 1 1.683 0.000 . . . . . . . 2 K HB2 . 52587 1 16 . 1 . 1 5 5 LYS HB3 H 1 1.680 0.000 . . . . . . . 2 K HB3 . 52587 1 17 . 1 . 1 5 5 LYS HG2 H 1 1.436 0.000 . . . . . . . 2 K HG2 . 52587 1 18 . 1 . 1 5 5 LYS HG3 H 1 1.416 0.000 . . . . . . . 2 K HG3 . 52587 1 19 . 1 . 1 5 5 LYS HD2 H 1 1.510 0.000 . . . . . . . 2 K HD2 . 52587 1 20 . 1 . 1 5 5 LYS HD3 H 1 1.490 0.000 . . . . . . . 2 K HD3 . 52587 1 21 . 1 . 1 5 5 LYS HE2 H 1 2.873 0.000 . . . . . . . 2 K HE2 . 52587 1 22 . 1 . 1 5 5 LYS HE3 H 1 2.873 0.000 . . . . . . . 2 K HE3 . 52587 1 23 . 1 . 1 5 5 LYS C C 13 174.471 0.000 . . . . . . . 2 K C . 52587 1 24 . 1 . 1 5 5 LYS CA C 13 56.164 0.000 . . . . . . . 2 K CA . 52587 1 25 . 1 . 1 5 5 LYS CB C 13 32.464 0.000 . . . . . . . 2 K CB . 52587 1 26 . 1 . 1 5 5 LYS CG C 13 25.900 0.000 . . . . . . . 2 K CG . 52587 1 27 . 1 . 1 5 5 LYS CD C 13 28.840 0.000 . . . . . . . 2 K CD . 52587 1 28 . 1 . 1 5 5 LYS CE C 13 42.600 0.000 . . . . . . . 2 K CE . 52587 1 29 . 1 . 1 5 5 LYS N N 15 123.593 0.000 . . . . . . . 2 K N . 52587 1 30 . 1 . 1 6 6 THR H H 1 9.072 0.000 . . . . . . . 3 T H . 52587 1 31 . 1 . 1 6 6 THR HA H 1 4.474 0.000 . . . . . . . 3 T HA . 52587 1 32 . 1 . 1 6 6 THR HB H 1 4.630 0.000 . . . . . . . 3 T HB . 52587 1 33 . 1 . 1 6 6 THR HG21 H 1 1.206 0.000 . . . . . . . 3 T HG21 . 52587 1 34 . 1 . 1 6 6 THR HG22 H 1 1.206 0.000 . . . . . . . 3 T HG22 . 52587 1 35 . 1 . 1 6 6 THR HG23 H 1 1.206 0.000 . . . . . . . 3 T HG23 . 52587 1 36 . 1 . 1 6 6 THR C C 13 176.060 0.000 . . . . . . . 3 T C . 52587 1 37 . 1 . 1 6 6 THR CA C 13 59.790 0.000 . . . . . . . 3 T CA . 52587 1 38 . 1 . 1 6 6 THR CB C 13 72.090 0.000 . . . . . . . 3 T CB . 52587 1 39 . 1 . 1 6 6 THR CG2 C 13 21.420 0.000 . . . . . . . 3 T CG2 . 52587 1 40 . 1 . 1 6 6 THR N N 15 112.456 0.000 . . . . . . . 3 T N . 52587 1 41 . 1 . 1 7 7 ARG H H 1 8.799 0.000 . . . . . . . 4 R H . 52587 1 42 . 1 . 1 7 7 ARG HA H 1 3.387 0.000 . . . . . . . 4 R HA . 52587 1 43 . 1 . 1 7 7 ARG HB2 H 1 1.710 0.000 . . . . . . . 4 R HB2 . 52587 1 44 . 1 . 1 7 7 ARG HB3 H 1 1.976 0.000 . . . . . . . 4 R HB3 . 52587 1 45 . 1 . 1 7 7 ARG HG2 H 1 1.094 0.000 . . . . . . . 4 R HG2 . 52587 1 46 . 1 . 1 7 7 ARG HG3 H 1 1.132 0.000 . . . . . . . 4 R HG3 . 52587 1 47 . 1 . 1 7 7 ARG HD2 H 1 3.100 0.000 . . . . . . . 4 R HD2 . 52587 1 48 . 1 . 1 7 7 ARG HD3 H 1 3.100 0.000 . . . . . . . 4 R HD3 . 52587 1 49 . 1 . 1 7 7 ARG HE H 1 7.570 0.000 . . . . . . . 4 R HE . 52587 1 50 . 1 . 1 7 7 ARG C C 13 175.230 0.000 . . . . . . . 4 R C . 52587 1 51 . 1 . 1 7 7 ARG CA C 13 59.908 0.000 . . . . . . . 4 R CA . 52587 1 52 . 1 . 1 7 7 ARG CB C 13 29.936 0.000 . . . . . . . 4 R CB . 52587 1 53 . 1 . 1 7 7 ARG CG C 13 25.600 0.000 . . . . . . . 4 R CG . 52587 1 54 . 1 . 1 7 7 ARG CD C 13 44.340 0.000 . . . . . . . 4 R CD . 52587 1 55 . 1 . 1 7 7 ARG N N 15 121.440 0.000 . . . . . . . 4 R N . 52587 1 56 . 1 . 1 8 8 ALA H H 1 7.978 0.000 . . . . . . . 5 A H . 52587 1 57 . 1 . 1 8 8 ALA HA H 1 4.032 0.000 . . . . . . . 5 A HA . 52587 1 58 . 1 . 1 8 8 ALA HB1 H 1 1.383 0.000 . . . . . . . 5 A HB1 . 52587 1 59 . 1 . 1 8 8 ALA HB2 H 1 1.383 0.000 . . . . . . . 5 A HB2 . 52587 1 60 . 1 . 1 8 8 ALA HB3 H 1 1.383 0.000 . . . . . . . 5 A HB3 . 52587 1 61 . 1 . 1 8 8 ALA C C 13 182.233 0.000 . . . . . . . 5 A C . 52587 1 62 . 1 . 1 8 8 ALA CA C 13 55.161 0.000 . . . . . . . 5 A CA . 52587 1 63 . 1 . 1 8 8 ALA CB C 13 17.983 0.000 . . . . . . . 5 A CB . 52587 1 64 . 1 . 1 8 8 ALA N N 15 118.734 0.000 . . . . . . . 5 A N . 52587 1 65 . 1 . 1 9 9 ASP H H 1 7.420 0.000 . . . . . . . 6 D H . 52587 1 66 . 1 . 1 9 9 ASP HA H 1 4.379 0.000 . . . . . . . 6 D HA . 52587 1 67 . 1 . 1 9 9 ASP HB2 H 1 2.609 0.000 . . . . . . . 6 D HB2 . 52587 1 68 . 1 . 1 9 9 ASP HB3 H 1 2.987 0.000 . . . . . . . 6 D HB3 . 52587 1 69 . 1 . 1 9 9 ASP C C 13 172.316 0.000 . . . . . . . 6 D C . 52587 1 70 . 1 . 1 9 9 ASP CA C 13 56.891 0.000 . . . . . . . 6 D CA . 52587 1 71 . 1 . 1 9 9 ASP CB C 13 41.344 0.000 . . . . . . . 6 D CB . 52587 1 72 . 1 . 1 9 9 ASP N N 15 118.270 0.000 . . . . . . . 6 D N . 52587 1 73 . 1 . 1 10 10 LEU H H 1 7.979 0.000 . . . . . . . 7 L H . 52587 1 74 . 1 . 1 10 10 LEU HA H 1 3.588 0.000 . . . . . . . 7 L HA . 52587 1 75 . 1 . 1 10 10 LEU HB2 H 1 1.664 0.000 . . . . . . . 7 L HB2 . 52587 1 76 . 1 . 1 10 10 LEU HB3 H 1 0.859 0.000 . . . . . . . 7 L HB3 . 52587 1 77 . 1 . 1 10 10 LEU HG H 1 0.295 0.000 . . . . . . . 7 L HG . 52587 1 78 . 1 . 1 10 10 LEU HD11 H 1 0.268 0.000 . . . . . . . 7 L HD11 . 52587 1 79 . 1 . 1 10 10 LEU HD12 H 1 0.268 0.000 . . . . . . . 7 L HD12 . 52587 1 80 . 1 . 1 10 10 LEU HD13 H 1 0.268 0.000 . . . . . . . 7 L HD13 . 52587 1 81 . 1 . 1 10 10 LEU HD21 H 1 -0.010 0.000 . . . . . . . 7 L HD21 . 52587 1 82 . 1 . 1 10 10 LEU HD22 H 1 -0.010 0.000 . . . . . . . 7 L HD22 . 52587 1 83 . 1 . 1 10 10 LEU HD23 H 1 -0.010 0.000 . . . . . . . 7 L HD23 . 52587 1 84 . 1 . 1 10 10 LEU C C 13 174.557 0.000 . . . . . . . 7 L C . 52587 1 85 . 1 . 1 10 10 LEU CA C 13 58.180 0.000 . . . . . . . 7 L CA . 52587 1 86 . 1 . 1 10 10 LEU CB C 13 41.360 0.000 . . . . . . . 7 L CB . 52587 1 87 . 1 . 1 10 10 LEU CG C 13 23.609 0.000 . . . . . . . 7 L CG . 52587 1 88 . 1 . 1 10 10 LEU CD1 C 13 24.032 0.000 . . . . . . . 7 L CD1 . 52587 1 89 . 1 . 1 10 10 LEU CD2 C 13 25.770 0.000 . . . . . . . 7 L CD2 . 52587 1 90 . 1 . 1 10 10 LEU N N 15 122.855 0.000 . . . . . . . 7 L N . 52587 1 91 . 1 . 1 11 11 PHE H H 1 7.956 0.000 . . . . . . . 8 F H . 52587 1 92 . 1 . 1 11 11 PHE HA H 1 3.982 0.000 . . . . . . . 8 F HA . 52587 1 93 . 1 . 1 11 11 PHE HB2 H 1 3.295 0.000 . . . . . . . 8 F HB2 . 52587 1 94 . 1 . 1 11 11 PHE HB3 H 1 3.021 0.000 . . . . . . . 8 F HB3 . 52587 1 95 . 1 . 1 11 11 PHE HD1 H 1 6.724 0.000 . . . . . . . 8 F HD1 . 52587 1 96 . 1 . 1 11 11 PHE C C 13 173.629 0.000 . . . . . . . 8 F C . 52587 1 97 . 1 . 1 11 11 PHE CA C 13 58.132 0.000 . . . . . . . 8 F CA . 52587 1 98 . 1 . 1 11 11 PHE CB C 13 36.115 0.000 . . . . . . . 8 F CB . 52587 1 99 . 1 . 1 11 11 PHE N N 15 117.219 0.000 . . . . . . . 8 F N . 52587 1 100 . 1 . 1 12 12 ALA H H 1 7.888 0.000 . . . . . . . 9 A H . 52587 1 101 . 1 . 1 12 12 ALA HA H 1 4.362 0.000 . . . . . . . 9 A HA . 52587 1 102 . 1 . 1 12 12 ALA HB1 H 1 1.621 0.000 . . . . . . . 9 A HB1 . 52587 1 103 . 1 . 1 12 12 ALA HB2 H 1 1.621 0.000 . . . . . . . 9 A HB2 . 52587 1 104 . 1 . 1 12 12 ALA HB3 H 1 1.621 0.000 . . . . . . . 9 A HB3 . 52587 1 105 . 1 . 1 12 12 ALA C C 13 182.913 0.000 . . . . . . . 9 A C . 52587 1 106 . 1 . 1 12 12 ALA CA C 13 55.174 0.000 . . . . . . . 9 A CA . 52587 1 107 . 1 . 1 12 12 ALA CB C 13 17.736 0.000 . . . . . . . 9 A CB . 52587 1 108 . 1 . 1 12 12 ALA N N 15 121.367 0.000 . . . . . . . 9 A N . 52587 1 109 . 1 . 1 13 13 PHE H H 1 8.010 0.000 . . . . . . . 10 F H . 52587 1 110 . 1 . 1 13 13 PHE HA H 1 4.417 0.000 . . . . . . . 10 F HA . 52587 1 111 . 1 . 1 13 13 PHE HB2 H 1 3.175 0.000 . . . . . . . 10 F HB2 . 52587 1 112 . 1 . 1 13 13 PHE HB3 H 1 3.438 0.000 . . . . . . . 10 F HB3 . 52587 1 113 . 1 . 1 13 13 PHE HD1 H 1 7.340 0.000 . . . . . . . 10 F HD1 . 52587 1 114 . 1 . 1 13 13 PHE C C 13 172.823 0.000 . . . . . . . 10 F C . 52587 1 115 . 1 . 1 13 13 PHE CA C 13 61.976 0.000 . . . . . . . 10 F CA . 52587 1 116 . 1 . 1 13 13 PHE CB C 13 39.568 0.000 . . . . . . . 10 F CB . 52587 1 117 . 1 . 1 13 13 PHE CD1 C 13 131.447 0.000 . . . . . . . 10 F CD1 . 52587 1 118 . 1 . 1 13 13 PHE N N 15 122.893 0.000 . . . . . . . 10 F N . 52587 1 119 . 1 . 1 14 14 PHE H H 1 8.834 0.000 . . . . . . . 11 F H . 52587 1 120 . 1 . 1 14 14 PHE HA H 1 4.510 0.000 . . . . . . . 11 F HA . 52587 1 121 . 1 . 1 14 14 PHE HB2 H 1 3.803 0.000 . . . . . . . 11 F HB2 . 52587 1 122 . 1 . 1 14 14 PHE HB3 H 1 3.484 0.000 . . . . . . . 11 F HB3 . 52587 1 123 . 1 . 1 14 14 PHE HD1 H 1 6.560 0.000 . . . . . . . 11 F HD1 . 52587 1 124 . 1 . 1 14 14 PHE HD2 H 1 7.405 0.000 . . . . . . . 11 F HD2 . 52587 1 125 . 1 . 1 14 14 PHE C C 13 172.135 0.000 . . . . . . . 11 F C . 52587 1 126 . 1 . 1 14 14 PHE CA C 13 57.296 0.000 . . . . . . . 11 F CA . 52587 1 127 . 1 . 1 14 14 PHE CB C 13 36.797 0.000 . . . . . . . 11 F CB . 52587 1 128 . 1 . 1 14 14 PHE CD1 C 13 128.198 0.000 . . . . . . . 11 F CD1 . 52587 1 129 . 1 . 1 14 14 PHE N N 15 118.615 0.000 . . . . . . . 11 F N . 52587 1 130 . 1 . 1 15 15 ASP H H 1 8.665 0.000 . . . . . . . 12 D H . 52587 1 131 . 1 . 1 15 15 ASP HA H 1 4.619 0.000 . . . . . . . 12 D HA . 52587 1 132 . 1 . 1 15 15 ASP HB2 H 1 2.882 0.000 . . . . . . . 12 D HB2 . 52587 1 133 . 1 . 1 15 15 ASP C C 13 172.149 0.000 . . . . . . . 12 D C . 52587 1 134 . 1 . 1 15 15 ASP CA C 13 57.351 0.000 . . . . . . . 12 D CA . 52587 1 135 . 1 . 1 15 15 ASP CB C 13 39.810 0.000 . . . . . . . 12 D CB . 52587 1 136 . 1 . 1 15 15 ASP N N 15 120.005 0.000 . . . . . . . 12 D N . 52587 1 137 . 1 . 1 16 16 ALA H H 1 8.031 0.000 . . . . . . . 13 A H . 52587 1 138 . 1 . 1 16 16 ALA HA H 1 4.103 0.000 . . . . . . . 13 A HA . 52587 1 139 . 1 . 1 16 16 ALA HB1 H 1 1.226 0.000 . . . . . . . 13 A HB1 . 52587 1 140 . 1 . 1 16 16 ALA HB2 H 1 1.226 0.000 . . . . . . . 13 A HB2 . 52587 1 141 . 1 . 1 16 16 ALA HB3 H 1 1.226 0.000 . . . . . . . 13 A HB3 . 52587 1 142 . 1 . 1 16 16 ALA C C 13 172.713 0.000 . . . . . . . 13 A C . 52587 1 143 . 1 . 1 16 16 ALA CA C 13 53.985 0.000 . . . . . . . 13 A CA . 52587 1 144 . 1 . 1 16 16 ALA CB C 13 17.997 0.000 . . . . . . . 13 A CB . 52587 1 145 . 1 . 1 16 16 ALA N N 15 122.048 0.000 . . . . . . . 13 A N . 52587 1 146 . 1 . 1 17 17 HIS H H 1 7.392 0.000 . . . . . . . 14 H H . 52587 1 147 . 1 . 1 17 17 HIS HA H 1 4.678 0.000 . . . . . . . 14 H HA . 52587 1 148 . 1 . 1 17 17 HIS HB2 H 1 3.287 0.000 . . . . . . . 14 H HB2 . 52587 1 149 . 1 . 1 17 17 HIS HB3 H 1 2.451 0.000 . . . . . . . 14 H HB3 . 52587 1 150 . 1 . 1 17 17 HIS HD2 H 1 5.864 0.000 . . . . . . . 14 H HD2 . 52587 1 151 . 1 . 1 17 17 HIS C C 13 176.378 0.000 . . . . . . . 14 H C . 52587 1 152 . 1 . 1 17 17 HIS CA C 13 56.356 0.000 . . . . . . . 14 H CA . 52587 1 153 . 1 . 1 17 17 HIS CB C 13 30.164 0.000 . . . . . . . 14 H CB . 52587 1 154 . 1 . 1 17 17 HIS N N 15 113.436 0.000 . . . . . . . 14 H N . 52587 1 155 . 1 . 1 17 17 HIS ND1 N 15 121.925 0.000 . . . . . . . 14 H ND1 . 52587 1 156 . 1 . 1 18 18 GLY H H 1 7.601 0.000 . . . . . . . 15 G H . 52587 1 157 . 1 . 1 18 18 GLY HA2 H 1 4.017 0.000 . . . . . . . 15 G HA2 . 52587 1 158 . 1 . 1 18 18 GLY HA3 H 1 3.935 0.000 . . . . . . . 15 G HA3 . 52587 1 159 . 1 . 1 18 18 GLY C C 13 176.500 0.000 . . . . . . . 15 G C . 52587 1 160 . 1 . 1 18 18 GLY CA C 13 47.255 0.000 . . . . . . . 15 G CA . 52587 1 161 . 1 . 1 18 18 GLY N N 15 108.486 0.000 . . . . . . . 15 G N . 52587 1 162 . 1 . 1 19 19 VAL H H 1 8.704 0.000 . . . . . . . 16 V H . 52587 1 163 . 1 . 1 19 19 VAL HA H 1 3.789 0.000 . . . . . . . 16 V HA . 52587 1 164 . 1 . 1 19 19 VAL HB H 1 1.911 0.000 . . . . . . . 16 V HB . 52587 1 165 . 1 . 1 19 19 VAL HG11 H 1 1.070 0.000 . . . . . . . 16 V HG11 . 52587 1 166 . 1 . 1 19 19 VAL HG12 H 1 1.070 0.000 . . . . . . . 16 V HG12 . 52587 1 167 . 1 . 1 19 19 VAL HG13 H 1 1.070 0.000 . . . . . . . 16 V HG13 . 52587 1 168 . 1 . 1 19 19 VAL HG21 H 1 0.226 0.000 . . . . . . . 16 V HG21 . 52587 1 169 . 1 . 1 19 19 VAL HG22 H 1 0.226 0.000 . . . . . . . 16 V HG22 . 52587 1 170 . 1 . 1 19 19 VAL HG23 H 1 0.226 0.000 . . . . . . . 16 V HG23 . 52587 1 171 . 1 . 1 19 19 VAL C C 13 176.617 0.000 . . . . . . . 16 V C . 52587 1 172 . 1 . 1 19 19 VAL CA C 13 62.494 0.000 . . . . . . . 16 V CA . 52587 1 173 . 1 . 1 19 19 VAL CB C 13 31.663 0.000 . . . . . . . 16 V CB . 52587 1 174 . 1 . 1 19 19 VAL CG1 C 13 20.700 0.000 . . . . . . . 16 V CG1 . 52587 1 175 . 1 . 1 19 19 VAL CG2 C 13 19.805 0.000 . . . . . . . 16 V CG2 . 52587 1 176 . 1 . 1 19 19 VAL N N 15 122.854 0.000 . . . . . . . 16 V N . 52587 1 177 . 1 . 1 20 20 ASP H H 1 8.351 0.000 . . . . . . . 17 D H . 52587 1 178 . 1 . 1 20 20 ASP HA H 1 4.544 0.000 . . . . . . . 17 D HA . 52587 1 179 . 1 . 1 20 20 ASP HB2 H 1 2.654 0.000 . . . . . . . 17 D HB2 . 52587 1 180 . 1 . 1 20 20 ASP HB3 H 1 2.553 0.000 . . . . . . . 17 D HB3 . 52587 1 181 . 1 . 1 20 20 ASP C C 13 178.060 0.000 . . . . . . . 17 D C . 52587 1 182 . 1 . 1 20 20 ASP CA C 13 53.760 0.000 . . . . . . . 17 D CA . 52587 1 183 . 1 . 1 20 20 ASP CB C 13 41.222 0.000 . . . . . . . 17 D CB . 52587 1 184 . 1 . 1 20 20 ASP N N 15 127.939 0.000 . . . . . . . 17 D N . 52587 1 185 . 1 . 1 21 21 HIS H H 1 7.721 0.000 . . . . . . . 18 H H . 52587 1 186 . 1 . 1 21 21 HIS HA H 1 5.395 0.000 . . . . . . . 18 H HA . 52587 1 187 . 1 . 1 21 21 HIS HB2 H 1 2.644 0.000 . . . . . . . 18 H HB2 . 52587 1 188 . 1 . 1 21 21 HIS HB3 H 1 2.446 0.000 . . . . . . . 18 H HB3 . 52587 1 189 . 1 . 1 21 21 HIS C C 13 177.278 0.000 . . . . . . . 18 H C . 52587 1 190 . 1 . 1 21 21 HIS CA C 13 53.935 0.000 . . . . . . . 18 H CA . 52587 1 191 . 1 . 1 21 21 HIS CB C 13 33.612 0.000 . . . . . . . 18 H CB . 52587 1 192 . 1 . 1 21 21 HIS N N 15 113.687 0.000 . . . . . . . 18 H N . 52587 1 193 . 1 . 1 21 21 HIS ND1 N 15 129.780 0.000 . . . . . . . 18 H ND1 . 52587 1 194 . 1 . 1 22 22 LYS H H 1 8.123 0.000 . . . . . . . 19 K H . 52587 1 195 . 1 . 1 22 22 LYS HA H 1 4.603 0.000 . . . . . . . 19 K HA . 52587 1 196 . 1 . 1 22 22 LYS HB2 H 1 1.811 0.000 . . . . . . . 19 K HB2 . 52587 1 197 . 1 . 1 22 22 LYS HB3 H 1 1.811 0.000 . . . . . . . 19 K HB3 . 52587 1 198 . 1 . 1 22 22 LYS HG2 H 1 1.350 0.000 . . . . . . . 19 K HG2 . 52587 1 199 . 1 . 1 22 22 LYS HG3 H 1 1.510 0.000 . . . . . . . 19 K HG3 . 52587 1 200 . 1 . 1 22 22 LYS HD2 H 1 1.439 0.000 . . . . . . . 19 K HD2 . 52587 1 201 . 1 . 1 22 22 LYS HD3 H 1 1.356 0.000 . . . . . . . 19 K HD3 . 52587 1 202 . 1 . 1 22 22 LYS HE2 H 1 2.989 0.000 . . . . . . . 19 K HE2 . 52587 1 203 . 1 . 1 22 22 LYS HE3 H 1 2.989 0.000 . . . . . . . 19 K HE3 . 52587 1 204 . 1 . 1 22 22 LYS C C 13 178.156 0.000 . . . . . . . 19 K C . 52587 1 205 . 1 . 1 22 22 LYS CA C 13 55.813 0.000 . . . . . . . 19 K CA . 52587 1 206 . 1 . 1 22 22 LYS CB C 13 35.785 0.000 . . . . . . . 19 K CB . 52587 1 207 . 1 . 1 22 22 LYS CG C 13 24.770 0.000 . . . . . . . 19 K CG . 52587 1 208 . 1 . 1 22 22 LYS CD C 13 24.985 0.000 . . . . . . . 19 K CD . 52587 1 209 . 1 . 1 22 22 LYS CE C 13 42.300 0.000 . . . . . . . 19 K CE . 52587 1 210 . 1 . 1 22 22 LYS N N 15 121.924 0.000 . . . . . . . 19 K N . 52587 1 211 . 1 . 1 23 23 THR H H 1 8.743 0.000 . . . . . . . 20 T H . 52587 1 212 . 1 . 1 23 23 THR HA H 1 5.435 0.000 . . . . . . . 20 T HA . 52587 1 213 . 1 . 1 23 23 THR HB H 1 3.874 0.000 . . . . . . . 20 T HB . 52587 1 214 . 1 . 1 23 23 THR HG21 H 1 1.230 0.000 . . . . . . . 20 T HG21 . 52587 1 215 . 1 . 1 23 23 THR HG22 H 1 1.230 0.000 . . . . . . . 20 T HG22 . 52587 1 216 . 1 . 1 23 23 THR HG23 H 1 1.230 0.000 . . . . . . . 20 T HG23 . 52587 1 217 . 1 . 1 23 23 THR C C 13 178.091 0.000 . . . . . . . 20 T C . 52587 1 218 . 1 . 1 23 23 THR CA C 13 63.025 0.000 . . . . . . . 20 T CA . 52587 1 219 . 1 . 1 23 23 THR CB C 13 70.731 0.000 . . . . . . . 20 T CB . 52587 1 220 . 1 . 1 23 23 THR CG2 C 13 22.619 0.000 . . . . . . . 20 T CG2 . 52587 1 221 . 1 . 1 23 23 THR N N 15 123.150 0.000 . . . . . . . 20 T N . 52587 1 222 . 1 . 1 24 24 LEU H H 1 9.291 0.000 . . . . . . . 21 L H . 52587 1 223 . 1 . 1 24 24 LEU HA H 1 4.844 0.000 . . . . . . . 21 L HA . 52587 1 224 . 1 . 1 24 24 LEU HB2 H 1 2.117 0.000 . . . . . . . 21 L HB2 . 52587 1 225 . 1 . 1 24 24 LEU HB3 H 1 1.784 0.000 . . . . . . . 21 L HB3 . 52587 1 226 . 1 . 1 24 24 LEU HG H 1 1.678 0.000 . . . . . . . 21 L HG . 52587 1 227 . 1 . 1 24 24 LEU HD11 H 1 1.094 0.000 . . . . . . . 21 L HD11 . 52587 1 228 . 1 . 1 24 24 LEU HD12 H 1 1.094 0.000 . . . . . . . 21 L HD12 . 52587 1 229 . 1 . 1 24 24 LEU HD13 H 1 1.094 0.000 . . . . . . . 21 L HD13 . 52587 1 230 . 1 . 1 24 24 LEU HD21 H 1 1.019 0.000 . . . . . . . 21 L HD21 . 52587 1 231 . 1 . 1 24 24 LEU HD22 H 1 1.019 0.000 . . . . . . . 21 L HD22 . 52587 1 232 . 1 . 1 24 24 LEU HD23 H 1 1.019 0.000 . . . . . . . 21 L HD23 . 52587 1 233 . 1 . 1 24 24 LEU C C 13 176.502 0.000 . . . . . . . 21 L C . 52587 1 234 . 1 . 1 24 24 LEU CA C 13 53.646 0.000 . . . . . . . 21 L CA . 52587 1 235 . 1 . 1 24 24 LEU CB C 13 45.326 0.000 . . . . . . . 21 L CB . 52587 1 236 . 1 . 1 24 24 LEU CG C 13 28.100 0.000 . . . . . . . 21 L CG . 52587 1 237 . 1 . 1 24 24 LEU CD1 C 13 23.700 0.000 . . . . . . . 21 L CD1 . 52587 1 238 . 1 . 1 24 24 LEU CD2 C 13 26.400 0.000 . . . . . . . 21 L CD2 . 52587 1 239 . 1 . 1 24 24 LEU N N 15 131.673 0.000 . . . . . . . 21 L N . 52587 1 240 . 1 . 1 25 25 ASP H H 1 8.523 0.000 . . . . . . . 22 D H . 52587 1 241 . 1 . 1 25 25 ASP HA H 1 4.975 0.000 . . . . . . . 22 D HA . 52587 1 242 . 1 . 1 25 25 ASP HB2 H 1 2.734 0.000 . . . . . . . 22 D HB2 . 52587 1 243 . 1 . 1 25 25 ASP HB3 H 1 2.580 0.000 . . . . . . . 22 D HB3 . 52587 1 244 . 1 . 1 25 25 ASP C C 13 176.252 0.000 . . . . . . . 22 D C . 52587 1 245 . 1 . 1 25 25 ASP CA C 13 54.568 0.000 . . . . . . . 22 D CA . 52587 1 246 . 1 . 1 25 25 ASP CB C 13 42.259 0.000 . . . . . . . 22 D CB . 52587 1 247 . 1 . 1 25 25 ASP N N 15 126.588 0.000 . . . . . . . 22 D N . 52587 1 248 . 1 . 1 26 26 HIS H H 1 7.925 0.000 . . . . . . . 23 H H . 52587 1 249 . 1 . 1 26 26 HIS HA H 1 4.963 0.000 . . . . . . . 23 H HA . 52587 1 250 . 1 . 1 26 26 HIS HB2 H 1 3.182 0.000 . . . . . . . 23 H HB2 . 52587 1 251 . 1 . 1 26 26 HIS HB3 H 1 3.000 0.000 . . . . . . . 23 H HB3 . 52587 1 252 . 1 . 1 26 26 HIS HD2 H 1 6.690 0.000 . . . . . . . 23 H HD2 . 52587 1 253 . 1 . 1 26 26 HIS HE1 H 1 7.390 0.000 . . . . . . . 23 H HE1 . 52587 1 254 . 1 . 1 26 26 HIS C C 13 178.457 0.000 . . . . . . . 23 H C . 52587 1 255 . 1 . 1 26 26 HIS CA C 13 54.322 0.000 . . . . . . . 23 H CA . 52587 1 256 . 1 . 1 26 26 HIS CB C 13 27.798 0.000 . . . . . . . 23 H CB . 52587 1 257 . 1 . 1 26 26 HIS N N 15 119.014 0.000 . . . . . . . 23 H N . 52587 1 258 . 1 . 1 27 27 PRO HA H 1 4.841 0.000 . . . . . . . 24 P HA . 52587 1 259 . 1 . 1 27 27 PRO HB2 H 1 1.913 0.000 . . . . . . . 24 P HB2 . 52587 1 260 . 1 . 1 27 27 PRO HB3 H 1 2.512 0.000 . . . . . . . 24 P HB3 . 52587 1 261 . 1 . 1 27 27 PRO HG2 H 1 2.093 0.000 . . . . . . . 24 P HG2 . 52587 1 262 . 1 . 1 27 27 PRO HG3 H 1 2.230 0.000 . . . . . . . 24 P HG3 . 52587 1 263 . 1 . 1 27 27 PRO HD2 H 1 3.721 0.000 . . . . . . . 24 P HD2 . 52587 1 264 . 1 . 1 27 27 PRO HD3 H 1 3.897 0.000 . . . . . . . 24 P HD3 . 52587 1 265 . 1 . 1 27 27 PRO CA C 13 61.701 0.000 . . . . . . . 24 P CA . 52587 1 266 . 1 . 1 27 27 PRO CB C 13 30.260 0.000 . . . . . . . 24 P CB . 52587 1 267 . 1 . 1 27 27 PRO CG C 13 28.070 0.000 . . . . . . . 24 P CG . 52587 1 268 . 1 . 1 27 27 PRO CD C 13 50.500 0.000 . . . . . . . 24 P CD . 52587 1 269 . 1 . 1 28 28 PRO HA H 1 4.445 0.000 . . . . . . . 25 P HA . 52587 1 270 . 1 . 1 28 28 PRO HB2 H 1 1.731 0.000 . . . . . . . 25 P HB2 . 52587 1 271 . 1 . 1 28 28 PRO HB3 H 1 1.859 0.000 . . . . . . . 25 P HB3 . 52587 1 272 . 1 . 1 28 28 PRO HG3 H 1 2.218 0.000 . . . . . . . 25 P HG3 . 52587 1 273 . 1 . 1 28 28 PRO HD2 H 1 3.749 0.000 . . . . . . . 25 P HD2 . 52587 1 274 . 1 . 1 28 28 PRO HD3 H 1 3.919 0.000 . . . . . . . 25 P HD3 . 52587 1 275 . 1 . 1 28 28 PRO C C 13 175.064 0.000 . . . . . . . 25 P C . 52587 1 276 . 1 . 1 28 28 PRO CA C 13 63.189 0.000 . . . . . . . 25 P CA . 52587 1 277 . 1 . 1 28 28 PRO CB C 13 31.752 0.000 . . . . . . . 25 P CB . 52587 1 278 . 1 . 1 28 28 PRO CG C 13 28.070 0.000 . . . . . . . 25 P CG . 52587 1 279 . 1 . 1 28 28 PRO CD C 13 50.540 0.000 . . . . . . . 25 P CD . 52587 1 280 . 1 . 1 29 29 VAL H H 1 7.917 0.000 . . . . . . . 26 V H . 52587 1 281 . 1 . 1 29 29 VAL HA H 1 4.075 0.000 . . . . . . . 26 V HA . 52587 1 282 . 1 . 1 29 29 VAL HB H 1 2.032 0.000 . . . . . . . 26 V HB . 52587 1 283 . 1 . 1 29 29 VAL HG11 H 1 0.894 0.000 . . . . . . . 26 V HG11 . 52587 1 284 . 1 . 1 29 29 VAL HG12 H 1 0.894 0.000 . . . . . . . 26 V HG12 . 52587 1 285 . 1 . 1 29 29 VAL HG13 H 1 0.894 0.000 . . . . . . . 26 V HG13 . 52587 1 286 . 1 . 1 29 29 VAL HG21 H 1 0.932 0.000 . . . . . . . 26 V HG21 . 52587 1 287 . 1 . 1 29 29 VAL HG22 H 1 0.932 0.000 . . . . . . . 26 V HG22 . 52587 1 288 . 1 . 1 29 29 VAL HG23 H 1 0.932 0.000 . . . . . . . 26 V HG23 . 52587 1 289 . 1 . 1 29 29 VAL C C 13 175.730 0.000 . . . . . . . 26 V C . 52587 1 290 . 1 . 1 29 29 VAL CA C 13 62.115 0.000 . . . . . . . 26 V CA . 52587 1 291 . 1 . 1 29 29 VAL CB C 13 33.178 0.000 . . . . . . . 26 V CB . 52587 1 292 . 1 . 1 29 29 VAL CG1 C 13 21.583 0.000 . . . . . . . 26 V CG1 . 52587 1 293 . 1 . 1 29 29 VAL CG2 C 13 21.583 0.000 . . . . . . . 26 V CG2 . 52587 1 294 . 1 . 1 29 29 VAL N N 15 121.927 0.000 . . . . . . . 26 V N . 52587 1 295 . 1 . 1 30 30 PHE H H 1 8.950 0.000 . . . . . . . 27 F H . 52587 1 296 . 1 . 1 30 30 PHE HA H 1 4.798 0.000 . . . . . . . 27 F HA . 52587 1 297 . 1 . 1 30 30 PHE HB2 H 1 3.286 0.000 . . . . . . . 27 F HB2 . 52587 1 298 . 1 . 1 30 30 PHE HB3 H 1 3.113 0.000 . . . . . . . 27 F HB3 . 52587 1 299 . 1 . 1 30 30 PHE HD1 H 1 7.382 0.000 . . . . . . . 27 F HD1 . 52587 1 300 . 1 . 1 30 30 PHE C C 13 175.906 0.000 . . . . . . . 27 F C . 52587 1 301 . 1 . 1 30 30 PHE CA C 13 58.117 0.000 . . . . . . . 27 F CA . 52587 1 302 . 1 . 1 30 30 PHE CB C 13 41.090 0.000 . . . . . . . 27 F CB . 52587 1 303 . 1 . 1 30 30 PHE N N 15 124.890 0.000 . . . . . . . 27 F N . 52587 1 304 . 1 . 1 31 31 ARG H H 1 8.118 0.000 . . . . . . . 28 R H . 52587 1 305 . 1 . 1 31 31 ARG HA H 1 4.680 0.000 . . . . . . . 28 R HA . 52587 1 306 . 1 . 1 31 31 ARG HB2 H 1 2.139 0.000 . . . . . . . 28 R HB2 . 52587 1 307 . 1 . 1 31 31 ARG HB3 H 1 1.755 0.000 . . . . . . . 28 R HB3 . 52587 1 308 . 1 . 1 31 31 ARG HG2 H 1 1.687 0.000 . . . . . . . 28 R HG2 . 52587 1 309 . 1 . 1 31 31 ARG HG3 H 1 1.620 0.000 . . . . . . . 28 R HG3 . 52587 1 310 . 1 . 1 31 31 ARG HD2 H 1 3.254 0.000 . . . . . . . 28 R HD2 . 52587 1 311 . 1 . 1 31 31 ARG HD3 H 1 3.254 0.000 . . . . . . . 28 R HD3 . 52587 1 312 . 1 . 1 31 31 ARG C C 13 172.536 0.000 . . . . . . . 28 R C . 52587 1 313 . 1 . 1 31 31 ARG CA C 13 54.763 0.000 . . . . . . . 28 R CA . 52587 1 314 . 1 . 1 31 31 ARG CB C 13 32.518 0.000 . . . . . . . 28 R CB . 52587 1 315 . 1 . 1 31 31 ARG CG C 13 27.500 0.000 . . . . . . . 28 R CG . 52587 1 316 . 1 . 1 31 31 ARG CD C 13 43.400 0.000 . . . . . . . 28 R CD . 52587 1 317 . 1 . 1 31 31 ARG N N 15 119.728 0.000 . . . . . . . 28 R N . 52587 1 318 . 1 . 1 32 32 VAL H H 1 8.651 0.000 . . . . . . . 29 V H . 52587 1 319 . 1 . 1 32 32 VAL HA H 1 3.843 0.000 . . . . . . . 29 V HA . 52587 1 320 . 1 . 1 32 32 VAL HB H 1 2.123 0.000 . . . . . . . 29 V HB . 52587 1 321 . 1 . 1 32 32 VAL HG11 H 1 0.969 0.000 . . . . . . . 29 V HG11 . 52587 1 322 . 1 . 1 32 32 VAL HG12 H 1 0.969 0.000 . . . . . . . 29 V HG12 . 52587 1 323 . 1 . 1 32 32 VAL HG13 H 1 0.969 0.000 . . . . . . . 29 V HG13 . 52587 1 324 . 1 . 1 32 32 VAL HG21 H 1 1.040 0.000 . . . . . . . 29 V HG21 . 52587 1 325 . 1 . 1 32 32 VAL HG22 H 1 1.040 0.000 . . . . . . . 29 V HG22 . 52587 1 326 . 1 . 1 32 32 VAL HG23 H 1 1.040 0.000 . . . . . . . 29 V HG23 . 52587 1 327 . 1 . 1 32 32 VAL C C 13 173.155 0.000 . . . . . . . 29 V C . 52587 1 328 . 1 . 1 32 32 VAL CA C 13 65.337 0.000 . . . . . . . 29 V CA . 52587 1 329 . 1 . 1 32 32 VAL CB C 13 31.876 0.000 . . . . . . . 29 V CB . 52587 1 330 . 1 . 1 32 32 VAL CG1 C 13 21.084 0.000 . . . . . . . 29 V CG1 . 52587 1 331 . 1 . 1 32 32 VAL CG2 C 13 21.200 0.000 . . . . . . . 29 V CG2 . 52587 1 332 . 1 . 1 32 32 VAL N N 15 122.521 0.000 . . . . . . . 29 V N . 52587 1 333 . 1 . 1 33 33 GLU H H 1 9.631 0.000 . . . . . . . 30 E H . 52587 1 334 . 1 . 1 33 33 GLU HA H 1 4.077 0.000 . . . . . . . 30 E HA . 52587 1 335 . 1 . 1 33 33 GLU HB2 H 1 2.095 0.000 . . . . . . . 30 E HB2 . 52587 1 336 . 1 . 1 33 33 GLU HB3 H 1 2.195 0.000 . . . . . . . 30 E HB3 . 52587 1 337 . 1 . 1 33 33 GLU HG2 H 1 2.288 0.000 . . . . . . . 30 E HG2 . 52587 1 338 . 1 . 1 33 33 GLU HG3 H 1 2.288 0.000 . . . . . . . 30 E HG3 . 52587 1 339 . 1 . 1 33 33 GLU C C 13 173.160 0.000 . . . . . . . 30 E C . 52587 1 340 . 1 . 1 33 33 GLU CA C 13 59.716 0.000 . . . . . . . 30 E CA . 52587 1 341 . 1 . 1 33 33 GLU CB C 13 28.651 0.000 . . . . . . . 30 E CB . 52587 1 342 . 1 . 1 33 33 GLU CG C 13 36.580 0.000 . . . . . . . 30 E CG . 52587 1 343 . 1 . 1 33 33 GLU N N 15 120.388 0.000 . . . . . . . 30 E N . 52587 1 344 . 1 . 1 34 34 GLU H H 1 7.610 0.000 . . . . . . . 31 E H . 52587 1 345 . 1 . 1 34 34 GLU HA H 1 4.332 0.000 . . . . . . . 31 E HA . 52587 1 346 . 1 . 1 34 34 GLU HB2 H 1 2.387 0.000 . . . . . . . 31 E HB2 . 52587 1 347 . 1 . 1 34 34 GLU HB3 H 1 2.298 0.000 . . . . . . . 31 E HB3 . 52587 1 348 . 1 . 1 34 34 GLU HG2 H 1 2.439 0.000 . . . . . . . 31 E HG2 . 52587 1 349 . 1 . 1 34 34 GLU HG3 H 1 2.439 0.000 . . . . . . . 31 E HG3 . 52587 1 350 . 1 . 1 34 34 GLU C C 13 173.252 0.000 . . . . . . . 31 E C . 52587 1 351 . 1 . 1 34 34 GLU CA C 13 57.676 0.000 . . . . . . . 31 E CA . 52587 1 352 . 1 . 1 34 34 GLU CB C 13 30.073 0.000 . . . . . . . 31 E CB . 52587 1 353 . 1 . 1 34 34 GLU CG C 13 37.090 0.000 . . . . . . . 31 E CG . 52587 1 354 . 1 . 1 34 34 GLU N N 15 118.368 0.000 . . . . . . . 31 E N . 52587 1 355 . 1 . 1 35 35 GLY H H 1 7.945 0.000 . . . . . . . 32 G H . 52587 1 356 . 1 . 1 35 35 GLY HA2 H 1 4.016 0.000 . . . . . . . 32 G HA2 . 52587 1 357 . 1 . 1 35 35 GLY HA3 H 1 3.972 0.000 . . . . . . . 32 G HA3 . 52587 1 358 . 1 . 1 35 35 GLY C C 13 175.441 0.000 . . . . . . . 32 G C . 52587 1 359 . 1 . 1 35 35 GLY CA C 13 46.444 0.000 . . . . . . . 32 G CA . 52587 1 360 . 1 . 1 35 35 GLY N N 15 107.155 0.000 . . . . . . . 32 G N . 52587 1 361 . 1 . 1 36 36 LEU H H 1 7.814 0.000 . . . . . . . 33 L H . 52587 1 362 . 1 . 1 36 36 LEU HA H 1 3.986 0.000 . . . . . . . 33 L HA . 52587 1 363 . 1 . 1 36 36 LEU HB2 H 1 1.457 0.000 . . . . . . . 33 L HB2 . 52587 1 364 . 1 . 1 36 36 LEU HB3 H 1 1.840 0.000 . . . . . . . 33 L HB3 . 52587 1 365 . 1 . 1 36 36 LEU HG H 1 1.760 0.000 . . . . . . . 33 L HG . 52587 1 366 . 1 . 1 36 36 LEU HD11 H 1 0.946 0.000 . . . . . . . 33 L HD11 . 52587 1 367 . 1 . 1 36 36 LEU HD12 H 1 0.946 0.000 . . . . . . . 33 L HD12 . 52587 1 368 . 1 . 1 36 36 LEU HD13 H 1 0.946 0.000 . . . . . . . 33 L HD13 . 52587 1 369 . 1 . 1 36 36 LEU HD21 H 1 0.851 0.000 . . . . . . . 33 L HD21 . 52587 1 370 . 1 . 1 36 36 LEU HD22 H 1 0.851 0.000 . . . . . . . 33 L HD22 . 52587 1 371 . 1 . 1 36 36 LEU HD23 H 1 0.851 0.000 . . . . . . . 33 L HD23 . 52587 1 372 . 1 . 1 36 36 LEU C C 13 171.973 0.000 . . . . . . . 33 L C . 52587 1 373 . 1 . 1 36 36 LEU CA C 13 57.785 0.000 . . . . . . . 33 L CA . 52587 1 374 . 1 . 1 36 36 LEU CB C 13 41.171 0.000 . . . . . . . 33 L CB . 52587 1 375 . 1 . 1 36 36 LEU CG C 13 27.000 0.000 . . . . . . . 33 L CG . 52587 1 376 . 1 . 1 36 36 LEU CD1 C 13 25.100 0.000 . . . . . . . 33 L CD1 . 52587 1 377 . 1 . 1 36 36 LEU CD2 C 13 22.900 0.000 . . . . . . . 33 L CD2 . 52587 1 378 . 1 . 1 36 36 LEU N N 15 121.285 0.000 . . . . . . . 33 L N . 52587 1 379 . 1 . 1 37 37 GLU H H 1 8.134 0.000 . . . . . . . 34 E H . 52587 1 380 . 1 . 1 37 37 GLU HA H 1 4.111 0.000 . . . . . . . 34 E HA . 52587 1 381 . 1 . 1 37 37 GLU HB2 H 1 2.083 0.000 . . . . . . . 34 E HB2 . 52587 1 382 . 1 . 1 37 37 GLU HB3 H 1 2.080 0.000 . . . . . . . 34 E HB3 . 52587 1 383 . 1 . 1 37 37 GLU HG2 H 1 2.347 0.000 . . . . . . . 34 E HG2 . 52587 1 384 . 1 . 1 37 37 GLU HG3 H 1 2.221 0.000 . . . . . . . 34 E HG3 . 52587 1 385 . 1 . 1 37 37 GLU C C 13 172.482 0.000 . . . . . . . 34 E C . 52587 1 386 . 1 . 1 37 37 GLU CA C 13 58.819 0.000 . . . . . . . 34 E CA . 52587 1 387 . 1 . 1 37 37 GLU CB C 13 29.150 0.000 . . . . . . . 34 E CB . 52587 1 388 . 1 . 1 37 37 GLU CG C 13 36.510 0.000 . . . . . . . 34 E CG . 52587 1 389 . 1 . 1 37 37 GLU N N 15 119.489 0.000 . . . . . . . 34 E N . 52587 1 390 . 1 . 1 38 38 ILE H H 1 7.310 0.000 . . . . . . . 35 I H . 52587 1 391 . 1 . 1 38 38 ILE HA H 1 3.649 0.000 . . . . . . . 35 I HA . 52587 1 392 . 1 . 1 38 38 ILE HB H 1 1.733 0.000 . . . . . . . 35 I HB . 52587 1 393 . 1 . 1 38 38 ILE HG12 H 1 1.256 0.000 . . . . . . . 35 I HG12 . 52587 1 394 . 1 . 1 38 38 ILE HG13 H 1 0.876 0.000 . . . . . . . 35 I HG13 . 52587 1 395 . 1 . 1 38 38 ILE HG21 H 1 0.755 0.000 . . . . . . . 35 I HG21 . 52587 1 396 . 1 . 1 38 38 ILE HG22 H 1 0.755 0.000 . . . . . . . 35 I HG22 . 52587 1 397 . 1 . 1 38 38 ILE HG23 H 1 0.755 0.000 . . . . . . . 35 I HG23 . 52587 1 398 . 1 . 1 38 38 ILE HD11 H 1 0.336 0.000 . . . . . . . 35 I HD11 . 52587 1 399 . 1 . 1 38 38 ILE HD12 H 1 0.336 0.000 . . . . . . . 35 I HD12 . 52587 1 400 . 1 . 1 38 38 ILE HD13 H 1 0.336 0.000 . . . . . . . 35 I HD13 . 52587 1 401 . 1 . 1 38 38 ILE CA C 13 63.808 0.000 . . . . . . . 35 I CA . 52587 1 402 . 1 . 1 38 38 ILE CB C 13 37.813 0.000 . . . . . . . 35 I CB . 52587 1 403 . 1 . 1 38 38 ILE CG1 C 13 28.600 0.000 . . . . . . . 35 I CG1 . 52587 1 404 . 1 . 1 38 38 ILE CG2 C 13 17.100 0.000 . . . . . . . 35 I CG2 . 52587 1 405 . 1 . 1 38 38 ILE CD1 C 13 12.695 0.000 . . . . . . . 35 I CD1 . 52587 1 406 . 1 . 1 38 38 ILE N N 15 120.954 0.000 . . . . . . . 35 I N . 52587 1 407 . 1 . 1 39 39 LYS H H 1 7.465 0.000 . . . . . . . 36 K H . 52587 1 408 . 1 . 1 39 39 LYS HA H 1 3.389 0.000 . . . . . . . 36 K HA . 52587 1 409 . 1 . 1 39 39 LYS HB2 H 1 1.504 0.000 . . . . . . . 36 K HB2 . 52587 1 410 . 1 . 1 39 39 LYS HB3 H 1 1.588 0.000 . . . . . . . 36 K HB3 . 52587 1 411 . 1 . 1 39 39 LYS HG2 H 1 0.645 0.000 . . . . . . . 36 K HG2 . 52587 1 412 . 1 . 1 39 39 LYS HG3 H 1 1.179 0.000 . . . . . . . 36 K HG3 . 52587 1 413 . 1 . 1 39 39 LYS HD2 H 1 1.496 0.000 . . . . . . . 36 K HD2 . 52587 1 414 . 1 . 1 39 39 LYS HD3 H 1 1.496 0.000 . . . . . . . 36 K HD3 . 52587 1 415 . 1 . 1 39 39 LYS HE2 H 1 2.848 0.000 . . . . . . . 36 K HE2 . 52587 1 416 . 1 . 1 39 39 LYS HE3 H 1 2.848 0.000 . . . . . . . 36 K HE3 . 52587 1 417 . 1 . 1 39 39 LYS CA C 13 58.917 0.000 . . . . . . . 36 K CA . 52587 1 418 . 1 . 1 39 39 LYS CB C 13 32.053 0.000 . . . . . . . 36 K CB . 52587 1 419 . 1 . 1 39 39 LYS CG C 13 25.352 0.000 . . . . . . . 36 K CG . 52587 1 420 . 1 . 1 39 39 LYS CD C 13 29.404 0.000 . . . . . . . 36 K CD . 52587 1 421 . 1 . 1 39 39 LYS CE C 13 41.704 0.000 . . . . . . . 36 K CE . 52587 1 422 . 1 . 1 39 39 LYS N N 15 118.458 0.000 . . . . . . . 36 K N . 52587 1 423 . 1 . 1 40 40 ALA H H 1 7.461 0.000 . . . . . . . 37 A H . 52587 1 424 . 1 . 1 40 40 ALA HA H 1 4.123 0.000 . . . . . . . 37 A HA . 52587 1 425 . 1 . 1 40 40 ALA HB1 H 1 1.434 0.000 . . . . . . . 37 A HB1 . 52587 1 426 . 1 . 1 40 40 ALA HB2 H 1 1.434 0.000 . . . . . . . 37 A HB2 . 52587 1 427 . 1 . 1 40 40 ALA HB3 H 1 1.434 0.000 . . . . . . . 37 A HB3 . 52587 1 428 . 1 . 1 40 40 ALA C C 13 172.898 0.000 . . . . . . . 37 A C . 52587 1 429 . 1 . 1 40 40 ALA CA C 13 53.709 0.000 . . . . . . . 37 A CA . 52587 1 430 . 1 . 1 40 40 ALA CB C 13 18.335 0.000 . . . . . . . 37 A CB . 52587 1 431 . 1 . 1 40 40 ALA N N 15 118.412 0.000 . . . . . . . 37 A N . 52587 1 432 . 1 . 1 41 41 ALA H H 1 7.339 0.000 . . . . . . . 38 A H . 52587 1 433 . 1 . 1 41 41 ALA HA H 1 4.383 0.000 . . . . . . . 38 A HA . 52587 1 434 . 1 . 1 41 41 ALA HB1 H 1 1.518 0.000 . . . . . . . 38 A HB1 . 52587 1 435 . 1 . 1 41 41 ALA HB2 H 1 1.518 0.000 . . . . . . . 38 A HB2 . 52587 1 436 . 1 . 1 41 41 ALA HB3 H 1 1.518 0.000 . . . . . . . 38 A HB3 . 52587 1 437 . 1 . 1 41 41 ALA C C 13 174.054 0.000 . . . . . . . 38 A C . 52587 1 438 . 1 . 1 41 41 ALA CA C 13 52.645 0.000 . . . . . . . 38 A CA . 52587 1 439 . 1 . 1 41 41 ALA CB C 13 20.236 0.000 . . . . . . . 38 A CB . 52587 1 440 . 1 . 1 41 41 ALA N N 15 118.804 0.000 . . . . . . . 38 A N . 52587 1 441 . 1 . 1 42 42 MET H H 1 7.558 0.000 . . . . . . . 39 M H . 52587 1 442 . 1 . 1 42 42 MET HA H 1 5.087 0.000 . . . . . . . 39 M HA . 52587 1 443 . 1 . 1 42 42 MET HB2 H 1 2.083 0.000 . . . . . . . 39 M HB2 . 52587 1 444 . 1 . 1 42 42 MET HB3 H 1 2.330 0.000 . . . . . . . 39 M HB3 . 52587 1 445 . 1 . 1 42 42 MET HG2 H 1 2.491 0.000 . . . . . . . 39 M HG2 . 52587 1 446 . 1 . 1 42 42 MET HG3 H 1 2.491 0.000 . . . . . . . 39 M HG3 . 52587 1 447 . 1 . 1 42 42 MET HE1 H 1 2.193 0.000 . . . . . . . 39 M HE1 . 52587 1 448 . 1 . 1 42 42 MET HE2 H 1 2.193 0.000 . . . . . . . 39 M HE2 . 52587 1 449 . 1 . 1 42 42 MET HE3 H 1 2.193 0.000 . . . . . . . 39 M HE3 . 52587 1 450 . 1 . 1 42 42 MET CA C 13 52.674 0.000 . . . . . . . 39 M CA . 52587 1 451 . 1 . 1 42 42 MET CB C 13 33.541 0.000 . . . . . . . 39 M CB . 52587 1 452 . 1 . 1 42 42 MET CG C 13 33.269 0.000 . . . . . . . 39 M CG . 52587 1 453 . 1 . 1 42 42 MET CE C 13 18.231 0.000 . . . . . . . 39 M CE . 52587 1 454 . 1 . 1 42 42 MET N N 15 118.004 0.000 . . . . . . . 39 M N . 52587 1 455 . 1 . 1 43 43 PRO HA H 1 4.666 0.000 . . . . . . . 40 P HA . 52587 1 456 . 1 . 1 43 43 PRO HB2 H 1 2.450 0.000 . . . . . . . 40 P HB2 . 52587 1 457 . 1 . 1 43 43 PRO HB3 H 1 1.936 0.000 . . . . . . . 40 P HB3 . 52587 1 458 . 1 . 1 43 43 PRO HG2 H 1 1.854 0.000 . . . . . . . 40 P HG2 . 52587 1 459 . 1 . 1 43 43 PRO HG3 H 1 2.001 0.000 . . . . . . . 40 P HG3 . 52587 1 460 . 1 . 1 43 43 PRO HD2 H 1 3.737 0.000 . . . . . . . 40 P HD2 . 52587 1 461 . 1 . 1 43 43 PRO HD3 H 1 3.776 0.000 . . . . . . . 40 P HD3 . 52587 1 462 . 1 . 1 43 43 PRO C C 13 174.888 0.000 . . . . . . . 40 P C . 52587 1 463 . 1 . 1 43 43 PRO CA C 13 62.598 0.000 . . . . . . . 40 P CA . 52587 1 464 . 1 . 1 43 43 PRO CB C 13 33.370 0.000 . . . . . . . 40 P CB . 52587 1 465 . 1 . 1 43 43 PRO CG C 13 27.130 0.000 . . . . . . . 40 P CG . 52587 1 466 . 1 . 1 43 43 PRO CD C 13 50.893 0.000 . . . . . . . 40 P CD . 52587 1 467 . 1 . 1 44 44 GLY H H 1 8.552 0.000 . . . . . . . 41 G H . 52587 1 468 . 1 . 1 44 44 GLY HA2 H 1 4.209 0.000 . . . . . . . 41 G HA2 . 52587 1 469 . 1 . 1 44 44 GLY HA3 H 1 3.743 0.000 . . . . . . . 41 G HA3 . 52587 1 470 . 1 . 1 44 44 GLY C C 13 176.490 0.000 . . . . . . . 41 G C . 52587 1 471 . 1 . 1 44 44 GLY CA C 13 43.737 0.000 . . . . . . . 41 G CA . 52587 1 472 . 1 . 1 44 44 GLY N N 15 106.792 0.000 . . . . . . . 41 G N . 52587 1 473 . 1 . 1 45 45 GLY H H 1 8.683 0.000 . . . . . . . 42 G H . 52587 1 474 . 1 . 1 45 45 GLY HA2 H 1 4.241 0.000 . . . . . . . 42 G HA2 . 52587 1 475 . 1 . 1 45 45 GLY HA3 H 1 3.156 0.000 . . . . . . . 42 G HA3 . 52587 1 476 . 1 . 1 45 45 GLY C C 13 178.440 0.000 . . . . . . . 42 G C . 52587 1 477 . 1 . 1 45 45 GLY CA C 13 46.689 0.000 . . . . . . . 42 G CA . 52587 1 478 . 1 . 1 45 45 GLY N N 15 105.517 0.000 . . . . . . . 42 G N . 52587 1 479 . 1 . 1 46 46 HIS H H 1 9.148 0.000 . . . . . . . 43 H H . 52587 1 480 . 1 . 1 46 46 HIS HA H 1 4.705 0.000 . . . . . . . 43 H HA . 52587 1 481 . 1 . 1 46 46 HIS HB2 H 1 3.135 0.000 . . . . . . . 43 H HB2 . 52587 1 482 . 1 . 1 46 46 HIS HB3 H 1 2.996 0.000 . . . . . . . 43 H HB3 . 52587 1 483 . 1 . 1 46 46 HIS HD2 H 1 7.180 0.000 . . . . . . . 43 H HD2 . 52587 1 484 . 1 . 1 46 46 HIS C C 13 173.905 0.000 . . . . . . . 43 H C . 52587 1 485 . 1 . 1 46 46 HIS CA C 13 57.331 0.000 . . . . . . . 43 H CA . 52587 1 486 . 1 . 1 46 46 HIS CB C 13 32.321 0.000 . . . . . . . 43 H CB . 52587 1 487 . 1 . 1 46 46 HIS N N 15 129.053 0.000 . . . . . . . 43 H N . 52587 1 488 . 1 . 1 47 47 THR H H 1 8.208 0.000 . . . . . . . 44 T H . 52587 1 489 . 1 . 1 47 47 THR HA H 1 5.192 0.000 . . . . . . . 44 T HA . 52587 1 490 . 1 . 1 47 47 THR HB H 1 4.069 0.000 . . . . . . . 44 T HB . 52587 1 491 . 1 . 1 47 47 THR HG21 H 1 0.602 0.000 . . . . . . . 44 T HG21 . 52587 1 492 . 1 . 1 47 47 THR HG22 H 1 0.602 0.000 . . . . . . . 44 T HG22 . 52587 1 493 . 1 . 1 47 47 THR HG23 H 1 0.602 0.000 . . . . . . . 44 T HG23 . 52587 1 494 . 1 . 1 47 47 THR CA C 13 61.362 0.000 . . . . . . . 44 T CA . 52587 1 495 . 1 . 1 47 47 THR CB C 13 72.683 0.000 . . . . . . . 44 T CB . 52587 1 496 . 1 . 1 47 47 THR CG2 C 13 22.580 0.000 . . . . . . . 44 T CG2 . 52587 1 497 . 1 . 1 47 47 THR N N 15 109.702 0.000 . . . . . . . 44 T N . 52587 1 498 . 1 . 1 48 48 LYS H H 1 9.140 0.000 . . . . . . . 45 K H . 52587 1 499 . 1 . 1 48 48 LYS HA H 1 4.864 0.000 . . . . . . . 45 K HA . 52587 1 500 . 1 . 1 48 48 LYS HB2 H 1 1.757 0.000 . . . . . . . 45 K HB2 . 52587 1 501 . 1 . 1 48 48 LYS HG2 H 1 1.094 0.000 . . . . . . . 45 K HG2 . 52587 1 502 . 1 . 1 48 48 LYS HD2 H 1 1.716 0.000 . . . . . . . 45 K HD2 . 52587 1 503 . 1 . 1 48 48 LYS HD3 H 1 1.810 0.000 . . . . . . . 45 K HD3 . 52587 1 504 . 1 . 1 48 48 LYS HE2 H 1 2.742 0.000 . . . . . . . 45 K HE2 . 52587 1 505 . 1 . 1 48 48 LYS HE3 H 1 3.265 0.000 . . . . . . . 45 K HE3 . 52587 1 506 . 1 . 1 48 48 LYS C C 13 177.120 0.000 . . . . . . . 45 K C . 52587 1 507 . 1 . 1 48 48 LYS CA C 13 54.734 0.000 . . . . . . . 45 K CA . 52587 1 508 . 1 . 1 48 48 LYS CB C 13 35.653 0.000 . . . . . . . 45 K CB . 52587 1 509 . 1 . 1 48 48 LYS CG C 13 22.880 0.000 . . . . . . . 45 K CG . 52587 1 510 . 1 . 1 48 48 LYS CD C 13 30.261 0.000 . . . . . . . 45 K CD . 52587 1 511 . 1 . 1 48 48 LYS CE C 13 42.314 0.000 . . . . . . . 45 K CE . 52587 1 512 . 1 . 1 48 48 LYS N N 15 118.858 0.000 . . . . . . . 45 K N . 52587 1 513 . 1 . 1 49 49 ASN H H 1 8.307 0.000 . . . . . . . 46 N H . 52587 1 514 . 1 . 1 49 49 ASN HA H 1 6.215 0.000 . . . . . . . 46 N HA . 52587 1 515 . 1 . 1 49 49 ASN HB2 H 1 2.625 0.000 . . . . . . . 46 N HB2 . 52587 1 516 . 1 . 1 49 49 ASN HB3 H 1 2.160 0.000 . . . . . . . 46 N HB3 . 52587 1 517 . 1 . 1 49 49 ASN HD21 H 1 7.536 0.000 . . . . . . . 46 N HD21 . 52587 1 518 . 1 . 1 49 49 ASN HD22 H 1 6.592 0.000 . . . . . . . 46 N HD22 . 52587 1 519 . 1 . 1 49 49 ASN C C 13 178.638 0.000 . . . . . . . 46 N C . 52587 1 520 . 1 . 1 49 49 ASN CA C 13 52.626 0.000 . . . . . . . 46 N CA . 52587 1 521 . 1 . 1 49 49 ASN CB C 13 43.003 0.000 . . . . . . . 46 N CB . 52587 1 522 . 1 . 1 49 49 ASN N N 15 120.301 0.000 . . . . . . . 46 N N . 52587 1 523 . 1 . 1 49 49 ASN ND2 N 15 114.015 0.000 . . . . . . . 46 N ND2 . 52587 1 524 . 1 . 1 50 50 LEU H H 1 9.689 0.000 . . . . . . . 47 L H . 52587 1 525 . 1 . 1 50 50 LEU HA H 1 4.940 0.000 . . . . . . . 47 L HA . 52587 1 526 . 1 . 1 50 50 LEU HB2 H 1 1.507 0.000 . . . . . . . 47 L HB2 . 52587 1 527 . 1 . 1 50 50 LEU HB3 H 1 1.790 0.000 . . . . . . . 47 L HB3 . 52587 1 528 . 1 . 1 50 50 LEU HG H 1 1.761 0.000 . . . . . . . 47 L HG . 52587 1 529 . 1 . 1 50 50 LEU HD11 H 1 0.836 0.000 . . . . . . . 47 L HD11 . 52587 1 530 . 1 . 1 50 50 LEU HD12 H 1 0.836 0.000 . . . . . . . 47 L HD12 . 52587 1 531 . 1 . 1 50 50 LEU HD13 H 1 0.836 0.000 . . . . . . . 47 L HD13 . 52587 1 532 . 1 . 1 50 50 LEU HD21 H 1 0.979 0.000 . . . . . . . 47 L HD21 . 52587 1 533 . 1 . 1 50 50 LEU HD22 H 1 0.979 0.000 . . . . . . . 47 L HD22 . 52587 1 534 . 1 . 1 50 50 LEU HD23 H 1 0.979 0.000 . . . . . . . 47 L HD23 . 52587 1 535 . 1 . 1 50 50 LEU C C 13 177.287 0.000 . . . . . . . 47 L C . 52587 1 536 . 1 . 1 50 50 LEU CA C 13 54.281 0.000 . . . . . . . 47 L CA . 52587 1 537 . 1 . 1 50 50 LEU CB C 13 44.573 0.000 . . . . . . . 47 L CB . 52587 1 538 . 1 . 1 50 50 LEU CG C 13 28.300 0.000 . . . . . . . 47 L CG . 52587 1 539 . 1 . 1 50 50 LEU CD1 C 13 24.959 0.000 . . . . . . . 47 L CD1 . 52587 1 540 . 1 . 1 50 50 LEU CD2 C 13 25.100 0.000 . . . . . . . 47 L CD2 . 52587 1 541 . 1 . 1 50 50 LEU N N 15 124.068 0.000 . . . . . . . 47 L N . 52587 1 542 . 1 . 1 51 51 PHE H H 1 9.408 0.000 . . . . . . . 48 F H . 52587 1 543 . 1 . 1 51 51 PHE HA H 1 5.495 0.000 . . . . . . . 48 F HA . 52587 1 544 . 1 . 1 51 51 PHE HB2 H 1 3.346 0.000 . . . . . . . 48 F HB2 . 52587 1 545 . 1 . 1 51 51 PHE HB3 H 1 2.774 0.000 . . . . . . . 48 F HB3 . 52587 1 546 . 1 . 1 51 51 PHE HD1 H 1 7.132 0.000 . . . . . . . 48 F HD1 . 52587 1 547 . 1 . 1 51 51 PHE HD2 H 1 7.130 0.000 . . . . . . . 48 F HD2 . 52587 1 548 . 1 . 1 51 51 PHE C C 13 177.111 0.000 . . . . . . . 48 F C . 52587 1 549 . 1 . 1 51 51 PHE CA C 13 56.951 0.000 . . . . . . . 48 F CA . 52587 1 550 . 1 . 1 51 51 PHE CB C 13 41.094 0.000 . . . . . . . 48 F CB . 52587 1 551 . 1 . 1 51 51 PHE N N 15 125.364 0.000 . . . . . . . 48 F N . 52587 1 552 . 1 . 1 52 52 LEU H H 1 9.401 0.000 . . . . . . . 49 L H . 52587 1 553 . 1 . 1 52 52 LEU HA H 1 5.091 0.000 . . . . . . . 49 L HA . 52587 1 554 . 1 . 1 52 52 LEU HB2 H 1 1.392 0.000 . . . . . . . 49 L HB2 . 52587 1 555 . 1 . 1 52 52 LEU HB3 H 1 1.616 0.000 . . . . . . . 49 L HB3 . 52587 1 556 . 1 . 1 52 52 LEU HG H 1 1.460 0.000 . . . . . . . 49 L HG . 52587 1 557 . 1 . 1 52 52 LEU HD11 H 1 0.652 0.000 . . . . . . . 49 L HD11 . 52587 1 558 . 1 . 1 52 52 LEU HD12 H 1 0.652 0.000 . . . . . . . 49 L HD12 . 52587 1 559 . 1 . 1 52 52 LEU HD13 H 1 0.652 0.000 . . . . . . . 49 L HD13 . 52587 1 560 . 1 . 1 52 52 LEU HD21 H 1 0.432 0.000 . . . . . . . 49 L HD21 . 52587 1 561 . 1 . 1 52 52 LEU HD22 H 1 0.432 0.000 . . . . . . . 49 L HD22 . 52587 1 562 . 1 . 1 52 52 LEU HD23 H 1 0.432 0.000 . . . . . . . 49 L HD23 . 52587 1 563 . 1 . 1 52 52 LEU C C 13 177.622 0.000 . . . . . . . 49 L C . 52587 1 564 . 1 . 1 52 52 LEU CA C 13 53.237 0.000 . . . . . . . 49 L CA . 52587 1 565 . 1 . 1 52 52 LEU CB C 13 45.779 0.000 . . . . . . . 49 L CB . 52587 1 566 . 1 . 1 52 52 LEU CG C 13 27.000 0.000 . . . . . . . 49 L CG . 52587 1 567 . 1 . 1 52 52 LEU CD1 C 13 27.692 0.000 . . . . . . . 49 L CD1 . 52587 1 568 . 1 . 1 52 52 LEU CD2 C 13 23.710 0.000 . . . . . . . 49 L CD2 . 52587 1 569 . 1 . 1 52 52 LEU N N 15 128.999 0.000 . . . . . . . 49 L N . 52587 1 570 . 1 . 1 53 53 LYS H H 1 8.661 0.000 . . . . . . . 50 K H . 52587 1 571 . 1 . 1 53 53 LYS HA H 1 5.218 0.000 . . . . . . . 50 K HA . 52587 1 572 . 1 . 1 53 53 LYS HB2 H 1 1.709 0.000 . . . . . . . 50 K HB2 . 52587 1 573 . 1 . 1 53 53 LYS HB3 H 1 1.290 0.000 . . . . . . . 50 K HB3 . 52587 1 574 . 1 . 1 53 53 LYS HG2 H 1 1.562 0.000 . . . . . . . 50 K HG2 . 52587 1 575 . 1 . 1 53 53 LYS HG3 H 1 1.124 0.000 . . . . . . . 50 K HG3 . 52587 1 576 . 1 . 1 53 53 LYS HD2 H 1 1.562 0.000 . . . . . . . 50 K HD2 . 52587 1 577 . 1 . 1 53 53 LYS HD3 H 1 1.658 0.000 . . . . . . . 50 K HD3 . 52587 1 578 . 1 . 1 53 53 LYS HE2 H 1 2.995 0.000 . . . . . . . 50 K HE2 . 52587 1 579 . 1 . 1 53 53 LYS C C 13 175.832 0.000 . . . . . . . 50 K C . 52587 1 580 . 1 . 1 53 53 LYS CA C 13 54.413 0.000 . . . . . . . 50 K CA . 52587 1 581 . 1 . 1 53 53 LYS CB C 13 37.055 0.000 . . . . . . . 50 K CB . 52587 1 582 . 1 . 1 53 53 LYS CG C 13 23.700 0.000 . . . . . . . 50 K CG . 52587 1 583 . 1 . 1 53 53 LYS CD C 13 29.700 0.000 . . . . . . . 50 K CD . 52587 1 584 . 1 . 1 53 53 LYS CE C 13 41.500 0.000 . . . . . . . 50 K CE . 52587 1 585 . 1 . 1 53 53 LYS N N 15 119.509 0.000 . . . . . . . 50 K N . 52587 1 586 . 1 . 1 54 54 ASP H H 1 9.105 0.000 . . . . . . . 51 D H . 52587 1 587 . 1 . 1 54 54 ASP HA H 1 5.573 0.000 . . . . . . . 51 D HA . 52587 1 588 . 1 . 1 54 54 ASP HB2 H 1 3.027 0.000 . . . . . . . 51 D HB2 . 52587 1 589 . 1 . 1 54 54 ASP HB3 H 1 2.628 0.000 . . . . . . . 51 D HB3 . 52587 1 590 . 1 . 1 54 54 ASP C C 13 171.713 0.000 . . . . . . . 51 D C . 52587 1 591 . 1 . 1 54 54 ASP CA C 13 51.338 0.000 . . . . . . . 51 D CA . 52587 1 592 . 1 . 1 54 54 ASP CB C 13 43.897 0.000 . . . . . . . 51 D CB . 52587 1 593 . 1 . 1 54 54 ASP N N 15 126.192 0.000 . . . . . . . 51 D N . 52587 1 594 . 1 . 1 55 55 ALA H H 1 7.676 0.000 . . . . . . . 52 A H . 52587 1 595 . 1 . 1 55 55 ALA HA H 1 4.190 0.000 . . . . . . . 52 A HA . 52587 1 596 . 1 . 1 55 55 ALA HB1 H 1 1.530 0.000 . . . . . . . 52 A HB1 . 52587 1 597 . 1 . 1 55 55 ALA HB2 H 1 1.530 0.000 . . . . . . . 52 A HB2 . 52587 1 598 . 1 . 1 55 55 ALA HB3 H 1 1.530 0.000 . . . . . . . 52 A HB3 . 52587 1 599 . 1 . 1 55 55 ALA CA C 13 54.173 0.000 . . . . . . . 52 A CA . 52587 1 600 . 1 . 1 55 55 ALA CB C 13 19.449 0.000 . . . . . . . 52 A CB . 52587 1 601 . 1 . 1 55 55 ALA N N 15 118.583 0.000 . . . . . . . 52 A N . 52587 1 602 . 1 . 1 56 56 LYS H H 1 8.226 0.000 . . . . . . . 53 K H . 52587 1 603 . 1 . 1 56 56 LYS HA H 1 4.508 0.000 . . . . . . . 53 K HA . 52587 1 604 . 1 . 1 56 56 LYS HB2 H 1 2.149 0.000 . . . . . . . 53 K HB2 . 52587 1 605 . 1 . 1 56 56 LYS HB3 H 1 2.043 0.000 . . . . . . . 53 K HB3 . 52587 1 606 . 1 . 1 56 56 LYS HG2 H 1 1.386 0.000 . . . . . . . 53 K HG2 . 52587 1 607 . 1 . 1 56 56 LYS HD2 H 1 1.687 0.000 . . . . . . . 53 K HD2 . 52587 1 608 . 1 . 1 56 56 LYS HE3 H 1 2.955 0.000 . . . . . . . 53 K HE3 . 52587 1 609 . 1 . 1 56 56 LYS C C 13 174.491 0.000 . . . . . . . 53 K C . 52587 1 610 . 1 . 1 56 56 LYS CA C 13 55.738 0.000 . . . . . . . 53 K CA . 52587 1 611 . 1 . 1 56 56 LYS CB C 13 32.467 0.000 . . . . . . . 53 K CB . 52587 1 612 . 1 . 1 56 56 LYS CG C 13 25.469 0.000 . . . . . . . 53 K CG . 52587 1 613 . 1 . 1 56 56 LYS CD C 13 29.106 0.000 . . . . . . . 53 K CD . 52587 1 614 . 1 . 1 56 56 LYS CE C 13 42.230 0.000 . . . . . . . 53 K CE . 52587 1 615 . 1 . 1 56 56 LYS N N 15 116.427 0.000 . . . . . . . 53 K N . 52587 1 616 . 1 . 1 57 57 GLY H H 1 8.148 0.000 . . . . . . . 54 G H . 52587 1 617 . 1 . 1 57 57 GLY HA2 H 1 4.400 0.000 . . . . . . . 54 G HA2 . 52587 1 618 . 1 . 1 57 57 GLY HA3 H 1 3.467 0.000 . . . . . . . 54 G HA3 . 52587 1 619 . 1 . 1 57 57 GLY C C 13 178.061 0.000 . . . . . . . 54 G C . 52587 1 620 . 1 . 1 57 57 GLY CA C 13 45.105 0.000 . . . . . . . 54 G CA . 52587 1 621 . 1 . 1 57 57 GLY N N 15 108.594 0.000 . . . . . . . 54 G N . 52587 1 622 . 1 . 1 58 58 GLN H H 1 8.268 0.000 . . . . . . . 55 Q H . 52587 1 623 . 1 . 1 58 58 GLN HA H 1 4.246 0.000 . . . . . . . 55 Q HA . 52587 1 624 . 1 . 1 58 58 GLN HB2 H 1 2.440 0.000 . . . . . . . 55 Q HB2 . 52587 1 625 . 1 . 1 58 58 GLN HB3 H 1 2.080 0.000 . . . . . . . 55 Q HB3 . 52587 1 626 . 1 . 1 58 58 GLN HG2 H 1 1.312 0.000 . . . . . . . 55 Q HG2 . 52587 1 627 . 1 . 1 58 58 GLN HG3 H 1 1.834 0.000 . . . . . . . 55 Q HG3 . 52587 1 628 . 1 . 1 58 58 GLN HE21 H 1 6.955 0.000 . . . . . . . 55 Q HE21 . 52587 1 629 . 1 . 1 58 58 GLN HE22 H 1 8.220 0.000 . . . . . . . 55 Q HE22 . 52587 1 630 . 1 . 1 58 58 GLN C C 13 175.981 0.000 . . . . . . . 55 Q C . 52587 1 631 . 1 . 1 58 58 GLN CA C 13 54.892 0.000 . . . . . . . 55 Q CA . 52587 1 632 . 1 . 1 58 58 GLN CB C 13 29.614 0.000 . . . . . . . 55 Q CB . 52587 1 633 . 1 . 1 58 58 GLN CG C 13 33.065 0.000 . . . . . . . 55 Q CG . 52587 1 634 . 1 . 1 58 58 GLN N N 15 122.913 0.000 . . . . . . . 55 Q N . 52587 1 635 . 1 . 1 58 58 GLN NE2 N 15 120.710 0.000 . . . . . . . 55 Q NE2 . 52587 1 636 . 1 . 1 59 59 LEU H H 1 8.112 0.000 . . . . . . . 56 L H . 52587 1 637 . 1 . 1 59 59 LEU HA H 1 5.199 0.000 . . . . . . . 56 L HA . 52587 1 638 . 1 . 1 59 59 LEU HB2 H 1 1.183 0.000 . . . . . . . 56 L HB2 . 52587 1 639 . 1 . 1 59 59 LEU HB3 H 1 2.134 0.000 . . . . . . . 56 L HB3 . 52587 1 640 . 1 . 1 59 59 LEU HG H 1 1.920 0.000 . . . . . . . 56 L HG . 52587 1 641 . 1 . 1 59 59 LEU HD11 H 1 1.007 0.000 . . . . . . . 56 L HD11 . 52587 1 642 . 1 . 1 59 59 LEU HD12 H 1 1.007 0.000 . . . . . . . 56 L HD12 . 52587 1 643 . 1 . 1 59 59 LEU HD13 H 1 1.007 0.000 . . . . . . . 56 L HD13 . 52587 1 644 . 1 . 1 59 59 LEU HD21 H 1 0.742 0.000 . . . . . . . 56 L HD21 . 52587 1 645 . 1 . 1 59 59 LEU HD22 H 1 0.742 0.000 . . . . . . . 56 L HD22 . 52587 1 646 . 1 . 1 59 59 LEU HD23 H 1 0.742 0.000 . . . . . . . 56 L HD23 . 52587 1 647 . 1 . 1 59 59 LEU C C 13 174.461 0.000 . . . . . . . 56 L C . 52587 1 648 . 1 . 1 59 59 LEU CA C 13 53.915 0.000 . . . . . . . 56 L CA . 52587 1 649 . 1 . 1 59 59 LEU CB C 13 43.017 0.000 . . . . . . . 56 L CB . 52587 1 650 . 1 . 1 59 59 LEU CG C 13 26.400 0.000 . . . . . . . 56 L CG . 52587 1 651 . 1 . 1 59 59 LEU CD1 C 13 26.700 0.000 . . . . . . . 56 L CD1 . 52587 1 652 . 1 . 1 59 59 LEU CD2 C 13 21.800 0.000 . . . . . . . 56 L CD2 . 52587 1 653 . 1 . 1 59 59 LEU N N 15 125.680 0.000 . . . . . . . 56 L N . 52587 1 654 . 1 . 1 60 60 TRP H H 1 8.969 0.000 . . . . . . . 57 W H . 52587 1 655 . 1 . 1 60 60 TRP HA H 1 5.369 0.000 . . . . . . . 57 W HA . 52587 1 656 . 1 . 1 60 60 TRP HB2 H 1 3.001 0.000 . . . . . . . 57 W HB2 . 52587 1 657 . 1 . 1 60 60 TRP HB3 H 1 2.661 0.000 . . . . . . . 57 W HB3 . 52587 1 658 . 1 . 1 60 60 TRP C C 13 177.848 0.000 . . . . . . . 57 W C . 52587 1 659 . 1 . 1 60 60 TRP CA C 13 56.061 0.000 . . . . . . . 57 W CA . 52587 1 660 . 1 . 1 60 60 TRP CB C 13 33.291 0.000 . . . . . . . 57 W CB . 52587 1 661 . 1 . 1 60 60 TRP N N 15 122.029 0.000 . . . . . . . 57 W N . 52587 1 662 . 1 . 1 61 61 LEU H H 1 9.273 0.000 . . . . . . . 58 L H . 52587 1 663 . 1 . 1 61 61 LEU HA H 1 5.742 0.000 . . . . . . . 58 L HA . 52587 1 664 . 1 . 1 61 61 LEU HB2 H 1 2.131 0.000 . . . . . . . 58 L HB2 . 52587 1 665 . 1 . 1 61 61 LEU HB3 H 1 1.442 0.000 . . . . . . . 58 L HB3 . 52587 1 666 . 1 . 1 61 61 LEU HG H 1 1.797 0.000 . . . . . . . 58 L HG . 52587 1 667 . 1 . 1 61 61 LEU HD11 H 1 0.852 0.000 . . . . . . . 58 L HD11 . 52587 1 668 . 1 . 1 61 61 LEU HD12 H 1 0.852 0.000 . . . . . . . 58 L HD12 . 52587 1 669 . 1 . 1 61 61 LEU HD13 H 1 0.852 0.000 . . . . . . . 58 L HD13 . 52587 1 670 . 1 . 1 61 61 LEU HD21 H 1 0.870 0.000 . . . . . . . 58 L HD21 . 52587 1 671 . 1 . 1 61 61 LEU HD22 H 1 0.870 0.000 . . . . . . . 58 L HD22 . 52587 1 672 . 1 . 1 61 61 LEU HD23 H 1 0.870 0.000 . . . . . . . 58 L HD23 . 52587 1 673 . 1 . 1 61 61 LEU C C 13 177.320 0.000 . . . . . . . 58 L C . 52587 1 674 . 1 . 1 61 61 LEU CA C 13 52.997 0.000 . . . . . . . 58 L CA . 52587 1 675 . 1 . 1 61 61 LEU CB C 13 46.463 0.000 . . . . . . . 58 L CB . 52587 1 676 . 1 . 1 61 61 LEU CG C 13 26.981 0.000 . . . . . . . 58 L CG . 52587 1 677 . 1 . 1 61 61 LEU CD1 C 13 23.390 0.000 . . . . . . . 58 L CD1 . 52587 1 678 . 1 . 1 61 61 LEU CD2 C 13 27.300 0.000 . . . . . . . 58 L CD2 . 52587 1 679 . 1 . 1 61 61 LEU N N 15 123.675 0.000 . . . . . . . 58 L N . 52587 1 680 . 1 . 1 62 62 ILE H H 1 9.301 0.000 . . . . . . . 59 I H . 52587 1 681 . 1 . 1 62 62 ILE HA H 1 5.276 0.000 . . . . . . . 59 I HA . 52587 1 682 . 1 . 1 62 62 ILE HB H 1 1.957 0.000 . . . . . . . 59 I HB . 52587 1 683 . 1 . 1 62 62 ILE HG12 H 1 1.548 0.000 . . . . . . . 59 I HG12 . 52587 1 684 . 1 . 1 62 62 ILE HG13 H 1 1.196 0.000 . . . . . . . 59 I HG13 . 52587 1 685 . 1 . 1 62 62 ILE HG21 H 1 0.808 0.000 . . . . . . . 59 I HG21 . 52587 1 686 . 1 . 1 62 62 ILE HG22 H 1 0.808 0.000 . . . . . . . 59 I HG22 . 52587 1 687 . 1 . 1 62 62 ILE HG23 H 1 0.808 0.000 . . . . . . . 59 I HG23 . 52587 1 688 . 1 . 1 62 62 ILE HD11 H 1 0.768 0.000 . . . . . . . 59 I HD11 . 52587 1 689 . 1 . 1 62 62 ILE HD12 H 1 0.768 0.000 . . . . . . . 59 I HD12 . 52587 1 690 . 1 . 1 62 62 ILE HD13 H 1 0.768 0.000 . . . . . . . 59 I HD13 . 52587 1 691 . 1 . 1 62 62 ILE CA C 13 59.137 0.000 . . . . . . . 59 I CA . 52587 1 692 . 1 . 1 62 62 ILE CB C 13 39.874 0.000 . . . . . . . 59 I CB . 52587 1 693 . 1 . 1 62 62 ILE CG1 C 13 27.300 0.000 . . . . . . . 59 I CG1 . 52587 1 694 . 1 . 1 62 62 ILE CG2 C 13 17.613 0.000 . . . . . . . 59 I CG2 . 52587 1 695 . 1 . 1 62 62 ILE CD1 C 13 14.472 0.000 . . . . . . . 59 I CD1 . 52587 1 696 . 1 . 1 62 62 ILE N N 15 125.401 0.000 . . . . . . . 59 I N . 52587 1 697 . 1 . 1 63 63 SER H H 1 8.810 0.000 . . . . . . . 60 S H . 52587 1 698 . 1 . 1 63 63 SER HA H 1 5.473 0.000 . . . . . . . 60 S HA . 52587 1 699 . 1 . 1 63 63 SER HB2 H 1 4.106 0.000 . . . . . . . 60 S HB2 . 52587 1 700 . 1 . 1 63 63 SER HB3 H 1 3.924 0.000 . . . . . . . 60 S HB3 . 52587 1 701 . 1 . 1 63 63 SER C C 13 179.290 0.000 . . . . . . . 60 S C . 52587 1 702 . 1 . 1 63 63 SER CA C 13 59.296 0.000 . . . . . . . 60 S CA . 52587 1 703 . 1 . 1 63 63 SER CB C 13 64.976 0.000 . . . . . . . 60 S CB . 52587 1 704 . 1 . 1 63 63 SER N N 15 124.057 0.000 . . . . . . . 60 S N . 52587 1 705 . 1 . 1 64 64 ALA H H 1 9.087 0.000 . . . . . . . 61 A H . 52587 1 706 . 1 . 1 64 64 ALA HA H 1 5.245 0.000 . . . . . . . 61 A HA . 52587 1 707 . 1 . 1 64 64 ALA HB1 H 1 1.194 0.000 . . . . . . . 61 A HB1 . 52587 1 708 . 1 . 1 64 64 ALA HB2 H 1 1.194 0.000 . . . . . . . 61 A HB2 . 52587 1 709 . 1 . 1 64 64 ALA HB3 H 1 1.194 0.000 . . . . . . . 61 A HB3 . 52587 1 710 . 1 . 1 64 64 ALA C C 13 174.914 0.000 . . . . . . . 61 A C . 52587 1 711 . 1 . 1 64 64 ALA CA C 13 49.644 0.000 . . . . . . . 61 A CA . 52587 1 712 . 1 . 1 64 64 ALA CB C 13 23.106 0.000 . . . . . . . 61 A CB . 52587 1 713 . 1 . 1 64 64 ALA N N 15 126.374 0.000 . . . . . . . 61 A N . 52587 1 714 . 1 . 1 65 65 LEU H H 1 8.918 0.000 . . . . . . . 62 L H . 52587 1 715 . 1 . 1 65 65 LEU HA H 1 4.588 0.000 . . . . . . . 62 L HA . 52587 1 716 . 1 . 1 65 65 LEU HB2 H 1 1.912 0.000 . . . . . . . 62 L HB2 . 52587 1 717 . 1 . 1 65 65 LEU HB3 H 1 1.731 0.000 . . . . . . . 62 L HB3 . 52587 1 718 . 1 . 1 65 65 LEU HG H 1 1.649 0.000 . . . . . . . 62 L HG . 52587 1 719 . 1 . 1 65 65 LEU HD11 H 1 0.965 0.000 . . . . . . . 62 L HD11 . 52587 1 720 . 1 . 1 65 65 LEU HD12 H 1 0.965 0.000 . . . . . . . 62 L HD12 . 52587 1 721 . 1 . 1 65 65 LEU HD13 H 1 0.965 0.000 . . . . . . . 62 L HD13 . 52587 1 722 . 1 . 1 65 65 LEU HD21 H 1 0.949 0.000 . . . . . . . 62 L HD21 . 52587 1 723 . 1 . 1 65 65 LEU HD22 H 1 0.949 0.000 . . . . . . . 62 L HD22 . 52587 1 724 . 1 . 1 65 65 LEU HD23 H 1 0.949 0.000 . . . . . . . 62 L HD23 . 52587 1 725 . 1 . 1 65 65 LEU C C 13 171.593 0.000 . . . . . . . 62 L C . 52587 1 726 . 1 . 1 65 65 LEU CA C 13 55.425 0.000 . . . . . . . 62 L CA . 52587 1 727 . 1 . 1 65 65 LEU CB C 13 41.602 0.000 . . . . . . . 62 L CB . 52587 1 728 . 1 . 1 65 65 LEU CG C 13 26.117 0.000 . . . . . . . 62 L CG . 52587 1 729 . 1 . 1 65 65 LEU CD1 C 13 24.521 0.000 . . . . . . . 62 L CD1 . 52587 1 730 . 1 . 1 65 65 LEU CD2 C 13 26.157 0.000 . . . . . . . 62 L CD2 . 52587 1 731 . 1 . 1 65 65 LEU N N 15 121.967 0.000 . . . . . . . 62 L N . 52587 1 732 . 1 . 1 66 66 GLY H H 1 8.619 0.000 . . . . . . . 63 G H . 52587 1 733 . 1 . 1 66 66 GLY HA2 H 1 4.378 0.000 . . . . . . . 63 G HA2 . 52587 1 734 . 1 . 1 66 66 GLY HA3 H 1 4.023 0.000 . . . . . . . 63 G HA3 . 52587 1 735 . 1 . 1 66 66 GLY C C 13 178.607 0.000 . . . . . . . 63 G C . 52587 1 736 . 1 . 1 66 66 GLY CA C 13 47.732 0.000 . . . . . . . 63 G CA . 52587 1 737 . 1 . 1 66 66 GLY N N 15 109.793 0.000 . . . . . . . 63 G N . 52587 1 738 . 1 . 1 67 67 GLU H H 1 8.210 0.000 . . . . . . . 64 E H . 52587 1 739 . 1 . 1 67 67 GLU HA H 1 4.257 0.000 . . . . . . . 64 E HA . 52587 1 740 . 1 . 1 67 67 GLU HB2 H 1 2.231 0.000 . . . . . . . 64 E HB2 . 52587 1 741 . 1 . 1 67 67 GLU HB3 H 1 2.016 0.000 . . . . . . . 64 E HB3 . 52587 1 742 . 1 . 1 67 67 GLU HG2 H 1 2.149 0.000 . . . . . . . 64 E HG2 . 52587 1 743 . 1 . 1 67 67 GLU HG3 H 1 2.265 0.000 . . . . . . . 64 E HG3 . 52587 1 744 . 1 . 1 67 67 GLU C C 13 174.626 0.000 . . . . . . . 64 E C . 52587 1 745 . 1 . 1 67 67 GLU CA C 13 57.121 0.000 . . . . . . . 64 E CA . 52587 1 746 . 1 . 1 67 67 GLU CB C 13 29.638 0.000 . . . . . . . 64 E CB . 52587 1 747 . 1 . 1 67 67 GLU CG C 13 36.815 0.000 . . . . . . . 64 E CG . 52587 1 748 . 1 . 1 67 67 GLU N N 15 115.415 0.000 . . . . . . . 64 E N . 52587 1 749 . 1 . 1 68 68 THR H H 1 7.660 0.000 . . . . . . . 65 T H . 52587 1 750 . 1 . 1 68 68 THR HA H 1 3.967 0.000 . . . . . . . 65 T HA . 52587 1 751 . 1 . 1 68 68 THR HB H 1 4.122 0.000 . . . . . . . 65 T HB . 52587 1 752 . 1 . 1 68 68 THR CA C 13 63.347 0.000 . . . . . . . 65 T CA . 52587 1 753 . 1 . 1 68 68 THR CB C 13 68.817 0.000 . . . . . . . 65 T CB . 52587 1 754 . 1 . 1 68 68 THR N N 15 121.018 0.000 . . . . . . . 65 T N . 52587 1 755 . 1 . 1 69 69 THR HB H 1 4.116 0.000 . . . . . . . 66 T HB . 52587 1 756 . 1 . 1 69 69 THR HG21 H 1 0.980 0.000 . . . . . . . 66 T HG21 . 52587 1 757 . 1 . 1 69 69 THR HG22 H 1 0.980 0.000 . . . . . . . 66 T HG22 . 52587 1 758 . 1 . 1 69 69 THR HG23 H 1 0.980 0.000 . . . . . . . 66 T HG23 . 52587 1 759 . 1 . 1 69 69 THR C C 13 179.534 0.000 . . . . . . . 66 T C . 52587 1 760 . 1 . 1 69 69 THR CA C 13 63.161 0.000 . . . . . . . 66 T CA . 52587 1 761 . 1 . 1 69 69 THR CB C 13 68.723 0.000 . . . . . . . 66 T CB . 52587 1 762 . 1 . 1 70 70 ILE H H 1 8.665 0.000 . . . . . . . 67 I H . 52587 1 763 . 1 . 1 70 70 ILE HA H 1 3.986 0.000 . . . . . . . 67 I HA . 52587 1 764 . 1 . 1 70 70 ILE HB H 1 1.553 0.000 . . . . . . . 67 I HB . 52587 1 765 . 1 . 1 70 70 ILE HG12 H 1 0.921 0.000 . . . . . . . 67 I HG12 . 52587 1 766 . 1 . 1 70 70 ILE HG13 H 1 -0.049 0.000 . . . . . . . 67 I HG13 . 52587 1 767 . 1 . 1 70 70 ILE HG21 H 1 0.492 0.000 . . . . . . . 67 I HG21 . 52587 1 768 . 1 . 1 70 70 ILE HG22 H 1 0.492 0.000 . . . . . . . 67 I HG22 . 52587 1 769 . 1 . 1 70 70 ILE HG23 H 1 0.492 0.000 . . . . . . . 67 I HG23 . 52587 1 770 . 1 . 1 70 70 ILE HD11 H 1 0.103 0.000 . . . . . . . 67 I HD11 . 52587 1 771 . 1 . 1 70 70 ILE HD12 H 1 0.103 0.000 . . . . . . . 67 I HD12 . 52587 1 772 . 1 . 1 70 70 ILE HD13 H 1 0.103 0.000 . . . . . . . 67 I HD13 . 52587 1 773 . 1 . 1 70 70 ILE C C 13 177.034 0.000 . . . . . . . 67 I C . 52587 1 774 . 1 . 1 70 70 ILE CA C 13 60.165 0.000 . . . . . . . 67 I CA . 52587 1 775 . 1 . 1 70 70 ILE CB C 13 39.120 0.000 . . . . . . . 67 I CB . 52587 1 776 . 1 . 1 70 70 ILE CG1 C 13 25.600 0.000 . . . . . . . 67 I CG1 . 52587 1 777 . 1 . 1 70 70 ILE CG2 C 13 17.100 0.000 . . . . . . . 67 I CG2 . 52587 1 778 . 1 . 1 70 70 ILE CD1 C 13 12.938 0.000 . . . . . . . 67 I CD1 . 52587 1 779 . 1 . 1 70 70 ILE N N 15 127.954 0.000 . . . . . . . 67 I N . 52587 1 780 . 1 . 1 71 71 ASP H H 1 8.731 0.000 . . . . . . . 68 D H . 52587 1 781 . 1 . 1 71 71 ASP C C 13 176.190 0.000 . . . . . . . 68 D C . 52587 1 782 . 1 . 1 71 71 ASP CA C 13 52.195 0.000 . . . . . . . 68 D CA . 52587 1 783 . 1 . 1 71 71 ASP CB C 13 39.990 0.000 . . . . . . . 68 D CB . 52587 1 784 . 1 . 1 71 71 ASP N N 15 128.079 0.000 . . . . . . . 68 D N . 52587 1 785 . 1 . 1 72 72 LEU H H 1 8.520 0.000 . . . . . . . 69 L H . 52587 1 786 . 1 . 1 72 72 LEU HA H 1 3.807 0.000 . . . . . . . 69 L HA . 52587 1 787 . 1 . 1 72 72 LEU HB2 H 1 1.743 0.000 . . . . . . . 69 L HB2 . 52587 1 788 . 1 . 1 72 72 LEU HB3 H 1 1.451 0.000 . . . . . . . 69 L HB3 . 52587 1 789 . 1 . 1 72 72 LEU HD11 H 1 0.571 0.000 . . . . . . . 69 L HD11 . 52587 1 790 . 1 . 1 72 72 LEU HD12 H 1 0.571 0.000 . . . . . . . 69 L HD12 . 52587 1 791 . 1 . 1 72 72 LEU HD13 H 1 0.571 0.000 . . . . . . . 69 L HD13 . 52587 1 792 . 1 . 1 72 72 LEU HD21 H 1 0.687 0.000 . . . . . . . 69 L HD21 . 52587 1 793 . 1 . 1 72 72 LEU HD22 H 1 0.687 0.000 . . . . . . . 69 L HD22 . 52587 1 794 . 1 . 1 72 72 LEU HD23 H 1 0.687 0.000 . . . . . . . 69 L HD23 . 52587 1 795 . 1 . 1 72 72 LEU CA C 13 57.525 0.000 . . . . . . . 69 L CA . 52587 1 796 . 1 . 1 72 72 LEU CB C 13 42.119 0.000 . . . . . . . 69 L CB . 52587 1 797 . 1 . 1 72 72 LEU CD1 C 13 23.972 0.000 . . . . . . . 69 L CD1 . 52587 1 798 . 1 . 1 72 72 LEU CD2 C 13 25.337 0.000 . . . . . . . 69 L CD2 . 52587 1 799 . 1 . 1 72 72 LEU N N 15 125.346 0.000 . . . . . . . 69 L N . 52587 1 800 . 1 . 1 73 73 LYS H H 1 8.234 0.000 . . . . . . . 70 K H . 52587 1 801 . 1 . 1 73 73 LYS HA H 1 4.253 0.000 . . . . . . . 70 K HA . 52587 1 802 . 1 . 1 73 73 LYS HB2 H 1 2.134 0.000 . . . . . . . 70 K HB2 . 52587 1 803 . 1 . 1 73 73 LYS HB3 H 1 1.985 0.000 . . . . . . . 70 K HB3 . 52587 1 804 . 1 . 1 73 73 LYS HG2 H 1 1.518 0.000 . . . . . . . 70 K HG2 . 52587 1 805 . 1 . 1 73 73 LYS HG3 H 1 1.600 0.000 . . . . . . . 70 K HG3 . 52587 1 806 . 1 . 1 73 73 LYS HD2 H 1 1.736 0.000 . . . . . . . 70 K HD2 . 52587 1 807 . 1 . 1 73 73 LYS HE2 H 1 3.060 0.000 . . . . . . . 70 K HE2 . 52587 1 808 . 1 . 1 73 73 LYS C C 13 173.912 0.000 . . . . . . . 70 K C . 52587 1 809 . 1 . 1 73 73 LYS CA C 13 58.591 0.000 . . . . . . . 70 K CA . 52587 1 810 . 1 . 1 73 73 LYS CB C 13 32.012 0.000 . . . . . . . 70 K CB . 52587 1 811 . 1 . 1 73 73 LYS CG C 13 25.481 0.000 . . . . . . . 70 K CG . 52587 1 812 . 1 . 1 73 73 LYS CD C 13 29.061 0.000 . . . . . . . 70 K CD . 52587 1 813 . 1 . 1 73 73 LYS CE C 13 41.700 0.000 . . . . . . . 70 K CE . 52587 1 814 . 1 . 1 73 73 LYS N N 15 116.299 0.000 . . . . . . . 70 K N . 52587 1 815 . 1 . 1 74 74 LYS H H 1 7.064 0.000 . . . . . . . 71 K H . 52587 1 816 . 1 . 1 74 74 LYS HA H 1 4.598 0.000 . . . . . . . 71 K HA . 52587 1 817 . 1 . 1 74 74 LYS HB3 H 1 1.573 0.000 . . . . . . . 71 K HB3 . 52587 1 818 . 1 . 1 74 74 LYS HG2 H 1 1.466 0.000 . . . . . . . 71 K HG2 . 52587 1 819 . 1 . 1 74 74 LYS HG3 H 1 1.309 0.000 . . . . . . . 71 K HG3 . 52587 1 820 . 1 . 1 74 74 LYS HD2 H 1 1.670 0.000 . . . . . . . 71 K HD2 . 52587 1 821 . 1 . 1 74 74 LYS HE2 H 1 2.952 0.000 . . . . . . . 71 K HE2 . 52587 1 822 . 1 . 1 74 74 LYS C C 13 173.386 0.000 . . . . . . . 71 K C . 52587 1 823 . 1 . 1 74 74 LYS CA C 13 55.557 0.000 . . . . . . . 71 K CA . 52587 1 824 . 1 . 1 74 74 LYS CB C 13 34.574 0.000 . . . . . . . 71 K CB . 52587 1 825 . 1 . 1 74 74 LYS CG C 13 25.322 0.000 . . . . . . . 71 K CG . 52587 1 826 . 1 . 1 74 74 LYS CD C 13 28.872 0.000 . . . . . . . 71 K CD . 52587 1 827 . 1 . 1 74 74 LYS CE C 13 41.854 0.000 . . . . . . . 71 K CE . 52587 1 828 . 1 . 1 74 74 LYS N N 15 113.897 0.000 . . . . . . . 71 K N . 52587 1 829 . 1 . 1 75 75 LEU H H 1 7.380 0.000 . . . . . . . 72 L H . 52587 1 830 . 1 . 1 75 75 LEU HA H 1 3.804 0.000 . . . . . . . 72 L HA . 52587 1 831 . 1 . 1 75 75 LEU HG H 1 0.753 0.000 . . . . . . . 72 L HG . 52587 1 832 . 1 . 1 75 75 LEU HD11 H 1 0.893 0.000 . . . . . . . 72 L HD11 . 52587 1 833 . 1 . 1 75 75 LEU HD12 H 1 0.893 0.000 . . . . . . . 72 L HD12 . 52587 1 834 . 1 . 1 75 75 LEU HD13 H 1 0.893 0.000 . . . . . . . 72 L HD13 . 52587 1 835 . 1 . 1 75 75 LEU CA C 13 57.525 0.000 . . . . . . . 72 L CA . 52587 1 836 . 1 . 1 75 75 LEU CB C 13 42.119 0.000 . . . . . . . 72 L CB . 52587 1 837 . 1 . 1 75 75 LEU CG C 13 26.159 0.000 . . . . . . . 72 L CG . 52587 1 838 . 1 . 1 75 75 LEU N N 15 118.944 0.000 . . . . . . . 72 L N . 52587 1 839 . 1 . 1 76 76 HIS H H 1 8.220 0.000 . . . . . . . 73 H H . 52587 1 840 . 1 . 1 76 76 HIS HA H 1 4.315 0.000 . . . . . . . 73 H HA . 52587 1 841 . 1 . 1 76 76 HIS HB2 H 1 2.505 0.000 . . . . . . . 73 H HB2 . 52587 1 842 . 1 . 1 76 76 HIS HB3 H 1 2.818 0.000 . . . . . . . 73 H HB3 . 52587 1 843 . 1 . 1 76 76 HIS C C 13 173.894 0.000 . . . . . . . 73 H C . 52587 1 844 . 1 . 1 76 76 HIS CA C 13 58.663 0.000 . . . . . . . 73 H CA . 52587 1 845 . 1 . 1 76 76 HIS CB C 13 29.256 0.000 . . . . . . . 73 H CB . 52587 1 846 . 1 . 1 76 76 HIS N N 15 116.231 0.000 . . . . . . . 73 H N . 52587 1 847 . 1 . 1 77 77 HIS H H 1 6.233 0.000 . . . . . . . 74 H H . 52587 1 848 . 1 . 1 77 77 HIS HA H 1 4.285 0.000 . . . . . . . 74 H HA . 52587 1 849 . 1 . 1 77 77 HIS HB2 H 1 3.078 0.000 . . . . . . . 74 H HB2 . 52587 1 850 . 1 . 1 77 77 HIS HB3 H 1 2.856 0.000 . . . . . . . 74 H HB3 . 52587 1 851 . 1 . 1 77 77 HIS HD2 H 1 6.596 0.000 . . . . . . . 74 H HD2 . 52587 1 852 . 1 . 1 77 77 HIS C C 13 174.694 0.000 . . . . . . . 74 H C . 52587 1 853 . 1 . 1 77 77 HIS CA C 13 57.598 0.000 . . . . . . . 74 H CA . 52587 1 854 . 1 . 1 77 77 HIS CB C 13 30.456 0.000 . . . . . . . 74 H CB . 52587 1 855 . 1 . 1 77 77 HIS CD2 C 13 119.411 0.000 . . . . . . . 74 H CD2 . 52587 1 856 . 1 . 1 77 77 HIS N N 15 116.980 0.000 . . . . . . . 74 H N . 52587 1 857 . 1 . 1 78 78 VAL H H 1 7.343 0.000 . . . . . . . 75 V H . 52587 1 858 . 1 . 1 78 78 VAL HA H 1 3.830 0.000 . . . . . . . 75 V HA . 52587 1 859 . 1 . 1 78 78 VAL HB H 1 2.120 0.000 . . . . . . . 75 V HB . 52587 1 860 . 1 . 1 78 78 VAL HG11 H 1 0.656 0.000 . . . . . . . 75 V HG11 . 52587 1 861 . 1 . 1 78 78 VAL HG12 H 1 0.656 0.000 . . . . . . . 75 V HG12 . 52587 1 862 . 1 . 1 78 78 VAL HG13 H 1 0.656 0.000 . . . . . . . 75 V HG13 . 52587 1 863 . 1 . 1 78 78 VAL HG21 H 1 0.945 0.000 . . . . . . . 75 V HG21 . 52587 1 864 . 1 . 1 78 78 VAL HG22 H 1 0.945 0.000 . . . . . . . 75 V HG22 . 52587 1 865 . 1 . 1 78 78 VAL HG23 H 1 0.945 0.000 . . . . . . . 75 V HG23 . 52587 1 866 . 1 . 1 78 78 VAL C C 13 174.392 0.000 . . . . . . . 75 V C . 52587 1 867 . 1 . 1 78 78 VAL CA C 13 64.211 0.000 . . . . . . . 75 V CA . 52587 1 868 . 1 . 1 78 78 VAL CB C 13 32.666 0.000 . . . . . . . 75 V CB . 52587 1 869 . 1 . 1 78 78 VAL CG1 C 13 20.964 0.000 . . . . . . . 75 V CG1 . 52587 1 870 . 1 . 1 78 78 VAL CG2 C 13 21.398 0.000 . . . . . . . 75 V CG2 . 52587 1 871 . 1 . 1 78 78 VAL N N 15 117.701 0.000 . . . . . . . 75 V N . 52587 1 872 . 1 . 1 79 79 ILE H H 1 7.043 0.000 . . . . . . . 76 I H . 52587 1 873 . 1 . 1 79 79 ILE HA H 1 4.142 0.000 . . . . . . . 76 I HA . 52587 1 874 . 1 . 1 79 79 ILE HB H 1 1.869 0.000 . . . . . . . 76 I HB . 52587 1 875 . 1 . 1 79 79 ILE HG12 H 1 0.543 0.000 . . . . . . . 76 I HG12 . 52587 1 876 . 1 . 1 79 79 ILE HG13 H 1 0.854 0.000 . . . . . . . 76 I HG13 . 52587 1 877 . 1 . 1 79 79 ILE HG21 H 1 0.490 0.000 . . . . . . . 76 I HG21 . 52587 1 878 . 1 . 1 79 79 ILE HG22 H 1 0.490 0.000 . . . . . . . 76 I HG22 . 52587 1 879 . 1 . 1 79 79 ILE HG23 H 1 0.490 0.000 . . . . . . . 76 I HG23 . 52587 1 880 . 1 . 1 79 79 ILE HD11 H 1 -0.458 0.000 . . . . . . . 76 I HD11 . 52587 1 881 . 1 . 1 79 79 ILE HD12 H 1 -0.458 0.000 . . . . . . . 76 I HD12 . 52587 1 882 . 1 . 1 79 79 ILE HD13 H 1 -0.458 0.000 . . . . . . . 76 I HD13 . 52587 1 883 . 1 . 1 79 79 ILE C C 13 176.498 0.000 . . . . . . . 76 I C . 52587 1 884 . 1 . 1 79 79 ILE CA C 13 61.617 0.000 . . . . . . . 76 I CA . 52587 1 885 . 1 . 1 79 79 ILE CB C 13 37.803 0.000 . . . . . . . 76 I CB . 52587 1 886 . 1 . 1 79 79 ILE CG1 C 13 25.255 0.000 . . . . . . . 76 I CG1 . 52587 1 887 . 1 . 1 79 79 ILE CG2 C 13 18.030 0.000 . . . . . . . 76 I CG2 . 52587 1 888 . 1 . 1 79 79 ILE CD1 C 13 11.025 0.000 . . . . . . . 76 I CD1 . 52587 1 889 . 1 . 1 79 79 ILE N N 15 107.772 0.000 . . . . . . . 76 I N . 52587 1 890 . 1 . 1 80 80 GLY H H 1 7.387 0.000 . . . . . . . 77 G H . 52587 1 891 . 1 . 1 80 80 GLY HA2 H 1 4.002 0.000 . . . . . . . 77 G HA2 . 52587 1 892 . 1 . 1 80 80 GLY HA3 H 1 4.002 0.000 . . . . . . . 77 G HA3 . 52587 1 893 . 1 . 1 80 80 GLY C C 13 176.646 0.000 . . . . . . . 77 G C . 52587 1 894 . 1 . 1 80 80 GLY CA C 13 46.268 0.000 . . . . . . . 77 G CA . 52587 1 895 . 1 . 1 80 80 GLY N N 15 108.648 0.000 . . . . . . . 77 G N . 52587 1 896 . 1 . 1 81 81 SER H H 1 7.765 0.000 . . . . . . . 78 S H . 52587 1 897 . 1 . 1 81 81 SER C C 13 175.412 0.000 . . . . . . . 78 S C . 52587 1 898 . 1 . 1 81 81 SER CA C 13 57.435 0.000 . . . . . . . 78 S CA . 52587 1 899 . 1 . 1 81 81 SER CB C 13 66.650 0.000 . . . . . . . 78 S CB . 52587 1 900 . 1 . 1 81 81 SER N N 15 115.395 0.000 . . . . . . . 78 S N . 52587 1 901 . 1 . 1 82 82 GLY H H 1 8.115 0.000 . . . . . . . 79 G H . 52587 1 902 . 1 . 1 82 82 GLY HA2 H 1 4.495 0.000 . . . . . . . 79 G HA2 . 52587 1 903 . 1 . 1 82 82 GLY HA3 H 1 3.436 0.000 . . . . . . . 79 G HA3 . 52587 1 904 . 1 . 1 82 82 GLY C C 13 178.241 0.000 . . . . . . . 79 G C . 52587 1 905 . 1 . 1 82 82 GLY CA C 13 44.664 0.000 . . . . . . . 79 G CA . 52587 1 906 . 1 . 1 82 82 GLY N N 15 102.624 0.000 . . . . . . . 79 G N . 52587 1 907 . 1 . 1 83 83 ARG H H 1 8.623 0.000 . . . . . . . 80 R H . 52587 1 908 . 1 . 1 83 83 ARG HA H 1 3.162 0.000 . . . . . . . 80 R HA . 52587 1 909 . 1 . 1 83 83 ARG HB2 H 1 1.545 0.000 . . . . . . . 80 R HB2 . 52587 1 910 . 1 . 1 83 83 ARG HB3 H 1 1.420 0.000 . . . . . . . 80 R HB3 . 52587 1 911 . 1 . 1 83 83 ARG HG2 H 1 0.932 0.000 . . . . . . . 80 R HG2 . 52587 1 912 . 1 . 1 83 83 ARG HG3 H 1 1.376 0.000 . . . . . . . 80 R HG3 . 52587 1 913 . 1 . 1 83 83 ARG HD2 H 1 2.972 0.000 . . . . . . . 80 R HD2 . 52587 1 914 . 1 . 1 83 83 ARG C C 13 173.648 0.000 . . . . . . . 80 R C . 52587 1 915 . 1 . 1 83 83 ARG CA C 13 58.580 0.000 . . . . . . . 80 R CA . 52587 1 916 . 1 . 1 83 83 ARG CB C 13 29.949 0.000 . . . . . . . 80 R CB . 52587 1 917 . 1 . 1 83 83 ARG CG C 13 27.300 0.000 . . . . . . . 80 R CG . 52587 1 918 . 1 . 1 83 83 ARG CD C 13 43.100 0.000 . . . . . . . 80 R CD . 52587 1 919 . 1 . 1 83 83 ARG N N 15 120.823 0.000 . . . . . . . 80 R N . 52587 1 920 . 1 . 1 84 84 LEU H H 1 8.657 0.000 . . . . . . . 81 L H . 52587 1 921 . 1 . 1 84 84 LEU HA H 1 4.373 0.000 . . . . . . . 81 L HA . 52587 1 922 . 1 . 1 84 84 LEU HB2 H 1 1.724 0.000 . . . . . . . 81 L HB2 . 52587 1 923 . 1 . 1 84 84 LEU HB3 H 1 1.074 0.000 . . . . . . . 81 L HB3 . 52587 1 924 . 1 . 1 84 84 LEU HG H 1 0.671 0.000 . . . . . . . 81 L HG . 52587 1 925 . 1 . 1 84 84 LEU HD11 H 1 0.992 0.000 . . . . . . . 81 L HD11 . 52587 1 926 . 1 . 1 84 84 LEU HD12 H 1 0.992 0.000 . . . . . . . 81 L HD12 . 52587 1 927 . 1 . 1 84 84 LEU HD13 H 1 0.992 0.000 . . . . . . . 81 L HD13 . 52587 1 928 . 1 . 1 84 84 LEU HD21 H 1 0.416 0.000 . . . . . . . 81 L HD21 . 52587 1 929 . 1 . 1 84 84 LEU HD22 H 1 0.416 0.000 . . . . . . . 81 L HD22 . 52587 1 930 . 1 . 1 84 84 LEU HD23 H 1 0.416 0.000 . . . . . . . 81 L HD23 . 52587 1 931 . 1 . 1 84 84 LEU C C 13 175.701 0.000 . . . . . . . 81 L C . 52587 1 932 . 1 . 1 84 84 LEU CA C 13 55.671 0.000 . . . . . . . 81 L CA . 52587 1 933 . 1 . 1 84 84 LEU CB C 13 45.242 0.000 . . . . . . . 81 L CB . 52587 1 934 . 1 . 1 84 84 LEU CG C 13 26.080 0.000 . . . . . . . 81 L CG . 52587 1 935 . 1 . 1 84 84 LEU CD1 C 13 23.190 0.000 . . . . . . . 81 L CD1 . 52587 1 936 . 1 . 1 84 84 LEU CD2 C 13 26.070 0.000 . . . . . . . 81 L CD2 . 52587 1 937 . 1 . 1 84 84 LEU N N 15 125.968 0.000 . . . . . . . 81 L N . 52587 1 938 . 1 . 1 85 85 SER H H 1 7.970 0.000 . . . . . . . 82 S H . 52587 1 939 . 1 . 1 85 85 SER HB2 H 1 3.954 0.000 . . . . . . . 82 S HB2 . 52587 1 940 . 1 . 1 85 85 SER HB3 H 1 3.822 0.000 . . . . . . . 82 S HB3 . 52587 1 941 . 1 . 1 85 85 SER CA C 13 56.719 0.000 . . . . . . . 82 S CA . 52587 1 942 . 1 . 1 85 85 SER CB C 13 65.800 0.000 . . . . . . . 82 S CB . 52587 1 943 . 1 . 1 85 85 SER N N 15 113.912 0.000 . . . . . . . 82 S N . 52587 1 944 . 1 . 1 86 86 PHE HA H 1 4.673 0.000 . . . . . . . 83 F HA . 52587 1 945 . 1 . 1 86 86 PHE HB2 H 1 3.494 0.000 . . . . . . . 83 F HB2 . 52587 1 946 . 1 . 1 86 86 PHE HB3 H 1 3.057 0.000 . . . . . . . 83 F HB3 . 52587 1 947 . 1 . 1 86 86 PHE HD1 H 1 7.532 0.000 . . . . . . . 83 F HD1 . 52587 1 948 . 1 . 1 86 86 PHE HD2 H 1 7.541 0.000 . . . . . . . 83 F HD2 . 52587 1 949 . 1 . 1 86 86 PHE C C 13 173.782 0.000 . . . . . . . 83 F C . 52587 1 950 . 1 . 1 86 86 PHE CA C 13 60.493 0.000 . . . . . . . 83 F CA . 52587 1 951 . 1 . 1 86 86 PHE CB C 13 38.177 0.000 . . . . . . . 83 F CB . 52587 1 952 . 1 . 1 86 86 PHE CD1 C 13 131.430 0.000 . . . . . . . 83 F CD1 . 52587 1 953 . 1 . 1 87 87 GLY H H 1 9.472 0.000 . . . . . . . 84 G H . 52587 1 954 . 1 . 1 87 87 GLY HA2 H 1 3.197 0.000 . . . . . . . 84 G HA2 . 52587 1 955 . 1 . 1 87 87 GLY HA3 H 1 4.290 0.000 . . . . . . . 84 G HA3 . 52587 1 956 . 1 . 1 87 87 GLY C C 13 175.496 0.000 . . . . . . . 84 G C . 52587 1 957 . 1 . 1 87 87 GLY CA C 13 43.828 0.000 . . . . . . . 84 G CA . 52587 1 958 . 1 . 1 87 87 GLY N N 15 111.087 0.000 . . . . . . . 84 G N . 52587 1 959 . 1 . 1 88 88 PRO HA H 1 4.839 0.000 . . . . . . . 85 P HA . 52587 1 960 . 1 . 1 88 88 PRO HB2 H 1 2.690 0.000 . . . . . . . 85 P HB2 . 52587 1 961 . 1 . 1 88 88 PRO HG3 H 1 2.383 0.000 . . . . . . . 85 P HG3 . 52587 1 962 . 1 . 1 88 88 PRO CA C 13 63.070 0.000 . . . . . . . 85 P CA . 52587 1 963 . 1 . 1 88 88 PRO CB C 13 32.720 0.000 . . . . . . . 85 P CB . 52587 1 964 . 1 . 1 88 88 PRO CD C 13 50.768 0.000 . . . . . . . 85 P CD . 52587 1 965 . 1 . 1 89 89 GLN HA H 1 4.111 0.000 . . . . . . . 86 Q HA . 52587 1 966 . 1 . 1 89 89 GLN HB2 H 1 2.437 0.000 . . . . . . . 86 Q HB2 . 52587 1 967 . 1 . 1 89 89 GLN HB3 H 1 2.240 0.000 . . . . . . . 86 Q HB3 . 52587 1 968 . 1 . 1 89 89 GLN HG2 H 1 2.415 0.000 . . . . . . . 86 Q HG2 . 52587 1 969 . 1 . 1 89 89 GLN HG3 H 1 2.526 0.000 . . . . . . . 86 Q HG3 . 52587 1 970 . 1 . 1 89 89 GLN HE21 H 1 7.300 0.000 . . . . . . . 86 Q HE21 . 52587 1 971 . 1 . 1 89 89 GLN C C 13 173.033 0.000 . . . . . . . 86 Q C . 52587 1 972 . 1 . 1 89 89 GLN CA C 13 59.470 0.000 . . . . . . . 86 Q CA . 52587 1 973 . 1 . 1 89 89 GLN CB C 13 28.105 0.000 . . . . . . . 86 Q CB . 52587 1 974 . 1 . 1 89 89 GLN CG C 13 33.358 0.000 . . . . . . . 86 Q CG . 52587 1 975 . 1 . 1 90 90 GLU H H 1 10.344 0.000 . . . . . . . 87 E H . 52587 1 976 . 1 . 1 90 90 GLU HA H 1 4.252 0.000 . . . . . . . 87 E HA . 52587 1 977 . 1 . 1 90 90 GLU HB2 H 1 2.153 0.000 . . . . . . . 87 E HB2 . 52587 1 978 . 1 . 1 90 90 GLU HG2 H 1 2.417 0.000 . . . . . . . 87 E HG2 . 52587 1 979 . 1 . 1 90 90 GLU HG3 H 1 2.499 0.000 . . . . . . . 87 E HG3 . 52587 1 980 . 1 . 1 90 90 GLU C C 13 171.854 0.000 . . . . . . . 87 E C . 52587 1 981 . 1 . 1 90 90 GLU CA C 13 60.449 0.000 . . . . . . . 87 E CA . 52587 1 982 . 1 . 1 90 90 GLU CB C 13 28.178 0.000 . . . . . . . 87 E CB . 52587 1 983 . 1 . 1 90 90 GLU CG C 13 36.657 0.000 . . . . . . . 87 E CG . 52587 1 984 . 1 . 1 90 90 GLU N N 15 122.283 0.000 . . . . . . . 87 E N . 52587 1 985 . 1 . 1 91 91 MET H H 1 6.940 0.000 . . . . . . . 88 M H . 52587 1 986 . 1 . 1 91 91 MET HA H 1 4.633 0.000 . . . . . . . 88 M HA . 52587 1 987 . 1 . 1 91 91 MET HB2 H 1 2.285 0.000 . . . . . . . 88 M HB2 . 52587 1 988 . 1 . 1 91 91 MET HB3 H 1 2.731 0.000 . . . . . . . 88 M HB3 . 52587 1 989 . 1 . 1 91 91 MET HG2 H 1 2.804 0.000 . . . . . . . 88 M HG2 . 52587 1 990 . 1 . 1 91 91 MET HG3 H 1 2.905 0.000 . . . . . . . 88 M HG3 . 52587 1 991 . 1 . 1 91 91 MET C C 13 173.013 0.000 . . . . . . . 88 M C . 52587 1 992 . 1 . 1 91 91 MET CA C 13 57.477 0.000 . . . . . . . 88 M CA . 52587 1 993 . 1 . 1 91 91 MET CB C 13 32.947 0.000 . . . . . . . 88 M CB . 52587 1 994 . 1 . 1 91 91 MET CG C 13 33.267 0.000 . . . . . . . 88 M CG . 52587 1 995 . 1 . 1 91 91 MET N N 15 116.553 0.000 . . . . . . . 88 M N . 52587 1 996 . 1 . 1 92 92 MET H H 1 7.821 0.000 . . . . . . . 89 M H . 52587 1 997 . 1 . 1 92 92 MET HA H 1 2.810 0.000 . . . . . . . 89 M HA . 52587 1 998 . 1 . 1 92 92 MET HB2 H 1 1.467 0.000 . . . . . . . 89 M HB2 . 52587 1 999 . 1 . 1 92 92 MET HB3 H 1 1.494 0.000 . . . . . . . 89 M HB3 . 52587 1 1000 . 1 . 1 92 92 MET HG2 H 1 1.211 0.000 . . . . . . . 89 M HG2 . 52587 1 1001 . 1 . 1 92 92 MET HG3 H 1 2.041 0.000 . . . . . . . 89 M HG3 . 52587 1 1002 . 1 . 1 92 92 MET HE1 H 1 1.131 0.000 . . . . . . . 89 M HE1 . 52587 1 1003 . 1 . 1 92 92 MET HE2 H 1 1.131 0.000 . . . . . . . 89 M HE2 . 52587 1 1004 . 1 . 1 92 92 MET HE3 H 1 1.131 0.000 . . . . . . . 89 M HE3 . 52587 1 1005 . 1 . 1 92 92 MET C C 13 173.990 0.000 . . . . . . . 89 M C . 52587 1 1006 . 1 . 1 92 92 MET CA C 13 59.196 0.000 . . . . . . . 89 M CA . 52587 1 1007 . 1 . 1 92 92 MET CB C 13 33.885 0.000 . . . . . . . 89 M CB . 52587 1 1008 . 1 . 1 92 92 MET CG C 13 30.440 0.000 . . . . . . . 89 M CG . 52587 1 1009 . 1 . 1 92 92 MET N N 15 124.355 0.000 . . . . . . . 89 M N . 52587 1 1010 . 1 . 1 93 93 LEU H H 1 7.735 0.000 . . . . . . . 90 L H . 52587 1 1011 . 1 . 1 93 93 LEU HA H 1 4.065 0.000 . . . . . . . 90 L HA . 52587 1 1012 . 1 . 1 93 93 LEU HB2 H 1 1.859 0.000 . . . . . . . 90 L HB2 . 52587 1 1013 . 1 . 1 93 93 LEU HB3 H 1 1.714 0.000 . . . . . . . 90 L HB3 . 52587 1 1014 . 1 . 1 93 93 LEU HG H 1 1.545 0.000 . . . . . . . 90 L HG . 52587 1 1015 . 1 . 1 93 93 LEU HD11 H 1 0.841 0.000 . . . . . . . 90 L HD11 . 52587 1 1016 . 1 . 1 93 93 LEU HD12 H 1 0.841 0.000 . . . . . . . 90 L HD12 . 52587 1 1017 . 1 . 1 93 93 LEU HD13 H 1 0.841 0.000 . . . . . . . 90 L HD13 . 52587 1 1018 . 1 . 1 93 93 LEU HD21 H 1 0.676 0.000 . . . . . . . 90 L HD21 . 52587 1 1019 . 1 . 1 93 93 LEU HD22 H 1 0.676 0.000 . . . . . . . 90 L HD22 . 52587 1 1020 . 1 . 1 93 93 LEU HD23 H 1 0.676 0.000 . . . . . . . 90 L HD23 . 52587 1 1021 . 1 . 1 93 93 LEU C C 13 172.463 0.000 . . . . . . . 90 L C . 52587 1 1022 . 1 . 1 93 93 LEU CA C 13 58.052 0.000 . . . . . . . 90 L CA . 52587 1 1023 . 1 . 1 93 93 LEU CB C 13 41.559 0.000 . . . . . . . 90 L CB . 52587 1 1024 . 1 . 1 93 93 LEU CG C 13 26.700 0.000 . . . . . . . 90 L CG . 52587 1 1025 . 1 . 1 93 93 LEU CD1 C 13 25.600 0.000 . . . . . . . 90 L CD1 . 52587 1 1026 . 1 . 1 93 93 LEU CD2 C 13 22.900 0.000 . . . . . . . 90 L CD2 . 52587 1 1027 . 1 . 1 93 93 LEU N N 15 120.532 0.000 . . . . . . . 90 L N . 52587 1 1028 . 1 . 1 94 94 GLU H H 1 7.326 0.000 . . . . . . . 91 E H . 52587 1 1029 . 1 . 1 94 94 GLU HA H 1 4.070 0.000 . . . . . . . 91 E HA . 52587 1 1030 . 1 . 1 94 94 GLU HB2 H 1 2.293 0.000 . . . . . . . 91 E HB2 . 52587 1 1031 . 1 . 1 94 94 GLU HB3 H 1 2.141 0.000 . . . . . . . 91 E HB3 . 52587 1 1032 . 1 . 1 94 94 GLU HG2 H 1 2.211 0.000 . . . . . . . 91 E HG2 . 52587 1 1033 . 1 . 1 94 94 GLU HG3 H 1 2.437 0.000 . . . . . . . 91 E HG3 . 52587 1 1034 . 1 . 1 94 94 GLU C C 13 174.080 0.000 . . . . . . . 91 E C . 52587 1 1035 . 1 . 1 94 94 GLU CA C 13 59.047 0.000 . . . . . . . 91 E CA . 52587 1 1036 . 1 . 1 94 94 GLU CB C 13 30.831 0.000 . . . . . . . 91 E CB . 52587 1 1037 . 1 . 1 94 94 GLU CG C 13 36.412 0.000 . . . . . . . 91 E CG . 52587 1 1038 . 1 . 1 94 94 GLU N N 15 115.275 0.000 . . . . . . . 91 E N . 52587 1 1039 . 1 . 1 95 95 THR H H 1 7.518 0.000 . . . . . . . 92 T H . 52587 1 1040 . 1 . 1 95 95 THR HA H 1 4.309 0.000 . . . . . . . 92 T HA . 52587 1 1041 . 1 . 1 95 95 THR HB H 1 3.865 0.000 . . . . . . . 92 T HB . 52587 1 1042 . 1 . 1 95 95 THR HG21 H 1 1.108 0.000 . . . . . . . 92 T HG21 . 52587 1 1043 . 1 . 1 95 95 THR HG22 H 1 1.108 0.000 . . . . . . . 92 T HG22 . 52587 1 1044 . 1 . 1 95 95 THR HG23 H 1 1.108 0.000 . . . . . . . 92 T HG23 . 52587 1 1045 . 1 . 1 95 95 THR C C 13 178.348 0.000 . . . . . . . 92 T C . 52587 1 1046 . 1 . 1 95 95 THR CA C 13 63.630 0.000 . . . . . . . 92 T CA . 52587 1 1047 . 1 . 1 95 95 THR CB C 13 70.239 0.000 . . . . . . . 92 T CB . 52587 1 1048 . 1 . 1 95 95 THR CG2 C 13 22.634 0.000 . . . . . . . 92 T CG2 . 52587 1 1049 . 1 . 1 95 95 THR N N 15 106.271 0.000 . . . . . . . 92 T N . 52587 1 1050 . 1 . 1 96 96 LEU H H 1 7.335 0.000 . . . . . . . 93 L H . 52587 1 1051 . 1 . 1 96 96 LEU HA H 1 4.900 0.000 . . . . . . . 93 L HA . 52587 1 1052 . 1 . 1 96 96 LEU HB2 H 1 1.826 0.000 . . . . . . . 93 L HB2 . 52587 1 1053 . 1 . 1 96 96 LEU HB3 H 1 1.308 0.000 . . . . . . . 93 L HB3 . 52587 1 1054 . 1 . 1 96 96 LEU HD11 H 1 0.798 0.000 . . . . . . . 93 L HD11 . 52587 1 1055 . 1 . 1 96 96 LEU HD12 H 1 0.798 0.000 . . . . . . . 93 L HD12 . 52587 1 1056 . 1 . 1 96 96 LEU HD13 H 1 0.798 0.000 . . . . . . . 93 L HD13 . 52587 1 1057 . 1 . 1 96 96 LEU HD21 H 1 0.689 0.000 . . . . . . . 93 L HD21 . 52587 1 1058 . 1 . 1 96 96 LEU HD22 H 1 0.689 0.000 . . . . . . . 93 L HD22 . 52587 1 1059 . 1 . 1 96 96 LEU HD23 H 1 0.689 0.000 . . . . . . . 93 L HD23 . 52587 1 1060 . 1 . 1 96 96 LEU C C 13 172.777 0.000 . . . . . . . 93 L C . 52587 1 1061 . 1 . 1 96 96 LEU CA C 13 53.262 0.000 . . . . . . . 93 L CA . 52587 1 1062 . 1 . 1 96 96 LEU CB C 13 45.169 0.000 . . . . . . . 93 L CB . 52587 1 1063 . 1 . 1 96 96 LEU CD1 C 13 27.818 0.000 . . . . . . . 93 L CD1 . 52587 1 1064 . 1 . 1 96 96 LEU CD2 C 13 22.624 0.000 . . . . . . . 93 L CD2 . 52587 1 1065 . 1 . 1 96 96 LEU N N 15 114.107 0.000 . . . . . . . 93 L N . 52587 1 1066 . 1 . 1 97 97 GLY H H 1 7.749 0.000 . . . . . . . 94 G H . 52587 1 1067 . 1 . 1 97 97 GLY HA2 H 1 4.246 0.000 . . . . . . . 94 G HA2 . 52587 1 1068 . 1 . 1 97 97 GLY HA3 H 1 3.986 0.000 . . . . . . . 94 G HA3 . 52587 1 1069 . 1 . 1 97 97 GLY C C 13 177.417 0.000 . . . . . . . 94 G C . 52587 1 1070 . 1 . 1 97 97 GLY CA C 13 47.038 0.000 . . . . . . . 94 G CA . 52587 1 1071 . 1 . 1 97 97 GLY N N 15 107.413 0.000 . . . . . . . 94 G N . 52587 1 1072 . 1 . 1 98 98 VAL H H 1 6.504 0.000 . . . . . . . 95 V H . 52587 1 1073 . 1 . 1 98 98 VAL HA H 1 5.022 0.000 . . . . . . . 95 V HA . 52587 1 1074 . 1 . 1 98 98 VAL HB H 1 2.085 0.000 . . . . . . . 95 V HB . 52587 1 1075 . 1 . 1 98 98 VAL HG11 H 1 0.813 0.000 . . . . . . . 95 V HG11 . 52587 1 1076 . 1 . 1 98 98 VAL HG12 H 1 0.813 0.000 . . . . . . . 95 V HG12 . 52587 1 1077 . 1 . 1 98 98 VAL HG13 H 1 0.813 0.000 . . . . . . . 95 V HG13 . 52587 1 1078 . 1 . 1 98 98 VAL HG21 H 1 0.529 0.000 . . . . . . . 95 V HG21 . 52587 1 1079 . 1 . 1 98 98 VAL HG22 H 1 0.529 0.000 . . . . . . . 95 V HG22 . 52587 1 1080 . 1 . 1 98 98 VAL HG23 H 1 0.529 0.000 . . . . . . . 95 V HG23 . 52587 1 1081 . 1 . 1 98 98 VAL C C 13 177.742 0.000 . . . . . . . 95 V C . 52587 1 1082 . 1 . 1 98 98 VAL CA C 13 57.462 0.000 . . . . . . . 95 V CA . 52587 1 1083 . 1 . 1 98 98 VAL CB C 13 35.292 0.000 . . . . . . . 95 V CB . 52587 1 1084 . 1 . 1 98 98 VAL CG1 C 13 21.523 0.000 . . . . . . . 95 V CG1 . 52587 1 1085 . 1 . 1 98 98 VAL CG2 C 13 18.198 0.000 . . . . . . . 95 V CG2 . 52587 1 1086 . 1 . 1 98 98 VAL N N 15 106.730 0.000 . . . . . . . 95 V N . 52587 1 1087 . 1 . 1 99 99 THR H H 1 7.430 0.000 . . . . . . . 96 T H . 52587 1 1088 . 1 . 1 99 99 THR HA H 1 4.720 0.000 . . . . . . . 96 T HA . 52587 1 1089 . 1 . 1 99 99 THR HB H 1 4.496 0.000 . . . . . . . 96 T HB . 52587 1 1090 . 1 . 1 99 99 THR HG21 H 1 1.206 0.000 . . . . . . . 96 T HG21 . 52587 1 1091 . 1 . 1 99 99 THR HG22 H 1 1.206 0.000 . . . . . . . 96 T HG22 . 52587 1 1092 . 1 . 1 99 99 THR HG23 H 1 1.206 0.000 . . . . . . . 96 T HG23 . 52587 1 1093 . 1 . 1 99 99 THR CA C 13 58.493 0.000 . . . . . . . 96 T CA . 52587 1 1094 . 1 . 1 99 99 THR CB C 13 68.640 0.000 . . . . . . . 96 T CB . 52587 1 1095 . 1 . 1 99 99 THR CG2 C 13 22.057 0.000 . . . . . . . 96 T CG2 . 52587 1 1096 . 1 . 1 99 99 THR N N 15 108.397 0.000 . . . . . . . 96 T N . 52587 1 1097 . 1 . 1 100 100 PRO HA H 1 4.175 0.000 . . . . . . . 97 P HA . 52587 1 1098 . 1 . 1 100 100 PRO HB2 H 1 1.986 0.000 . . . . . . . 97 P HB2 . 52587 1 1099 . 1 . 1 100 100 PRO HB3 H 1 2.452 0.000 . . . . . . . 97 P HB3 . 52587 1 1100 . 1 . 1 100 100 PRO HG2 H 1 1.914 0.000 . . . . . . . 97 P HG2 . 52587 1 1101 . 1 . 1 100 100 PRO HG3 H 1 2.230 0.000 . . . . . . . 97 P HG3 . 52587 1 1102 . 1 . 1 100 100 PRO HD2 H 1 3.712 0.000 . . . . . . . 97 P HD2 . 52587 1 1103 . 1 . 1 100 100 PRO HD3 H 1 4.010 0.000 . . . . . . . 97 P HD3 . 52587 1 1104 . 1 . 1 100 100 PRO CA C 13 65.275 0.000 . . . . . . . 97 P CA . 52587 1 1105 . 1 . 1 100 100 PRO CB C 13 31.900 0.000 . . . . . . . 97 P CB . 52587 1 1106 . 1 . 1 100 100 PRO CG C 13 28.071 0.000 . . . . . . . 97 P CG . 52587 1 1107 . 1 . 1 100 100 PRO CD C 13 50.497 0.000 . . . . . . . 97 P CD . 52587 1 1108 . 1 . 1 101 101 GLY HA2 H 1 3.941 0.000 . . . . . . . 98 G HA2 . 52587 1 1109 . 1 . 1 101 101 GLY HA3 H 1 4.296 0.000 . . . . . . . 98 G HA3 . 52587 1 1110 . 1 . 1 101 101 GLY CA C 13 45.433 0.000 . . . . . . . 98 G CA . 52587 1 1111 . 1 . 1 102 102 SER H H 1 8.214 0.000 . . . . . . . 99 S H . 52587 1 1112 . 1 . 1 102 102 SER HA H 1 4.608 0.000 . . . . . . . 99 S HA . 52587 1 1113 . 1 . 1 102 102 SER HB3 H 1 3.786 0.000 . . . . . . . 99 S HB3 . 52587 1 1114 . 1 . 1 102 102 SER C C 13 178.361 0.000 . . . . . . . 99 S C . 52587 1 1115 . 1 . 1 102 102 SER CA C 13 56.684 0.000 . . . . . . . 99 S CA . 52587 1 1116 . 1 . 1 102 102 SER CB C 13 63.924 0.000 . . . . . . . 99 S CB . 52587 1 1117 . 1 . 1 102 102 SER N N 15 115.431 0.000 . . . . . . . 99 S N . 52587 1 1118 . 1 . 1 103 103 VAL H H 1 7.999 0.000 . . . . . . . 100 V H . 52587 1 1119 . 1 . 1 103 103 VAL HA H 1 3.397 0.000 . . . . . . . 100 V HA . 52587 1 1120 . 1 . 1 103 103 VAL HB H 1 2.224 0.000 . . . . . . . 100 V HB . 52587 1 1121 . 1 . 1 103 103 VAL HG11 H 1 1.139 0.000 . . . . . . . 100 V HG11 . 52587 1 1122 . 1 . 1 103 103 VAL HG12 H 1 1.139 0.000 . . . . . . . 100 V HG12 . 52587 1 1123 . 1 . 1 103 103 VAL HG13 H 1 1.139 0.000 . . . . . . . 100 V HG13 . 52587 1 1124 . 1 . 1 103 103 VAL HG21 H 1 0.804 0.000 . . . . . . . 100 V HG21 . 52587 1 1125 . 1 . 1 103 103 VAL HG22 H 1 0.804 0.000 . . . . . . . 100 V HG22 . 52587 1 1126 . 1 . 1 103 103 VAL HG23 H 1 0.804 0.000 . . . . . . . 100 V HG23 . 52587 1 1127 . 1 . 1 103 103 VAL C C 13 175.221 0.000 . . . . . . . 100 V C . 52587 1 1128 . 1 . 1 103 103 VAL CA C 13 65.730 0.000 . . . . . . . 100 V CA . 52587 1 1129 . 1 . 1 103 103 VAL CB C 13 30.316 0.000 . . . . . . . 100 V CB . 52587 1 1130 . 1 . 1 103 103 VAL CG1 C 13 23.126 0.000 . . . . . . . 100 V CG1 . 52587 1 1131 . 1 . 1 103 103 VAL CG2 C 13 23.700 0.000 . . . . . . . 100 V CG2 . 52587 1 1132 . 1 . 1 103 103 VAL N N 15 119.073 0.000 . . . . . . . 100 V N . 52587 1 1133 . 1 . 1 104 104 THR H H 1 6.037 0.000 . . . . . . . 101 T H . 52587 1 1134 . 1 . 1 104 104 THR HA H 1 4.680 0.000 . . . . . . . 101 T HA . 52587 1 1135 . 1 . 1 104 104 THR HG21 H 1 1.402 0.000 . . . . . . . 101 T HG21 . 52587 1 1136 . 1 . 1 104 104 THR HG22 H 1 1.402 0.000 . . . . . . . 101 T HG22 . 52587 1 1137 . 1 . 1 104 104 THR HG23 H 1 1.402 0.000 . . . . . . . 101 T HG23 . 52587 1 1138 . 1 . 1 104 104 THR C C 13 178.173 0.000 . . . . . . . 101 T C . 52587 1 1139 . 1 . 1 104 104 THR CA C 13 57.496 0.000 . . . . . . . 101 T CA . 52587 1 1140 . 1 . 1 104 104 THR CB C 13 68.664 0.000 . . . . . . . 101 T CB . 52587 1 1141 . 1 . 1 104 104 THR CG2 C 13 20.510 0.000 . . . . . . . 101 T CG2 . 52587 1 1142 . 1 . 1 104 104 THR N N 15 115.654 0.000 . . . . . . . 101 T N . 52587 1 1143 . 1 . 1 105 105 ALA H H 1 5.886 0.000 . . . . . . . 102 A H . 52587 1 1144 . 1 . 1 105 105 ALA HA H 1 3.838 0.000 . . . . . . . 102 A HA . 52587 1 1145 . 1 . 1 105 105 ALA HB1 H 1 0.514 0.000 . . . . . . . 102 A HB1 . 52587 1 1146 . 1 . 1 105 105 ALA HB2 H 1 0.514 0.000 . . . . . . . 102 A HB2 . 52587 1 1147 . 1 . 1 105 105 ALA HB3 H 1 0.514 0.000 . . . . . . . 102 A HB3 . 52587 1 1148 . 1 . 1 105 105 ALA C C 13 173.395 0.000 . . . . . . . 102 A C . 52587 1 1149 . 1 . 1 105 105 ALA CA C 13 54.495 0.000 . . . . . . . 102 A CA . 52587 1 1150 . 1 . 1 105 105 ALA CB C 13 17.330 0.000 . . . . . . . 102 A CB . 52587 1 1151 . 1 . 1 105 105 ALA N N 15 129.679 0.000 . . . . . . . 102 A N . 52587 1 1152 . 1 . 1 106 106 PHE H H 1 7.529 0.000 . . . . . . . 103 F H . 52587 1 1153 . 1 . 1 106 106 PHE HA H 1 4.746 0.000 . . . . . . . 103 F HA . 52587 1 1154 . 1 . 1 106 106 PHE HB2 H 1 3.322 0.000 . . . . . . . 103 F HB2 . 52587 1 1155 . 1 . 1 106 106 PHE HB3 H 1 2.586 0.000 . . . . . . . 103 F HB3 . 52587 1 1156 . 1 . 1 106 106 PHE HD1 H 1 6.549 0.000 . . . . . . . 103 F HD1 . 52587 1 1157 . 1 . 1 106 106 PHE HE1 H 1 6.580 0.000 . . . . . . . 103 F HE1 . 52587 1 1158 . 1 . 1 106 106 PHE HZ H 1 7.136 0.000 . . . . . . . 103 F HZ . 52587 1 1159 . 1 . 1 106 106 PHE C C 13 174.516 0.000 . . . . . . . 103 F C . 52587 1 1160 . 1 . 1 106 106 PHE CA C 13 55.900 0.000 . . . . . . . 103 F CA . 52587 1 1161 . 1 . 1 106 106 PHE CB C 13 36.739 0.000 . . . . . . . 103 F CB . 52587 1 1162 . 1 . 1 106 106 PHE CE1 C 13 131.530 0.000 . . . . . . . 103 F CE1 . 52587 1 1163 . 1 . 1 106 106 PHE N N 15 112.838 0.000 . . . . . . . 103 F N . 52587 1 1164 . 1 . 1 107 107 GLY H H 1 7.797 0.000 . . . . . . . 104 G H . 52587 1 1165 . 1 . 1 107 107 GLY HA2 H 1 4.042 0.000 . . . . . . . 104 G HA2 . 52587 1 1166 . 1 . 1 107 107 GLY HA3 H 1 3.770 0.000 . . . . . . . 104 G HA3 . 52587 1 1167 . 1 . 1 107 107 GLY C C 13 177.420 0.000 . . . . . . . 104 G C . 52587 1 1168 . 1 . 1 107 107 GLY CA C 13 46.490 0.000 . . . . . . . 104 G CA . 52587 1 1169 . 1 . 1 107 107 GLY N N 15 105.193 0.000 . . . . . . . 104 G N . 52587 1 1170 . 1 . 1 108 108 LEU H H 1 7.522 0.000 . . . . . . . 105 L H . 52587 1 1171 . 1 . 1 108 108 LEU HA H 1 3.981 0.000 . . . . . . . 105 L HA . 52587 1 1172 . 1 . 1 108 108 LEU HB2 H 1 1.530 0.000 . . . . . . . 105 L HB2 . 52587 1 1173 . 1 . 1 108 108 LEU HG H 1 1.544 0.000 . . . . . . . 105 L HG . 52587 1 1174 . 1 . 1 108 108 LEU HD11 H 1 0.277 0.000 . . . . . . . 105 L HD11 . 52587 1 1175 . 1 . 1 108 108 LEU HD12 H 1 0.277 0.000 . . . . . . . 105 L HD12 . 52587 1 1176 . 1 . 1 108 108 LEU HD13 H 1 0.277 0.000 . . . . . . . 105 L HD13 . 52587 1 1177 . 1 . 1 108 108 LEU CA C 13 57.556 0.000 . . . . . . . 105 L CA . 52587 1 1178 . 1 . 1 108 108 LEU CB C 13 41.619 0.000 . . . . . . . 105 L CB . 52587 1 1179 . 1 . 1 108 108 LEU CG C 13 26.983 0.000 . . . . . . . 105 L CG . 52587 1 1180 . 1 . 1 108 108 LEU CD1 C 13 25.064 0.000 . . . . . . . 105 L CD1 . 52587 1 1181 . 1 . 1 108 108 LEU N N 15 120.093 0.000 . . . . . . . 105 L N . 52587 1 1182 . 1 . 1 109 109 ILE H H 1 7.435 0.000 . . . . . . . 106 I H . 52587 1 1183 . 1 . 1 109 109 ILE HA H 1 3.725 0.000 . . . . . . . 106 I HA . 52587 1 1184 . 1 . 1 109 109 ILE HB H 1 1.588 0.000 . . . . . . . 106 I HB . 52587 1 1185 . 1 . 1 109 109 ILE HG12 H 1 0.947 0.000 . . . . . . . 106 I HG12 . 52587 1 1186 . 1 . 1 109 109 ILE HG13 H 1 0.841 0.000 . . . . . . . 106 I HG13 . 52587 1 1187 . 1 . 1 109 109 ILE HG21 H 1 0.736 0.000 . . . . . . . 106 I HG21 . 52587 1 1188 . 1 . 1 109 109 ILE HG22 H 1 0.736 0.000 . . . . . . . 106 I HG22 . 52587 1 1189 . 1 . 1 109 109 ILE HG23 H 1 0.736 0.000 . . . . . . . 106 I HG23 . 52587 1 1190 . 1 . 1 109 109 ILE HD11 H 1 0.329 0.000 . . . . . . . 106 I HD11 . 52587 1 1191 . 1 . 1 109 109 ILE HD12 H 1 0.329 0.000 . . . . . . . 106 I HD12 . 52587 1 1192 . 1 . 1 109 109 ILE HD13 H 1 0.329 0.000 . . . . . . . 106 I HD13 . 52587 1 1193 . 1 . 1 109 109 ILE C C 13 177.162 0.000 . . . . . . . 106 I C . 52587 1 1194 . 1 . 1 109 109 ILE CA C 13 63.797 0.000 . . . . . . . 106 I CA . 52587 1 1195 . 1 . 1 109 109 ILE CB C 13 38.183 0.000 . . . . . . . 106 I CB . 52587 1 1196 . 1 . 1 109 109 ILE CG1 C 13 28.501 0.000 . . . . . . . 106 I CG1 . 52587 1 1197 . 1 . 1 109 109 ILE CG2 C 13 16.198 0.000 . . . . . . . 106 I CG2 . 52587 1 1198 . 1 . 1 109 109 ILE CD1 C 13 14.428 0.000 . . . . . . . 106 I CD1 . 52587 1 1199 . 1 . 1 109 109 ILE N N 15 118.485 0.000 . . . . . . . 106 I N . 52587 1 1200 . 1 . 1 110 110 ASN H H 1 7.835 0.000 . . . . . . . 107 N H . 52587 1 1201 . 1 . 1 110 110 ASN HA H 1 4.802 0.000 . . . . . . . 107 N HA . 52587 1 1202 . 1 . 1 110 110 ASN HB2 H 1 2.723 0.000 . . . . . . . 107 N HB2 . 52587 1 1203 . 1 . 1 110 110 ASN HB3 H 1 2.682 0.000 . . . . . . . 107 N HB3 . 52587 1 1204 . 1 . 1 110 110 ASN HD21 H 1 7.177 0.000 . . . . . . . 107 N HD21 . 52587 1 1205 . 1 . 1 110 110 ASN HD22 H 1 7.277 0.000 . . . . . . . 107 N HD22 . 52587 1 1206 . 1 . 1 110 110 ASN C C 13 175.914 0.000 . . . . . . . 107 N C . 52587 1 1207 . 1 . 1 110 110 ASN CA C 13 54.064 0.000 . . . . . . . 107 N CA . 52587 1 1208 . 1 . 1 110 110 ASN CB C 13 40.074 0.000 . . . . . . . 107 N CB . 52587 1 1209 . 1 . 1 110 110 ASN N N 15 117.934 0.000 . . . . . . . 107 N N . 52587 1 1210 . 1 . 1 110 110 ASN ND2 N 15 115.196 0.000 . . . . . . . 107 N ND2 . 52587 1 1211 . 1 . 1 111 111 ASP H H 1 7.295 0.000 . . . . . . . 108 D H . 52587 1 1212 . 1 . 1 111 111 ASP HA H 1 5.146 0.000 . . . . . . . 108 D HA . 52587 1 1213 . 1 . 1 111 111 ASP HB2 H 1 2.860 0.000 . . . . . . . 108 D HB2 . 52587 1 1214 . 1 . 1 111 111 ASP HB3 H 1 2.510 0.000 . . . . . . . 108 D HB3 . 52587 1 1215 . 1 . 1 111 111 ASP C C 13 172.630 0.000 . . . . . . . 108 D C . 52587 1 1216 . 1 . 1 111 111 ASP CA C 13 53.478 0.000 . . . . . . . 108 D CA . 52587 1 1217 . 1 . 1 111 111 ASP CB C 13 39.085 0.000 . . . . . . . 108 D CB . 52587 1 1218 . 1 . 1 111 111 ASP N N 15 122.743 0.000 . . . . . . . 108 D N . 52587 1 1219 . 1 . 1 112 112 THR H H 1 8.224 0.000 . . . . . . . 109 T H . 52587 1 1220 . 1 . 1 112 112 THR HA H 1 4.281 0.000 . . . . . . . 109 T HA . 52587 1 1221 . 1 . 1 112 112 THR HB H 1 3.920 0.000 . . . . . . . 109 T HB . 52587 1 1222 . 1 . 1 112 112 THR HG1 H 1 1.296 0.000 . . . . . . . 109 T HG1 . 52587 1 1223 . 1 . 1 112 112 THR HG21 H 1 1.217 0.000 . . . . . . . 109 T HG21 . 52587 1 1224 . 1 . 1 112 112 THR HG22 H 1 1.217 0.000 . . . . . . . 109 T HG22 . 52587 1 1225 . 1 . 1 112 112 THR HG23 H 1 1.217 0.000 . . . . . . . 109 T HG23 . 52587 1 1226 . 1 . 1 112 112 THR C C 13 174.843 0.000 . . . . . . . 109 T C . 52587 1 1227 . 1 . 1 112 112 THR CA C 13 65.204 0.000 . . . . . . . 109 T CA . 52587 1 1228 . 1 . 1 112 112 THR CB C 13 68.362 0.000 . . . . . . . 109 T CB . 52587 1 1229 . 1 . 1 112 112 THR CG2 C 13 22.677 0.000 . . . . . . . 109 T CG2 . 52587 1 1230 . 1 . 1 112 112 THR N N 15 116.965 0.000 . . . . . . . 109 T N . 52587 1 1231 . 1 . 1 113 113 GLU H H 1 8.829 0.000 . . . . . . . 110 E H . 52587 1 1232 . 1 . 1 113 113 GLU HA H 1 4.404 0.000 . . . . . . . 110 E HA . 52587 1 1233 . 1 . 1 113 113 GLU HB2 H 1 1.940 0.000 . . . . . . . 110 E HB2 . 52587 1 1234 . 1 . 1 113 113 GLU HB3 H 1 2.303 0.000 . . . . . . . 110 E HB3 . 52587 1 1235 . 1 . 1 113 113 GLU HG2 H 1 2.220 0.000 . . . . . . . 110 E HG2 . 52587 1 1236 . 1 . 1 113 113 GLU HG3 H 1 2.314 0.000 . . . . . . . 110 E HG3 . 52587 1 1237 . 1 . 1 113 113 GLU C C 13 176.378 0.000 . . . . . . . 110 E C . 52587 1 1238 . 1 . 1 113 113 GLU CA C 13 55.567 0.000 . . . . . . . 110 E CA . 52587 1 1239 . 1 . 1 113 113 GLU CB C 13 28.954 0.000 . . . . . . . 110 E CB . 52587 1 1240 . 1 . 1 113 113 GLU CG C 13 36.380 0.000 . . . . . . . 110 E CG . 52587 1 1241 . 1 . 1 113 113 GLU N N 15 118.837 0.000 . . . . . . . 110 E N . 52587 1 1242 . 1 . 1 114 114 LYS H H 1 7.888 0.000 . . . . . . . 111 K H . 52587 1 1243 . 1 . 1 114 114 LYS HA H 1 4.107 0.000 . . . . . . . 111 K HA . 52587 1 1244 . 1 . 1 114 114 LYS HB2 H 1 2.038 0.000 . . . . . . . 111 K HB2 . 52587 1 1245 . 1 . 1 114 114 LYS HB3 H 1 1.805 0.000 . . . . . . . 111 K HB3 . 52587 1 1246 . 1 . 1 114 114 LYS HG2 H 1 1.455 0.000 . . . . . . . 111 K HG2 . 52587 1 1247 . 1 . 1 114 114 LYS HG3 H 1 1.259 0.000 . . . . . . . 111 K HG3 . 52587 1 1248 . 1 . 1 114 114 LYS HD2 H 1 1.610 0.000 . . . . . . . 111 K HD2 . 52587 1 1249 . 1 . 1 114 114 LYS HD3 H 1 1.772 0.000 . . . . . . . 111 K HD3 . 52587 1 1250 . 1 . 1 114 114 LYS HE2 H 1 2.969 0.000 . . . . . . . 111 K HE2 . 52587 1 1251 . 1 . 1 114 114 LYS C C 13 174.199 0.000 . . . . . . . 111 K C . 52587 1 1252 . 1 . 1 114 114 LYS CA C 13 56.210 0.000 . . . . . . . 111 K CA . 52587 1 1253 . 1 . 1 114 114 LYS CB C 13 28.064 0.000 . . . . . . . 111 K CB . 52587 1 1254 . 1 . 1 114 114 LYS CG C 13 24.319 0.000 . . . . . . . 111 K CG . 52587 1 1255 . 1 . 1 114 114 LYS CD C 13 28.100 0.000 . . . . . . . 111 K CD . 52587 1 1256 . 1 . 1 114 114 LYS CE C 13 42.600 0.000 . . . . . . . 111 K CE . 52587 1 1257 . 1 . 1 114 114 LYS N N 15 118.612 0.000 . . . . . . . 111 K N . 52587 1 1258 . 1 . 1 115 115 ARG H H 1 10.315 0.000 . . . . . . . 112 R H . 52587 1 1259 . 1 . 1 115 115 ARG HA H 1 4.179 0.000 . . . . . . . 112 R HA . 52587 1 1260 . 1 . 1 115 115 ARG HB2 H 1 1.992 0.000 . . . . . . . 112 R HB2 . 52587 1 1261 . 1 . 1 115 115 ARG HB3 H 1 1.720 0.000 . . . . . . . 112 R HB3 . 52587 1 1262 . 1 . 1 115 115 ARG HG2 H 1 1.647 0.000 . . . . . . . 112 R HG2 . 52587 1 1263 . 1 . 1 115 115 ARG HD2 H 1 3.203 0.000 . . . . . . . 112 R HD2 . 52587 1 1264 . 1 . 1 115 115 ARG HD3 H 1 3.135 0.000 . . . . . . . 112 R HD3 . 52587 1 1265 . 1 . 1 115 115 ARG HE H 1 7.134 0.000 . . . . . . . 112 R HE . 52587 1 1266 . 1 . 1 115 115 ARG C C 13 174.955 0.000 . . . . . . . 112 R C . 52587 1 1267 . 1 . 1 115 115 ARG CA C 13 57.354 0.000 . . . . . . . 112 R CA . 52587 1 1268 . 1 . 1 115 115 ARG CB C 13 32.676 0.000 . . . . . . . 112 R CB . 52587 1 1269 . 1 . 1 115 115 ARG CG C 13 27.609 0.000 . . . . . . . 112 R CG . 52587 1 1270 . 1 . 1 115 115 ARG CD C 13 44.099 0.000 . . . . . . . 112 R CD . 52587 1 1271 . 1 . 1 115 115 ARG N N 15 122.040 0.000 . . . . . . . 112 R N . 52587 1 1272 . 1 . 1 116 116 VAL H H 1 9.876 0.000 . . . . . . . 113 V H . 52587 1 1273 . 1 . 1 116 116 VAL HA H 1 3.865 0.000 . . . . . . . 113 V HA . 52587 1 1274 . 1 . 1 116 116 VAL HB H 1 2.105 0.000 . . . . . . . 113 V HB . 52587 1 1275 . 1 . 1 116 116 VAL HG11 H 1 0.803 0.000 . . . . . . . 113 V HG11 . 52587 1 1276 . 1 . 1 116 116 VAL HG12 H 1 0.803 0.000 . . . . . . . 113 V HG12 . 52587 1 1277 . 1 . 1 116 116 VAL HG13 H 1 0.803 0.000 . . . . . . . 113 V HG13 . 52587 1 1278 . 1 . 1 116 116 VAL HG21 H 1 0.803 0.000 . . . . . . . 113 V HG21 . 52587 1 1279 . 1 . 1 116 116 VAL HG22 H 1 0.803 0.000 . . . . . . . 113 V HG22 . 52587 1 1280 . 1 . 1 116 116 VAL HG23 H 1 0.803 0.000 . . . . . . . 113 V HG23 . 52587 1 1281 . 1 . 1 116 116 VAL C C 13 175.484 0.000 . . . . . . . 113 V C . 52587 1 1282 . 1 . 1 116 116 VAL CA C 13 61.706 0.000 . . . . . . . 113 V CA . 52587 1 1283 . 1 . 1 116 116 VAL CB C 13 32.216 0.000 . . . . . . . 113 V CB . 52587 1 1284 . 1 . 1 116 116 VAL CG1 C 13 24.071 0.000 . . . . . . . 113 V CG1 . 52587 1 1285 . 1 . 1 116 116 VAL CG2 C 13 22.100 0.000 . . . . . . . 113 V CG2 . 52587 1 1286 . 1 . 1 116 116 VAL N N 15 123.123 0.000 . . . . . . . 113 V N . 52587 1 1287 . 1 . 1 117 117 ARG H H 1 7.676 0.000 . . . . . . . 114 R H . 52587 1 1288 . 1 . 1 117 117 ARG HA H 1 4.284 0.000 . . . . . . . 114 R HA . 52587 1 1289 . 1 . 1 117 117 ARG HB2 H 1 1.270 0.000 . . . . . . . 114 R HB2 . 52587 1 1290 . 1 . 1 117 117 ARG HB3 H 1 0.584 0.000 . . . . . . . 114 R HB3 . 52587 1 1291 . 1 . 1 117 117 ARG HG2 H 1 1.207 0.000 . . . . . . . 114 R HG2 . 52587 1 1292 . 1 . 1 117 117 ARG HG3 H 1 1.124 0.000 . . . . . . . 114 R HG3 . 52587 1 1293 . 1 . 1 117 117 ARG HD2 H 1 2.663 0.000 . . . . . . . 114 R HD2 . 52587 1 1294 . 1 . 1 117 117 ARG HD3 H 1 2.257 0.000 . . . . . . . 114 R HD3 . 52587 1 1295 . 1 . 1 117 117 ARG C C 13 175.484 0.000 . . . . . . . 114 R C . 52587 1 1296 . 1 . 1 117 117 ARG CA C 13 55.587 0.000 . . . . . . . 114 R CA . 52587 1 1297 . 1 . 1 117 117 ARG CB C 13 31.179 0.000 . . . . . . . 114 R CB . 52587 1 1298 . 1 . 1 117 117 ARG CG C 13 27.000 0.000 . . . . . . . 114 R CG . 52587 1 1299 . 1 . 1 117 117 ARG CD C 13 42.600 0.000 . . . . . . . 114 R CD . 52587 1 1300 . 1 . 1 117 117 ARG N N 15 126.919 0.000 . . . . . . . 114 R N . 52587 1 1301 . 1 . 1 118 118 PHE H H 1 8.806 0.000 . . . . . . . 115 F H . 52587 1 1302 . 1 . 1 118 118 PHE HA H 1 5.920 0.000 . . . . . . . 115 F HA . 52587 1 1303 . 1 . 1 118 118 PHE HB2 H 1 3.030 0.000 . . . . . . . 115 F HB2 . 52587 1 1304 . 1 . 1 118 118 PHE HB3 H 1 2.876 0.000 . . . . . . . 115 F HB3 . 52587 1 1305 . 1 . 1 118 118 PHE HD1 H 1 7.115 0.000 . . . . . . . 115 F HD1 . 52587 1 1306 . 1 . 1 118 118 PHE HE2 H 1 7.530 0.000 . . . . . . . 115 F HE2 . 52587 1 1307 . 1 . 1 118 118 PHE HZ H 1 7.030 0.000 . . . . . . . 115 F HZ . 52587 1 1308 . 1 . 1 118 118 PHE C C 13 177.475 0.000 . . . . . . . 115 F C . 52587 1 1309 . 1 . 1 118 118 PHE CA C 13 56.016 0.000 . . . . . . . 115 F CA . 52587 1 1310 . 1 . 1 118 118 PHE CB C 13 42.917 0.000 . . . . . . . 115 F CB . 52587 1 1311 . 1 . 1 118 118 PHE CD1 C 13 131.443 0.000 . . . . . . . 115 F CD1 . 52587 1 1312 . 1 . 1 118 118 PHE CZ C 13 127.660 0.000 . . . . . . . 115 F CZ . 52587 1 1313 . 1 . 1 118 118 PHE N N 15 124.024 0.000 . . . . . . . 115 F N . 52587 1 1314 . 1 . 1 119 119 VAL H H 1 9.175 0.000 . . . . . . . 116 V H . 52587 1 1315 . 1 . 1 119 119 VAL HA H 1 4.786 0.000 . . . . . . . 116 V HA . 52587 1 1316 . 1 . 1 119 119 VAL HB H 1 2.171 0.000 . . . . . . . 116 V HB . 52587 1 1317 . 1 . 1 119 119 VAL HG11 H 1 1.162 0.000 . . . . . . . 116 V HG11 . 52587 1 1318 . 1 . 1 119 119 VAL HG12 H 1 1.162 0.000 . . . . . . . 116 V HG12 . 52587 1 1319 . 1 . 1 119 119 VAL HG13 H 1 1.162 0.000 . . . . . . . 116 V HG13 . 52587 1 1320 . 1 . 1 119 119 VAL HG21 H 1 0.859 0.000 . . . . . . . 116 V HG21 . 52587 1 1321 . 1 . 1 119 119 VAL HG22 H 1 0.859 0.000 . . . . . . . 116 V HG22 . 52587 1 1322 . 1 . 1 119 119 VAL HG23 H 1 0.859 0.000 . . . . . . . 116 V HG23 . 52587 1 1323 . 1 . 1 119 119 VAL C C 13 179.652 0.000 . . . . . . . 116 V C . 52587 1 1324 . 1 . 1 119 119 VAL CA C 13 60.323 0.000 . . . . . . . 116 V CA . 52587 1 1325 . 1 . 1 119 119 VAL CB C 13 34.383 0.000 . . . . . . . 116 V CB . 52587 1 1326 . 1 . 1 119 119 VAL CG1 C 13 21.811 0.000 . . . . . . . 116 V CG1 . 52587 1 1327 . 1 . 1 119 119 VAL CG2 C 13 21.811 0.000 . . . . . . . 116 V CG2 . 52587 1 1328 . 1 . 1 119 119 VAL N N 15 131.119 0.000 . . . . . . . 116 V N . 52587 1 1329 . 1 . 1 120 120 LEU H H 1 8.782 0.000 . . . . . . . 117 L H . 52587 1 1330 . 1 . 1 120 120 LEU HA H 1 4.891 0.000 . . . . . . . 117 L HA . 52587 1 1331 . 1 . 1 120 120 LEU HB2 H 1 1.330 0.000 . . . . . . . 117 L HB2 . 52587 1 1332 . 1 . 1 120 120 LEU HB3 H 1 0.991 0.000 . . . . . . . 117 L HB3 . 52587 1 1333 . 1 . 1 120 120 LEU HG H 1 1.532 0.000 . . . . . . . 117 L HG . 52587 1 1334 . 1 . 1 120 120 LEU HD11 H 1 0.861 0.000 . . . . . . . 117 L HD11 . 52587 1 1335 . 1 . 1 120 120 LEU HD12 H 1 0.861 0.000 . . . . . . . 117 L HD12 . 52587 1 1336 . 1 . 1 120 120 LEU HD13 H 1 0.861 0.000 . . . . . . . 117 L HD13 . 52587 1 1337 . 1 . 1 120 120 LEU HD21 H 1 1.066 0.000 . . . . . . . 117 L HD21 . 52587 1 1338 . 1 . 1 120 120 LEU HD22 H 1 1.066 0.000 . . . . . . . 117 L HD22 . 52587 1 1339 . 1 . 1 120 120 LEU HD23 H 1 1.066 0.000 . . . . . . . 117 L HD23 . 52587 1 1340 . 1 . 1 120 120 LEU C C 13 176.263 0.000 . . . . . . . 117 L C . 52587 1 1341 . 1 . 1 120 120 LEU CA C 13 51.696 0.000 . . . . . . . 117 L CA . 52587 1 1342 . 1 . 1 120 120 LEU CB C 13 46.525 0.000 . . . . . . . 117 L CB . 52587 1 1343 . 1 . 1 120 120 LEU CG C 13 26.400 0.000 . . . . . . . 117 L CG . 52587 1 1344 . 1 . 1 120 120 LEU CD1 C 13 25.226 0.000 . . . . . . . 117 L CD1 . 52587 1 1345 . 1 . 1 120 120 LEU CD2 C 13 24.445 0.000 . . . . . . . 117 L CD2 . 52587 1 1346 . 1 . 1 120 120 LEU N N 15 126.789 0.000 . . . . . . . 117 L N . 52587 1 1347 . 1 . 1 121 121 ASP H H 1 8.163 0.000 . . . . . . . 118 D H . 52587 1 1348 . 1 . 1 121 121 ASP HA H 1 5.147 0.000 . . . . . . . 118 D HA . 52587 1 1349 . 1 . 1 121 121 ASP HB2 H 1 3.195 0.000 . . . . . . . 118 D HB2 . 52587 1 1350 . 1 . 1 121 121 ASP HB3 H 1 3.153 0.000 . . . . . . . 118 D HB3 . 52587 1 1351 . 1 . 1 121 121 ASP C C 13 173.930 0.000 . . . . . . . 118 D C . 52587 1 1352 . 1 . 1 121 121 ASP CA C 13 53.795 0.000 . . . . . . . 118 D CA . 52587 1 1353 . 1 . 1 121 121 ASP CB C 13 44.356 0.000 . . . . . . . 118 D CB . 52587 1 1354 . 1 . 1 121 121 ASP N N 15 124.452 0.000 . . . . . . . 118 D N . 52587 1 1355 . 1 . 1 122 122 LYS H H 1 9.561 0.000 . . . . . . . 119 K H . 52587 1 1356 . 1 . 1 122 122 LYS HA H 1 3.812 0.000 . . . . . . . 119 K HA . 52587 1 1357 . 1 . 1 122 122 LYS HB2 H 1 2.066 0.000 . . . . . . . 119 K HB2 . 52587 1 1358 . 1 . 1 122 122 LYS HB3 H 1 1.520 0.000 . . . . . . . 119 K HB3 . 52587 1 1359 . 1 . 1 122 122 LYS HG2 H 1 1.480 0.000 . . . . . . . 119 K HG2 . 52587 1 1360 . 1 . 1 122 122 LYS HD2 H 1 1.779 0.000 . . . . . . . 119 K HD2 . 52587 1 1361 . 1 . 1 122 122 LYS HD3 H 1 1.463 0.000 . . . . . . . 119 K HD3 . 52587 1 1362 . 1 . 1 122 122 LYS HE2 H 1 2.995 0.000 . . . . . . . 119 K HE2 . 52587 1 1363 . 1 . 1 122 122 LYS C C 13 175.033 0.000 . . . . . . . 119 K C . 52587 1 1364 . 1 . 1 122 122 LYS CA C 13 59.041 0.000 . . . . . . . 119 K CA . 52587 1 1365 . 1 . 1 122 122 LYS CB C 13 33.272 0.000 . . . . . . . 119 K CB . 52587 1 1366 . 1 . 1 122 122 LYS CG C 13 24.628 0.000 . . . . . . . 119 K CG . 52587 1 1367 . 1 . 1 122 122 LYS CD C 13 28.590 0.000 . . . . . . . 119 K CD . 52587 1 1368 . 1 . 1 122 122 LYS CE C 13 41.960 0.000 . . . . . . . 119 K CE . 52587 1 1369 . 1 . 1 122 122 LYS N N 15 135.120 0.000 . . . . . . . 119 K N . 52587 1 1370 . 1 . 1 123 123 ALA H H 1 8.342 0.000 . . . . . . . 120 A H . 52587 1 1371 . 1 . 1 123 123 ALA HA H 1 4.281 0.000 . . . . . . . 120 A HA . 52587 1 1372 . 1 . 1 123 123 ALA HB1 H 1 1.583 0.000 . . . . . . . 120 A HB1 . 52587 1 1373 . 1 . 1 123 123 ALA HB2 H 1 1.583 0.000 . . . . . . . 120 A HB2 . 52587 1 1374 . 1 . 1 123 123 ALA HB3 H 1 1.583 0.000 . . . . . . . 120 A HB3 . 52587 1 1375 . 1 . 1 123 123 ALA C C 13 182.849 0.000 . . . . . . . 120 A C . 52587 1 1376 . 1 . 1 123 123 ALA CA C 13 54.597 0.000 . . . . . . . 120 A CA . 52587 1 1377 . 1 . 1 123 123 ALA CB C 13 18.252 0.000 . . . . . . . 120 A CB . 52587 1 1378 . 1 . 1 123 123 ALA N N 15 118.150 0.000 . . . . . . . 120 A N . 52587 1 1379 . 1 . 1 124 124 LEU H H 1 7.193 0.000 . . . . . . . 121 L H . 52587 1 1380 . 1 . 1 124 124 LEU HA H 1 4.219 0.000 . . . . . . . 121 L HA . 52587 1 1381 . 1 . 1 124 124 LEU HB2 H 1 2.377 0.000 . . . . . . . 121 L HB2 . 52587 1 1382 . 1 . 1 124 124 LEU HB3 H 1 1.522 0.000 . . . . . . . 121 L HB3 . 52587 1 1383 . 1 . 1 124 124 LEU HG H 1 1.594 0.000 . . . . . . . 121 L HG . 52587 1 1384 . 1 . 1 124 124 LEU HD11 H 1 0.868 0.000 . . . . . . . 121 L HD11 . 52587 1 1385 . 1 . 1 124 124 LEU HD12 H 1 0.868 0.000 . . . . . . . 121 L HD12 . 52587 1 1386 . 1 . 1 124 124 LEU HD13 H 1 0.868 0.000 . . . . . . . 121 L HD13 . 52587 1 1387 . 1 . 1 124 124 LEU HD21 H 1 0.790 0.000 . . . . . . . 121 L HD21 . 52587 1 1388 . 1 . 1 124 124 LEU HD22 H 1 0.790 0.000 . . . . . . . 121 L HD22 . 52587 1 1389 . 1 . 1 124 124 LEU HD23 H 1 0.790 0.000 . . . . . . . 121 L HD23 . 52587 1 1390 . 1 . 1 124 124 LEU C C 13 172.910 0.000 . . . . . . . 121 L C . 52587 1 1391 . 1 . 1 124 124 LEU CA C 13 56.398 0.000 . . . . . . . 121 L CA . 52587 1 1392 . 1 . 1 124 124 LEU CB C 13 42.736 0.000 . . . . . . . 121 L CB . 52587 1 1393 . 1 . 1 124 124 LEU CG C 13 27.500 0.000 . . . . . . . 121 L CG . 52587 1 1394 . 1 . 1 124 124 LEU CD1 C 13 25.900 0.000 . . . . . . . 121 L CD1 . 52587 1 1395 . 1 . 1 124 124 LEU CD2 C 13 24.800 0.000 . . . . . . . 121 L CD2 . 52587 1 1396 . 1 . 1 124 124 LEU N N 15 119.097 0.000 . . . . . . . 121 L N . 52587 1 1397 . 1 . 1 125 125 ALA H H 1 8.573 0.000 . . . . . . . 122 A H . 52587 1 1398 . 1 . 1 125 125 ALA HA H 1 4.310 0.000 . . . . . . . 122 A HA . 52587 1 1399 . 1 . 1 125 125 ALA HB1 H 1 1.484 0.000 . . . . . . . 122 A HB1 . 52587 1 1400 . 1 . 1 125 125 ALA HB2 H 1 1.484 0.000 . . . . . . . 122 A HB2 . 52587 1 1401 . 1 . 1 125 125 ALA HB3 H 1 1.484 0.000 . . . . . . . 122 A HB3 . 52587 1 1402 . 1 . 1 125 125 ALA C C 13 174.219 0.000 . . . . . . . 122 A C . 52587 1 1403 . 1 . 1 125 125 ALA CA C 13 53.770 0.000 . . . . . . . 122 A CA . 52587 1 1404 . 1 . 1 125 125 ALA CB C 13 17.646 0.000 . . . . . . . 122 A CB . 52587 1 1405 . 1 . 1 125 125 ALA N N 15 124.254 0.000 . . . . . . . 122 A N . 52587 1 1406 . 1 . 1 126 126 ASP H H 1 7.351 0.000 . . . . . . . 123 D H . 52587 1 1407 . 1 . 1 126 126 ASP HA H 1 4.719 0.000 . . . . . . . 123 D HA . 52587 1 1408 . 1 . 1 126 126 ASP HB2 H 1 2.968 0.000 . . . . . . . 123 D HB2 . 52587 1 1409 . 1 . 1 126 126 ASP HB3 H 1 2.537 0.000 . . . . . . . 123 D HB3 . 52587 1 1410 . 1 . 1 126 126 ASP C C 13 174.516 0.000 . . . . . . . 123 D C . 52587 1 1411 . 1 . 1 126 126 ASP CA C 13 54.098 0.000 . . . . . . . 123 D CA . 52587 1 1412 . 1 . 1 126 126 ASP CB C 13 41.299 0.000 . . . . . . . 123 D CB . 52587 1 1413 . 1 . 1 126 126 ASP N N 15 113.476 0.000 . . . . . . . 123 D N . 52587 1 1414 . 1 . 1 127 127 SER H H 1 7.451 0.000 . . . . . . . 124 S H . 52587 1 1415 . 1 . 1 127 127 SER HA H 1 4.660 0.000 . . . . . . . 124 S HA . 52587 1 1416 . 1 . 1 127 127 SER HB2 H 1 3.706 0.000 . . . . . . . 124 S HB2 . 52587 1 1417 . 1 . 1 127 127 SER HB3 H 1 4.132 0.000 . . . . . . . 124 S HB3 . 52587 1 1418 . 1 . 1 127 127 SER CA C 13 58.820 0.000 . . . . . . . 124 S CA . 52587 1 1419 . 1 . 1 127 127 SER CB C 13 64.932 0.000 . . . . . . . 124 S CB . 52587 1 1420 . 1 . 1 127 127 SER N N 15 117.133 0.000 . . . . . . . 124 S N . 52587 1 1421 . 1 . 1 128 128 ASP H H 1 8.511 0.000 . . . . . . . 125 D H . 52587 1 1422 . 1 . 1 128 128 ASP C C 13 181.457 0.000 . . . . . . . 125 D C . 52587 1 1423 . 1 . 1 128 128 ASP CA C 13 59.457 0.000 . . . . . . . 125 D CA . 52587 1 1424 . 1 . 1 128 128 ASP N N 15 122.249 0.000 . . . . . . . 125 D N . 52587 1 1425 . 1 . 1 129 129 PRO HA H 1 5.537 0.000 . . . . . . . 126 P HA . 52587 1 1426 . 1 . 1 129 129 PRO HB2 H 1 2.303 0.000 . . . . . . . 126 P HB2 . 52587 1 1427 . 1 . 1 129 129 PRO HB3 H 1 2.030 0.000 . . . . . . . 126 P HB3 . 52587 1 1428 . 1 . 1 129 129 PRO HG2 H 1 1.730 0.000 . . . . . . . 126 P HG2 . 52587 1 1429 . 1 . 1 129 129 PRO HG3 H 1 1.708 0.000 . . . . . . . 126 P HG3 . 52587 1 1430 . 1 . 1 129 129 PRO HD2 H 1 3.329 0.000 . . . . . . . 126 P HD2 . 52587 1 1431 . 1 . 1 129 129 PRO HD3 H 1 3.457 0.000 . . . . . . . 126 P HD3 . 52587 1 1432 . 1 . 1 129 129 PRO C C 13 176.635 0.000 . . . . . . . 126 P C . 52587 1 1433 . 1 . 1 129 129 PRO CA C 13 64.133 0.000 . . . . . . . 126 P CA . 52587 1 1434 . 1 . 1 129 129 PRO CB C 13 35.038 0.000 . . . . . . . 126 P CB . 52587 1 1435 . 1 . 1 129 129 PRO CG C 13 24.664 0.000 . . . . . . . 126 P CG . 52587 1 1436 . 1 . 1 129 129 PRO CD C 13 49.712 0.000 . . . . . . . 126 P CD . 52587 1 1437 . 1 . 1 130 130 VAL H H 1 9.080 0.000 . . . . . . . 127 V H . 52587 1 1438 . 1 . 1 130 130 VAL HA H 1 4.711 0.000 . . . . . . . 127 V HA . 52587 1 1439 . 1 . 1 130 130 VAL HB H 1 1.732 0.000 . . . . . . . 127 V HB . 52587 1 1440 . 1 . 1 130 130 VAL HG11 H 1 0.781 0.000 . . . . . . . 127 V HG11 . 52587 1 1441 . 1 . 1 130 130 VAL HG12 H 1 0.781 0.000 . . . . . . . 127 V HG12 . 52587 1 1442 . 1 . 1 130 130 VAL HG13 H 1 0.781 0.000 . . . . . . . 127 V HG13 . 52587 1 1443 . 1 . 1 130 130 VAL HG21 H 1 0.962 0.000 . . . . . . . 127 V HG21 . 52587 1 1444 . 1 . 1 130 130 VAL HG22 H 1 0.962 0.000 . . . . . . . 127 V HG22 . 52587 1 1445 . 1 . 1 130 130 VAL HG23 H 1 0.962 0.000 . . . . . . . 127 V HG23 . 52587 1 1446 . 1 . 1 130 130 VAL C C 13 177.936 0.000 . . . . . . . 127 V C . 52587 1 1447 . 1 . 1 130 130 VAL CA C 13 60.237 0.000 . . . . . . . 127 V CA . 52587 1 1448 . 1 . 1 130 130 VAL CB C 13 34.619 0.000 . . . . . . . 127 V CB . 52587 1 1449 . 1 . 1 130 130 VAL CG1 C 13 24.800 0.000 . . . . . . . 127 V CG1 . 52587 1 1450 . 1 . 1 130 130 VAL CG2 C 13 20.400 0.000 . . . . . . . 127 V CG2 . 52587 1 1451 . 1 . 1 130 130 VAL N N 15 110.110 0.000 . . . . . . . 127 V N . 52587 1 1452 . 1 . 1 131 131 ASN H H 1 6.929 0.000 . . . . . . . 128 N H . 52587 1 1453 . 1 . 1 131 131 ASN HA H 1 5.861 0.000 . . . . . . . 128 N HA . 52587 1 1454 . 1 . 1 131 131 ASN HB2 H 1 1.781 0.000 . . . . . . . 128 N HB2 . 52587 1 1455 . 1 . 1 131 131 ASN HB3 H 1 2.005 0.000 . . . . . . . 128 N HB3 . 52587 1 1456 . 1 . 1 131 131 ASN HD22 H 1 5.790 0.000 . . . . . . . 128 N HD22 . 52587 1 1457 . 1 . 1 131 131 ASN C C 13 177.841 0.000 . . . . . . . 128 N C . 52587 1 1458 . 1 . 1 131 131 ASN CA C 13 52.739 0.000 . . . . . . . 128 N CA . 52587 1 1459 . 1 . 1 131 131 ASN CB C 13 42.521 0.000 . . . . . . . 128 N CB . 52587 1 1460 . 1 . 1 131 131 ASN N N 15 118.260 0.000 . . . . . . . 128 N N . 52587 1 1461 . 1 . 1 131 131 ASN ND2 N 15 106.660 0.000 . . . . . . . 128 N ND2 . 52587 1 1462 . 1 . 1 132 132 PHE H H 1 9.182 0.000 . . . . . . . 129 F H . 52587 1 1463 . 1 . 1 132 132 PHE HA H 1 4.667 0.000 . . . . . . . 129 F HA . 52587 1 1464 . 1 . 1 132 132 PHE HB2 H 1 3.159 0.000 . . . . . . . 129 F HB2 . 52587 1 1465 . 1 . 1 132 132 PHE HB3 H 1 1.996 0.000 . . . . . . . 129 F HB3 . 52587 1 1466 . 1 . 1 132 132 PHE HD1 H 1 7.025 0.000 . . . . . . . 129 F HD1 . 52587 1 1467 . 1 . 1 132 132 PHE C C 13 175.367 0.000 . . . . . . . 129 F C . 52587 1 1468 . 1 . 1 132 132 PHE CA C 13 55.907 0.000 . . . . . . . 129 F CA . 52587 1 1469 . 1 . 1 132 132 PHE CB C 13 44.241 0.000 . . . . . . . 129 F CB . 52587 1 1470 . 1 . 1 132 132 PHE CE1 C 13 131.443 0.000 . . . . . . . 129 F CE1 . 52587 1 1471 . 1 . 1 132 132 PHE N N 15 118.481 0.000 . . . . . . . 129 F N . 52587 1 1472 . 1 . 1 133 133 HIS H H 1 9.665 0.000 . . . . . . . 130 H H . 52587 1 1473 . 1 . 1 133 133 HIS C C 13 177.081 0.000 . . . . . . . 130 H C . 52587 1 1474 . 1 . 1 133 133 HIS CA C 13 54.642 0.000 . . . . . . . 130 H CA . 52587 1 1475 . 1 . 1 133 133 HIS CE1 C 13 128.355 0.000 . . . . . . . 130 H CE1 . 52587 1 1476 . 1 . 1 133 133 HIS N N 15 119.478 0.000 . . . . . . . 130 H N . 52587 1 1477 . 1 . 1 133 133 HIS ND1 N 15 129.790 0.000 . . . . . . . 130 H ND1 . 52587 1 1478 . 1 . 1 134 134 PRO HA H 1 4.937 0.000 . . . . . . . 131 P HA . 52587 1 1479 . 1 . 1 134 134 PRO HB2 H 1 2.254 0.000 . . . . . . . 131 P HB2 . 52587 1 1480 . 1 . 1 134 134 PRO HB3 H 1 2.023 0.000 . . . . . . . 131 P HB3 . 52587 1 1481 . 1 . 1 134 134 PRO C C 13 177.468 0.000 . . . . . . . 131 P C . 52587 1 1482 . 1 . 1 134 134 PRO CA C 13 63.350 0.000 . . . . . . . 131 P CA . 52587 1 1483 . 1 . 1 134 134 PRO CB C 13 28.550 0.000 . . . . . . . 131 P CB . 52587 1 1484 . 1 . 1 135 135 LEU H H 1 7.670 0.000 . . . . . . . 132 L H . 52587 1 1485 . 1 . 1 135 135 LEU HA H 1 3.560 0.000 . . . . . . . 132 L HA . 52587 1 1486 . 1 . 1 135 135 LEU HB2 H 1 2.278 0.000 . . . . . . . 132 L HB2 . 52587 1 1487 . 1 . 1 135 135 LEU HB3 H 1 1.691 0.000 . . . . . . . 132 L HB3 . 52587 1 1488 . 1 . 1 135 135 LEU HG H 1 1.126 0.000 . . . . . . . 132 L HG . 52587 1 1489 . 1 . 1 135 135 LEU HD11 H 1 0.592 0.000 . . . . . . . 132 L HD11 . 52587 1 1490 . 1 . 1 135 135 LEU HD12 H 1 0.592 0.000 . . . . . . . 132 L HD12 . 52587 1 1491 . 1 . 1 135 135 LEU HD13 H 1 0.592 0.000 . . . . . . . 132 L HD13 . 52587 1 1492 . 1 . 1 135 135 LEU HD21 H 1 0.554 0.000 . . . . . . . 132 L HD21 . 52587 1 1493 . 1 . 1 135 135 LEU HD22 H 1 0.554 0.000 . . . . . . . 132 L HD22 . 52587 1 1494 . 1 . 1 135 135 LEU HD23 H 1 0.554 0.000 . . . . . . . 132 L HD23 . 52587 1 1495 . 1 . 1 135 135 LEU C C 13 178.158 0.000 . . . . . . . 132 L C . 52587 1 1496 . 1 . 1 135 135 LEU CA C 13 58.078 0.000 . . . . . . . 132 L CA . 52587 1 1497 . 1 . 1 135 135 LEU CB C 13 37.947 0.000 . . . . . . . 132 L CB . 52587 1 1498 . 1 . 1 135 135 LEU CG C 13 27.509 0.000 . . . . . . . 132 L CG . 52587 1 1499 . 1 . 1 135 135 LEU CD1 C 13 21.889 0.000 . . . . . . . 132 L CD1 . 52587 1 1500 . 1 . 1 135 135 LEU CD2 C 13 25.309 0.000 . . . . . . . 132 L CD2 . 52587 1 1501 . 1 . 1 135 135 LEU N N 15 109.220 0.000 . . . . . . . 132 L N . 52587 1 1502 . 1 . 1 136 136 LYS H H 1 7.060 0.000 . . . . . . . 133 K H . 52587 1 1503 . 1 . 1 136 136 LYS HA H 1 4.445 0.000 . . . . . . . 133 K HA . 52587 1 1504 . 1 . 1 136 136 LYS HB2 H 1 1.827 0.000 . . . . . . . 133 K HB2 . 52587 1 1505 . 1 . 1 136 136 LYS HB3 H 1 1.774 0.000 . . . . . . . 133 K HB3 . 52587 1 1506 . 1 . 1 136 136 LYS HG2 H 1 1.378 0.000 . . . . . . . 133 K HG2 . 52587 1 1507 . 1 . 1 136 136 LYS HD2 H 1 1.456 0.000 . . . . . . . 133 K HD2 . 52587 1 1508 . 1 . 1 136 136 LYS HD3 H 1 1.750 0.000 . . . . . . . 133 K HD3 . 52587 1 1509 . 1 . 1 136 136 LYS HE2 H 1 2.920 0.000 . . . . . . . 133 K HE2 . 52587 1 1510 . 1 . 1 136 136 LYS HE3 H 1 3.020 0.000 . . . . . . . 133 K HE3 . 52587 1 1511 . 1 . 1 136 136 LYS C C 13 176.608 0.000 . . . . . . . 133 K C . 52587 1 1512 . 1 . 1 136 136 LYS CA C 13 55.808 0.000 . . . . . . . 133 K CA . 52587 1 1513 . 1 . 1 136 136 LYS CB C 13 36.177 0.000 . . . . . . . 133 K CB . 52587 1 1514 . 1 . 1 136 136 LYS CG C 13 25.676 0.000 . . . . . . . 133 K CG . 52587 1 1515 . 1 . 1 136 136 LYS CD C 13 28.480 0.000 . . . . . . . 133 K CD . 52587 1 1516 . 1 . 1 136 136 LYS CE C 13 42.290 0.000 . . . . . . . 133 K CE . 52587 1 1517 . 1 . 1 136 136 LYS N N 15 116.604 0.000 . . . . . . . 133 K N . 52587 1 1518 . 1 . 1 137 137 ASN H H 1 7.778 0.000 . . . . . . . 134 N H . 52587 1 1519 . 1 . 1 137 137 ASN HA H 1 3.367 0.000 . . . . . . . 134 N HA . 52587 1 1520 . 1 . 1 137 137 ASN HB2 H 1 2.737 0.000 . . . . . . . 134 N HB2 . 52587 1 1521 . 1 . 1 137 137 ASN HB3 H 1 2.430 0.000 . . . . . . . 134 N HB3 . 52587 1 1522 . 1 . 1 137 137 ASN C C 13 177.974 0.000 . . . . . . . 134 N C . 52587 1 1523 . 1 . 1 137 137 ASN CA C 13 52.831 0.000 . . . . . . . 134 N CA . 52587 1 1524 . 1 . 1 137 137 ASN CB C 13 35.994 0.000 . . . . . . . 134 N CB . 52587 1 1525 . 1 . 1 137 137 ASN N N 15 120.791 0.000 . . . . . . . 134 N N . 52587 1 1526 . 1 . 1 138 138 ASP H H 1 7.566 0.000 . . . . . . . 135 D H . 52587 1 1527 . 1 . 1 138 138 ASP HA H 1 4.484 0.000 . . . . . . . 135 D HA . 52587 1 1528 . 1 . 1 138 138 ASP HB2 H 1 3.218 0.000 . . . . . . . 135 D HB2 . 52587 1 1529 . 1 . 1 138 138 ASP HB3 H 1 2.189 0.000 . . . . . . . 135 D HB3 . 52587 1 1530 . 1 . 1 138 138 ASP C C 13 177.071 0.000 . . . . . . . 135 D C . 52587 1 1531 . 1 . 1 138 138 ASP CA C 13 52.107 0.000 . . . . . . . 135 D CA . 52587 1 1532 . 1 . 1 138 138 ASP CB C 13 39.110 0.000 . . . . . . . 135 D CB . 52587 1 1533 . 1 . 1 138 138 ASP N N 15 118.313 0.000 . . . . . . . 135 D N . 52587 1 1534 . 1 . 1 139 139 ALA H H 1 7.289 0.000 . . . . . . . 136 A H . 52587 1 1535 . 1 . 1 139 139 ALA HA H 1 4.589 0.000 . . . . . . . 136 A HA . 52587 1 1536 . 1 . 1 139 139 ALA HB1 H 1 1.294 0.000 . . . . . . . 136 A HB1 . 52587 1 1537 . 1 . 1 139 139 ALA HB2 H 1 1.294 0.000 . . . . . . . 136 A HB2 . 52587 1 1538 . 1 . 1 139 139 ALA HB3 H 1 1.294 0.000 . . . . . . . 136 A HB3 . 52587 1 1539 . 1 . 1 139 139 ALA CA C 13 51.565 0.000 . . . . . . . 136 A CA . 52587 1 1540 . 1 . 1 139 139 ALA CB C 13 22.396 0.000 . . . . . . . 136 A CB . 52587 1 1541 . 1 . 1 139 139 ALA N N 15 118.670 0.000 . . . . . . . 136 A N . 52587 1 1542 . 1 . 1 140 140 THR H H 1 9.144 0.000 . . . . . . . 137 T H . 52587 1 1543 . 1 . 1 140 140 THR HA H 1 4.563 0.000 . . . . . . . 137 T HA . 52587 1 1544 . 1 . 1 140 140 THR HB H 1 4.209 0.000 . . . . . . . 137 T HB . 52587 1 1545 . 1 . 1 140 140 THR HG21 H 1 1.088 0.000 . . . . . . . 137 T HG21 . 52587 1 1546 . 1 . 1 140 140 THR HG22 H 1 1.088 0.000 . . . . . . . 137 T HG22 . 52587 1 1547 . 1 . 1 140 140 THR HG23 H 1 1.088 0.000 . . . . . . . 137 T HG23 . 52587 1 1548 . 1 . 1 140 140 THR C C 13 179.962 0.000 . . . . . . . 137 T C . 52587 1 1549 . 1 . 1 140 140 THR CA C 13 65.135 0.000 . . . . . . . 137 T CA . 52587 1 1550 . 1 . 1 140 140 THR CB C 13 72.398 0.000 . . . . . . . 137 T CB . 52587 1 1551 . 1 . 1 140 140 THR CG2 C 13 22.535 0.000 . . . . . . . 137 T CG2 . 52587 1 1552 . 1 . 1 140 140 THR N N 15 118.920 0.000 . . . . . . . 137 T N . 52587 1 1553 . 1 . 1 141 141 THR H H 1 9.531 0.000 . . . . . . . 138 T H . 52587 1 1554 . 1 . 1 141 141 THR HA H 1 5.309 0.000 . . . . . . . 138 T HA . 52587 1 1555 . 1 . 1 141 141 THR HB H 1 4.175 0.000 . . . . . . . 138 T HB . 52587 1 1556 . 1 . 1 141 141 THR HG21 H 1 1.396 0.000 . . . . . . . 138 T HG21 . 52587 1 1557 . 1 . 1 141 141 THR HG22 H 1 1.396 0.000 . . . . . . . 138 T HG22 . 52587 1 1558 . 1 . 1 141 141 THR HG23 H 1 1.396 0.000 . . . . . . . 138 T HG23 . 52587 1 1559 . 1 . 1 141 141 THR C C 13 179.476 0.000 . . . . . . . 138 T C . 52587 1 1560 . 1 . 1 141 141 THR CA C 13 62.971 0.000 . . . . . . . 138 T CA . 52587 1 1561 . 1 . 1 141 141 THR CB C 13 71.897 0.000 . . . . . . . 138 T CB . 52587 1 1562 . 1 . 1 141 141 THR CG2 C 13 23.521 0.000 . . . . . . . 138 T CG2 . 52587 1 1563 . 1 . 1 141 141 THR N N 15 127.225 0.000 . . . . . . . 138 T N . 52587 1 1564 . 1 . 1 142 142 ALA H H 1 9.470 0.000 . . . . . . . 139 A H . 52587 1 1565 . 1 . 1 142 142 ALA HA H 1 5.490 0.000 . . . . . . . 139 A HA . 52587 1 1566 . 1 . 1 142 142 ALA HB1 H 1 1.384 0.000 . . . . . . . 139 A HB1 . 52587 1 1567 . 1 . 1 142 142 ALA HB2 H 1 1.384 0.000 . . . . . . . 139 A HB2 . 52587 1 1568 . 1 . 1 142 142 ALA HB3 H 1 1.384 0.000 . . . . . . . 139 A HB3 . 52587 1 1569 . 1 . 1 142 142 ALA C C 13 172.878 0.000 . . . . . . . 139 A C . 52587 1 1570 . 1 . 1 142 142 ALA CA C 13 50.389 0.000 . . . . . . . 139 A CA . 52587 1 1571 . 1 . 1 142 142 ALA CB C 13 22.208 0.000 . . . . . . . 139 A CB . 52587 1 1572 . 1 . 1 142 142 ALA N N 15 129.835 0.000 . . . . . . . 139 A N . 52587 1 1573 . 1 . 1 143 143 VAL H H 1 8.976 0.000 . . . . . . . 140 V H . 52587 1 1574 . 1 . 1 143 143 VAL HA H 1 4.765 0.000 . . . . . . . 140 V HA . 52587 1 1575 . 1 . 1 143 143 VAL HB H 1 2.117 0.000 . . . . . . . 140 V HB . 52587 1 1576 . 1 . 1 143 143 VAL HG11 H 1 0.753 0.000 . . . . . . . 140 V HG11 . 52587 1 1577 . 1 . 1 143 143 VAL HG12 H 1 0.753 0.000 . . . . . . . 140 V HG12 . 52587 1 1578 . 1 . 1 143 143 VAL HG13 H 1 0.753 0.000 . . . . . . . 140 V HG13 . 52587 1 1579 . 1 . 1 143 143 VAL HG21 H 1 0.922 0.000 . . . . . . . 140 V HG21 . 52587 1 1580 . 1 . 1 143 143 VAL HG22 H 1 0.922 0.000 . . . . . . . 140 V HG22 . 52587 1 1581 . 1 . 1 143 143 VAL HG23 H 1 0.922 0.000 . . . . . . . 140 V HG23 . 52587 1 1582 . 1 . 1 143 143 VAL C C 13 176.944 0.000 . . . . . . . 140 V C . 52587 1 1583 . 1 . 1 143 143 VAL CA C 13 58.609 0.000 . . . . . . . 140 V CA . 52587 1 1584 . 1 . 1 143 143 VAL CB C 13 35.932 0.000 . . . . . . . 140 V CB . 52587 1 1585 . 1 . 1 143 143 VAL CG1 C 13 21.500 0.000 . . . . . . . 140 V CG1 . 52587 1 1586 . 1 . 1 143 143 VAL CG2 C 13 20.400 0.000 . . . . . . . 140 V CG2 . 52587 1 1587 . 1 . 1 143 143 VAL N N 15 117.703 0.000 . . . . . . . 140 V N . 52587 1 1588 . 1 . 1 144 144 SER H H 1 9.319 0.000 . . . . . . . 141 S H . 52587 1 1589 . 1 . 1 144 144 SER HA H 1 4.620 0.000 . . . . . . . 141 S HA . 52587 1 1590 . 1 . 1 144 144 SER HB2 H 1 4.357 0.000 . . . . . . . 141 S HB2 . 52587 1 1591 . 1 . 1 144 144 SER C C 13 176.494 0.000 . . . . . . . 141 S C . 52587 1 1592 . 1 . 1 144 144 SER CA C 13 57.818 0.000 . . . . . . . 141 S CA . 52587 1 1593 . 1 . 1 144 144 SER CB C 13 64.627 0.000 . . . . . . . 141 S CB . 52587 1 1594 . 1 . 1 144 144 SER N N 15 118.414 0.000 . . . . . . . 141 S N . 52587 1 1595 . 1 . 1 145 145 GLN H H 1 9.182 0.000 . . . . . . . 142 Q H . 52587 1 1596 . 1 . 1 145 145 GLN HA H 1 4.097 0.000 . . . . . . . 142 Q HA . 52587 1 1597 . 1 . 1 145 145 GLN HB2 H 1 2.146 0.000 . . . . . . . 142 Q HB2 . 52587 1 1598 . 1 . 1 145 145 GLN HB3 H 1 2.593 0.000 . . . . . . . 142 Q HB3 . 52587 1 1599 . 1 . 1 145 145 GLN HG2 H 1 2.260 0.000 . . . . . . . 142 Q HG2 . 52587 1 1600 . 1 . 1 145 145 GLN HE21 H 1 6.139 0.000 . . . . . . . 142 Q HE21 . 52587 1 1601 . 1 . 1 145 145 GLN HE22 H 1 8.056 0.000 . . . . . . . 142 Q HE22 . 52587 1 1602 . 1 . 1 145 145 GLN C C 13 172.803 0.000 . . . . . . . 142 Q C . 52587 1 1603 . 1 . 1 145 145 GLN CA C 13 59.206 0.000 . . . . . . . 142 Q CA . 52587 1 1604 . 1 . 1 145 145 GLN CB C 13 28.710 0.000 . . . . . . . 142 Q CB . 52587 1 1605 . 1 . 1 145 145 GLN CG C 13 34.851 0.000 . . . . . . . 142 Q CG . 52587 1 1606 . 1 . 1 145 145 GLN N N 15 123.260 0.000 . . . . . . . 142 Q N . 52587 1 1607 . 1 . 1 145 145 GLN NE2 N 15 107.935 0.000 . . . . . . . 142 Q NE2 . 52587 1 1608 . 1 . 1 146 146 ALA H H 1 8.802 0.000 . . . . . . . 143 A H . 52587 1 1609 . 1 . 1 146 146 ALA HA H 1 4.163 0.000 . . . . . . . 143 A HA . 52587 1 1610 . 1 . 1 146 146 ALA HB1 H 1 1.485 0.000 . . . . . . . 143 A HB1 . 52587 1 1611 . 1 . 1 146 146 ALA HB2 H 1 1.485 0.000 . . . . . . . 143 A HB2 . 52587 1 1612 . 1 . 1 146 146 ALA HB3 H 1 1.485 0.000 . . . . . . . 143 A HB3 . 52587 1 1613 . 1 . 1 146 146 ALA C C 13 182.169 0.000 . . . . . . . 143 A C . 52587 1 1614 . 1 . 1 146 146 ALA CA C 13 55.178 0.000 . . . . . . . 143 A CA . 52587 1 1615 . 1 . 1 146 146 ALA CB C 13 17.798 0.000 . . . . . . . 143 A CB . 52587 1 1616 . 1 . 1 146 146 ALA N N 15 119.762 0.000 . . . . . . . 143 A N . 52587 1 1617 . 1 . 1 147 147 GLY H H 1 8.939 0.000 . . . . . . . 144 G H . 52587 1 1618 . 1 . 1 147 147 GLY HA2 H 1 3.984 0.000 . . . . . . . 144 G HA2 . 52587 1 1619 . 1 . 1 147 147 GLY HA3 H 1 3.854 0.000 . . . . . . . 144 G HA3 . 52587 1 1620 . 1 . 1 147 147 GLY C C 13 176.065 0.000 . . . . . . . 144 G C . 52587 1 1621 . 1 . 1 147 147 GLY CA C 13 47.346 0.000 . . . . . . . 144 G CA . 52587 1 1622 . 1 . 1 147 147 GLY N N 15 111.639 0.000 . . . . . . . 144 G N . 52587 1 1623 . 1 . 1 148 148 LEU H H 1 9.045 0.000 . . . . . . . 145 L H . 52587 1 1624 . 1 . 1 148 148 LEU HA H 1 4.176 0.000 . . . . . . . 145 L HA . 52587 1 1625 . 1 . 1 148 148 LEU HB2 H 1 1.539 0.000 . . . . . . . 145 L HB2 . 52587 1 1626 . 1 . 1 148 148 LEU HB3 H 1 2.533 0.000 . . . . . . . 145 L HB3 . 52587 1 1627 . 1 . 1 148 148 LEU HG H 1 1.753 0.000 . . . . . . . 145 L HG . 52587 1 1628 . 1 . 1 148 148 LEU HD11 H 1 1.217 0.000 . . . . . . . 145 L HD11 . 52587 1 1629 . 1 . 1 148 148 LEU HD12 H 1 1.217 0.000 . . . . . . . 145 L HD12 . 52587 1 1630 . 1 . 1 148 148 LEU HD13 H 1 1.217 0.000 . . . . . . . 145 L HD13 . 52587 1 1631 . 1 . 1 148 148 LEU HD21 H 1 0.960 0.000 . . . . . . . 145 L HD21 . 52587 1 1632 . 1 . 1 148 148 LEU HD22 H 1 0.960 0.000 . . . . . . . 145 L HD22 . 52587 1 1633 . 1 . 1 148 148 LEU HD23 H 1 0.960 0.000 . . . . . . . 145 L HD23 . 52587 1 1634 . 1 . 1 148 148 LEU C C 13 172.348 0.000 . . . . . . . 145 L C . 52587 1 1635 . 1 . 1 148 148 LEU CA C 13 58.399 0.000 . . . . . . . 145 L CA . 52587 1 1636 . 1 . 1 148 148 LEU CB C 13 40.511 0.000 . . . . . . . 145 L CB . 52587 1 1637 . 1 . 1 148 148 LEU CG C 13 27.500 0.000 . . . . . . . 145 L CG . 52587 1 1638 . 1 . 1 148 148 LEU CD1 C 13 25.246 0.000 . . . . . . . 145 L CD1 . 52587 1 1639 . 1 . 1 148 148 LEU CD2 C 13 22.300 0.000 . . . . . . . 145 L CD2 . 52587 1 1640 . 1 . 1 148 148 LEU N N 15 124.424 0.000 . . . . . . . 145 L N . 52587 1 1641 . 1 . 1 149 149 ARG H H 1 8.421 0.000 . . . . . . . 146 R H . 52587 1 1642 . 1 . 1 149 149 ARG HA H 1 4.131 0.000 . . . . . . . 146 R HA . 52587 1 1643 . 1 . 1 149 149 ARG HB2 H 1 1.745 0.000 . . . . . . . 146 R HB2 . 52587 1 1644 . 1 . 1 149 149 ARG HG2 H 1 2.530 0.000 . . . . . . . 146 R HG2 . 52587 1 1645 . 1 . 1 149 149 ARG HD2 H 1 3.164 0.000 . . . . . . . 146 R HD2 . 52587 1 1646 . 1 . 1 149 149 ARG HD3 H 1 3.305 0.000 . . . . . . . 146 R HD3 . 52587 1 1647 . 1 . 1 149 149 ARG CA C 13 58.274 0.000 . . . . . . . 146 R CA . 52587 1 1648 . 1 . 1 149 149 ARG CB C 13 27.846 0.000 . . . . . . . 146 R CB . 52587 1 1649 . 1 . 1 149 149 ARG CG C 13 27.764 0.000 . . . . . . . 146 R CG . 52587 1 1650 . 1 . 1 149 149 ARG CD C 13 41.470 0.000 . . . . . . . 146 R CD . 52587 1 1651 . 1 . 1 149 149 ARG N N 15 115.426 0.000 . . . . . . . 146 R N . 52587 1 1652 . 1 . 1 150 150 ARG H H 1 8.510 0.000 . . . . . . . 147 R H . 52587 1 1653 . 1 . 1 150 150 ARG HA H 1 4.237 0.000 . . . . . . . 147 R HA . 52587 1 1654 . 1 . 1 150 150 ARG HB2 H 1 2.150 0.000 . . . . . . . 147 R HB2 . 52587 1 1655 . 1 . 1 150 150 ARG HB3 H 1 2.065 0.000 . . . . . . . 147 R HB3 . 52587 1 1656 . 1 . 1 150 150 ARG HG2 H 1 1.720 0.000 . . . . . . . 147 R HG2 . 52587 1 1657 . 1 . 1 150 150 ARG HG3 H 1 1.802 0.000 . . . . . . . 147 R HG3 . 52587 1 1658 . 1 . 1 150 150 ARG HD2 H 1 3.262 0.000 . . . . . . . 147 R HD2 . 52587 1 1659 . 1 . 1 150 150 ARG HD3 H 1 3.421 0.000 . . . . . . . 147 R HD3 . 52587 1 1660 . 1 . 1 150 150 ARG C C 13 172.575 0.000 . . . . . . . 147 R C . 52587 1 1661 . 1 . 1 150 150 ARG CA C 13 59.738 0.000 . . . . . . . 147 R CA . 52587 1 1662 . 1 . 1 150 150 ARG CB C 13 30.662 0.000 . . . . . . . 147 R CB . 52587 1 1663 . 1 . 1 150 150 ARG CG C 13 28.180 0.000 . . . . . . . 147 R CG . 52587 1 1664 . 1 . 1 150 150 ARG CD C 13 43.400 0.000 . . . . . . . 147 R CD . 52587 1 1665 . 1 . 1 150 150 ARG N N 15 122.301 0.000 . . . . . . . 147 R N . 52587 1 1666 . 1 . 1 151 151 PHE H H 1 8.662 0.000 . . . . . . . 148 F H . 52587 1 1667 . 1 . 1 151 151 PHE HA H 1 4.168 0.000 . . . . . . . 148 F HA . 52587 1 1668 . 1 . 1 151 151 PHE HB2 H 1 3.780 0.000 . . . . . . . 148 F HB2 . 52587 1 1669 . 1 . 1 151 151 PHE HB3 H 1 3.336 0.000 . . . . . . . 148 F HB3 . 52587 1 1670 . 1 . 1 151 151 PHE HD1 H 1 7.354 0.000 . . . . . . . 148 F HD1 . 52587 1 1671 . 1 . 1 151 151 PHE CA C 13 61.311 0.000 . . . . . . . 148 F CA . 52587 1 1672 . 1 . 1 151 151 PHE CB C 13 39.147 0.000 . . . . . . . 148 F CB . 52587 1 1673 . 1 . 1 151 151 PHE CD1 C 13 131.443 0.000 . . . . . . . 148 F CD1 . 52587 1 1674 . 1 . 1 151 151 PHE N N 15 122.093 0.000 . . . . . . . 148 F N . 52587 1 1675 . 1 . 1 152 152 LEU H H 1 8.238 0.000 . . . . . . . 149 L H . 52587 1 1676 . 1 . 1 152 152 LEU HA H 1 3.651 0.000 . . . . . . . 149 L HA . 52587 1 1677 . 1 . 1 152 152 LEU HB2 H 1 2.018 0.000 . . . . . . . 149 L HB2 . 52587 1 1678 . 1 . 1 152 152 LEU HB3 H 1 1.856 0.000 . . . . . . . 149 L HB3 . 52587 1 1679 . 1 . 1 152 152 LEU HG H 1 2.312 0.000 . . . . . . . 149 L HG . 52587 1 1680 . 1 . 1 152 152 LEU HD11 H 1 1.012 0.000 . . . . . . . 149 L HD11 . 52587 1 1681 . 1 . 1 152 152 LEU HD12 H 1 1.012 0.000 . . . . . . . 149 L HD12 . 52587 1 1682 . 1 . 1 152 152 LEU HD13 H 1 1.012 0.000 . . . . . . . 149 L HD13 . 52587 1 1683 . 1 . 1 152 152 LEU HD21 H 1 0.545 0.000 . . . . . . . 149 L HD21 . 52587 1 1684 . 1 . 1 152 152 LEU HD22 H 1 0.545 0.000 . . . . . . . 149 L HD22 . 52587 1 1685 . 1 . 1 152 152 LEU HD23 H 1 0.545 0.000 . . . . . . . 149 L HD23 . 52587 1 1686 . 1 . 1 152 152 LEU C C 13 172.121 0.000 . . . . . . . 149 L C . 52587 1 1687 . 1 . 1 152 152 LEU CA C 13 57.739 0.000 . . . . . . . 149 L CA . 52587 1 1688 . 1 . 1 152 152 LEU CB C 13 40.428 0.000 . . . . . . . 149 L CB . 52587 1 1689 . 1 . 1 152 152 LEU CG C 13 26.700 0.000 . . . . . . . 149 L CG . 52587 1 1690 . 1 . 1 152 152 LEU CD1 C 13 26.400 0.000 . . . . . . . 149 L CD1 . 52587 1 1691 . 1 . 1 152 152 LEU CD2 C 13 22.100 0.000 . . . . . . . 149 L CD2 . 52587 1 1692 . 1 . 1 152 152 LEU N N 15 116.313 0.000 . . . . . . . 149 L N . 52587 1 1693 . 1 . 1 153 153 ALA H H 1 8.294 0.000 . . . . . . . 150 A H . 52587 1 1694 . 1 . 1 153 153 ALA HA H 1 4.210 0.000 . . . . . . . 150 A HA . 52587 1 1695 . 1 . 1 153 153 ALA HB1 H 1 1.566 0.000 . . . . . . . 150 A HB1 . 52587 1 1696 . 1 . 1 153 153 ALA HB2 H 1 1.566 0.000 . . . . . . . 150 A HB2 . 52587 1 1697 . 1 . 1 153 153 ALA HB3 H 1 1.566 0.000 . . . . . . . 150 A HB3 . 52587 1 1698 . 1 . 1 153 153 ALA C C 13 181.783 0.000 . . . . . . . 150 A C . 52587 1 1699 . 1 . 1 153 153 ALA CA C 13 54.983 0.000 . . . . . . . 150 A CA . 52587 1 1700 . 1 . 1 153 153 ALA CB C 13 17.863 0.000 . . . . . . . 150 A CB . 52587 1 1701 . 1 . 1 153 153 ALA N N 15 120.914 0.000 . . . . . . . 150 A N . 52587 1 1702 . 1 . 1 154 154 ALA H H 1 8.102 0.000 . . . . . . . 151 A H . 52587 1 1703 . 1 . 1 154 154 ALA HA H 1 4.035 0.000 . . . . . . . 151 A HA . 52587 1 1704 . 1 . 1 154 154 ALA HB1 H 1 0.897 0.000 . . . . . . . 151 A HB1 . 52587 1 1705 . 1 . 1 154 154 ALA HB2 H 1 0.897 0.000 . . . . . . . 151 A HB2 . 52587 1 1706 . 1 . 1 154 154 ALA HB3 H 1 0.897 0.000 . . . . . . . 151 A HB3 . 52587 1 1707 . 1 . 1 154 154 ALA C C 13 171.949 0.000 . . . . . . . 151 A C . 52587 1 1708 . 1 . 1 154 154 ALA CA C 13 54.405 0.000 . . . . . . . 151 A CA . 52587 1 1709 . 1 . 1 154 154 ALA CB C 13 17.489 0.000 . . . . . . . 151 A CB . 52587 1 1710 . 1 . 1 154 154 ALA N N 15 122.104 0.000 . . . . . . . 151 A N . 52587 1 1711 . 1 . 1 155 155 LEU H H 1 7.082 0.000 . . . . . . . 152 L H . 52587 1 1712 . 1 . 1 155 155 LEU HA H 1 4.267 0.000 . . . . . . . 152 L HA . 52587 1 1713 . 1 . 1 155 155 LEU HB2 H 1 1.566 0.000 . . . . . . . 152 L HB2 . 52587 1 1714 . 1 . 1 155 155 LEU HB3 H 1 1.434 0.000 . . . . . . . 152 L HB3 . 52587 1 1715 . 1 . 1 155 155 LEU HG H 1 1.258 0.000 . . . . . . . 152 L HG . 52587 1 1716 . 1 . 1 155 155 LEU HD11 H 1 -0.123 0.000 . . . . . . . 152 L HD11 . 52587 1 1717 . 1 . 1 155 155 LEU HD12 H 1 -0.123 0.000 . . . . . . . 152 L HD12 . 52587 1 1718 . 1 . 1 155 155 LEU HD13 H 1 -0.123 0.000 . . . . . . . 152 L HD13 . 52587 1 1719 . 1 . 1 155 155 LEU HD21 H 1 0.419 0.000 . . . . . . . 152 L HD21 . 52587 1 1720 . 1 . 1 155 155 LEU HD22 H 1 0.419 0.000 . . . . . . . 152 L HD22 . 52587 1 1721 . 1 . 1 155 155 LEU HD23 H 1 0.419 0.000 . . . . . . . 152 L HD23 . 52587 1 1722 . 1 . 1 155 155 LEU C C 13 174.186 0.000 . . . . . . . 152 L C . 52587 1 1723 . 1 . 1 155 155 LEU CA C 13 54.356 0.000 . . . . . . . 152 L CA . 52587 1 1724 . 1 . 1 155 155 LEU CB C 13 43.277 0.000 . . . . . . . 152 L CB . 52587 1 1725 . 1 . 1 155 155 LEU CG C 13 25.600 0.000 . . . . . . . 152 L CG . 52587 1 1726 . 1 . 1 155 155 LEU CD1 C 13 26.562 0.000 . . . . . . . 152 L CD1 . 52587 1 1727 . 1 . 1 155 155 LEU CD2 C 13 23.306 0.000 . . . . . . . 152 L CD2 . 52587 1 1728 . 1 . 1 155 155 LEU N N 15 116.139 0.000 . . . . . . . 152 L N . 52587 1 1729 . 1 . 1 156 156 GLY H H 1 7.862 0.000 . . . . . . . 153 G H . 52587 1 1730 . 1 . 1 156 156 GLY HA2 H 1 4.027 0.000 . . . . . . . 153 G HA2 . 52587 1 1731 . 1 . 1 156 156 GLY HA3 H 1 3.849 0.000 . . . . . . . 153 G HA3 . 52587 1 1732 . 1 . 1 156 156 GLY C C 13 176.720 0.000 . . . . . . . 153 G C . 52587 1 1733 . 1 . 1 156 156 GLY CA C 13 46.084 0.000 . . . . . . . 153 G CA . 52587 1 1734 . 1 . 1 156 156 GLY N N 15 108.958 0.000 . . . . . . . 153 G N . 52587 1 1735 . 1 . 1 157 157 VAL H H 1 7.971 0.000 . . . . . . . 154 V H . 52587 1 1736 . 1 . 1 157 157 VAL HA H 1 4.032 0.000 . . . . . . . 154 V HA . 52587 1 1737 . 1 . 1 157 157 VAL HB H 1 1.860 0.000 . . . . . . . 154 V HB . 52587 1 1738 . 1 . 1 157 157 VAL HG11 H 1 0.815 0.000 . . . . . . . 154 V HG11 . 52587 1 1739 . 1 . 1 157 157 VAL HG12 H 1 0.815 0.000 . . . . . . . 154 V HG12 . 52587 1 1740 . 1 . 1 157 157 VAL HG13 H 1 0.815 0.000 . . . . . . . 154 V HG13 . 52587 1 1741 . 1 . 1 157 157 VAL HG21 H 1 0.889 0.000 . . . . . . . 154 V HG21 . 52587 1 1742 . 1 . 1 157 157 VAL HG22 H 1 0.889 0.000 . . . . . . . 154 V HG22 . 52587 1 1743 . 1 . 1 157 157 VAL HG23 H 1 0.889 0.000 . . . . . . . 154 V HG23 . 52587 1 1744 . 1 . 1 157 157 VAL C C 13 176.735 0.000 . . . . . . . 154 V C . 52587 1 1745 . 1 . 1 157 157 VAL CA C 13 61.686 0.000 . . . . . . . 154 V CA . 52587 1 1746 . 1 . 1 157 157 VAL CB C 13 33.190 0.000 . . . . . . . 154 V CB . 52587 1 1747 . 1 . 1 157 157 VAL CG1 C 13 21.583 0.000 . . . . . . . 154 V CG1 . 52587 1 1748 . 1 . 1 157 157 VAL CG2 C 13 21.580 0.000 . . . . . . . 154 V CG2 . 52587 1 1749 . 1 . 1 157 157 VAL N N 15 121.420 0.000 . . . . . . . 154 V N . 52587 1 1750 . 1 . 1 158 158 GLU H H 1 8.770 0.000 . . . . . . . 155 E H . 52587 1 1751 . 1 . 1 158 158 GLU HA H 1 5.010 0.000 . . . . . . . 155 E HA . 52587 1 1752 . 1 . 1 158 158 GLU HB2 H 1 2.050 0.000 . . . . . . . 155 E HB2 . 52587 1 1753 . 1 . 1 158 158 GLU HG2 H 1 2.260 0.000 . . . . . . . 155 E HG2 . 52587 1 1754 . 1 . 1 158 158 GLU C C 13 178.449 0.000 . . . . . . . 155 E C . 52587 1 1755 . 1 . 1 158 158 GLU CA C 13 52.157 0.000 . . . . . . . 155 E CA . 52587 1 1756 . 1 . 1 158 158 GLU CB C 13 29.990 0.000 . . . . . . . 155 E CB . 52587 1 1757 . 1 . 1 158 158 GLU CG C 13 35.730 0.000 . . . . . . . 155 E CG . 52587 1 1758 . 1 . 1 158 158 GLU N N 15 129.270 0.000 . . . . . . . 155 E N . 52587 1 1759 . 1 . 1 159 159 PRO HA H 1 4.696 0.000 . . . . . . . 156 P HA . 52587 1 1760 . 1 . 1 159 159 PRO HB2 H 1 2.160 0.000 . . . . . . . 156 P HB2 . 52587 1 1761 . 1 . 1 159 159 PRO HB3 H 1 1.786 0.000 . . . . . . . 156 P HB3 . 52587 1 1762 . 1 . 1 159 159 PRO HG2 H 1 2.231 0.000 . . . . . . . 156 P HG2 . 52587 1 1763 . 1 . 1 159 159 PRO HG3 H 1 1.892 0.000 . . . . . . . 156 P HG3 . 52587 1 1764 . 1 . 1 159 159 PRO HD2 H 1 3.980 0.000 . . . . . . . 156 P HD2 . 52587 1 1765 . 1 . 1 159 159 PRO HD3 H 1 4.220 0.000 . . . . . . . 156 P HD3 . 52587 1 1766 . 1 . 1 159 159 PRO C C 13 175.789 0.000 . . . . . . . 156 P C . 52587 1 1767 . 1 . 1 159 159 PRO CA C 13 62.275 0.000 . . . . . . . 156 P CA . 52587 1 1768 . 1 . 1 159 159 PRO CB C 13 32.376 0.000 . . . . . . . 156 P CB . 52587 1 1769 . 1 . 1 159 159 PRO CG C 13 26.569 0.000 . . . . . . . 156 P CG . 52587 1 1770 . 1 . 1 159 159 PRO CD C 13 50.770 0.000 . . . . . . . 156 P CD . 52587 1 1771 . 1 . 1 160 160 MET H H 1 8.374 0.000 . . . . . . . 157 M H . 52587 1 1772 . 1 . 1 160 160 MET HA H 1 4.672 0.000 . . . . . . . 157 M HA . 52587 1 1773 . 1 . 1 160 160 MET HB2 H 1 2.329 0.000 . . . . . . . 157 M HB2 . 52587 1 1774 . 1 . 1 160 160 MET HB3 H 1 2.179 0.000 . . . . . . . 157 M HB3 . 52587 1 1775 . 1 . 1 160 160 MET HG2 H 1 2.726 0.000 . . . . . . . 157 M HG2 . 52587 1 1776 . 1 . 1 160 160 MET HG3 H 1 2.302 0.000 . . . . . . . 157 M HG3 . 52587 1 1777 . 1 . 1 160 160 MET C C 13 176.633 0.000 . . . . . . . 157 M C . 52587 1 1778 . 1 . 1 160 160 MET CA C 13 55.511 0.000 . . . . . . . 157 M CA . 52587 1 1779 . 1 . 1 160 160 MET CB C 13 34.846 0.000 . . . . . . . 157 M CB . 52587 1 1780 . 1 . 1 160 160 MET CG C 13 31.400 0.000 . . . . . . . 157 M CG . 52587 1 1781 . 1 . 1 160 160 MET N N 15 123.688 0.000 . . . . . . . 157 M N . 52587 1 1782 . 1 . 1 161 161 ILE H H 1 9.013 0.000 . . . . . . . 158 I H . 52587 1 1783 . 1 . 1 161 161 ILE HA H 1 5.154 0.000 . . . . . . . 158 I HA . 52587 1 1784 . 1 . 1 161 161 ILE HB H 1 1.856 0.000 . . . . . . . 158 I HB . 52587 1 1785 . 1 . 1 161 161 ILE HG12 H 1 1.635 0.000 . . . . . . . 158 I HG12 . 52587 1 1786 . 1 . 1 161 161 ILE HG13 H 1 0.992 0.000 . . . . . . . 158 I HG13 . 52587 1 1787 . 1 . 1 161 161 ILE HG21 H 1 0.717 0.000 . . . . . . . 158 I HG21 . 52587 1 1788 . 1 . 1 161 161 ILE HG22 H 1 0.717 0.000 . . . . . . . 158 I HG22 . 52587 1 1789 . 1 . 1 161 161 ILE HG23 H 1 0.717 0.000 . . . . . . . 158 I HG23 . 52587 1 1790 . 1 . 1 161 161 ILE HD11 H 1 0.843 0.000 . . . . . . . 158 I HD11 . 52587 1 1791 . 1 . 1 161 161 ILE HD12 H 1 0.843 0.000 . . . . . . . 158 I HD12 . 52587 1 1792 . 1 . 1 161 161 ILE HD13 H 1 0.843 0.000 . . . . . . . 158 I HD13 . 52587 1 1793 . 1 . 1 161 161 ILE C C 13 175.850 0.000 . . . . . . . 158 I C . 52587 1 1794 . 1 . 1 161 161 ILE CA C 13 60.408 0.000 . . . . . . . 158 I CA . 52587 1 1795 . 1 . 1 161 161 ILE CB C 13 36.543 0.000 . . . . . . . 158 I CB . 52587 1 1796 . 1 . 1 161 161 ILE CG1 C 13 27.900 0.000 . . . . . . . 158 I CG1 . 52587 1 1797 . 1 . 1 161 161 ILE CG2 C 13 17.100 0.000 . . . . . . . 158 I CG2 . 52587 1 1798 . 1 . 1 161 161 ILE CD1 C 13 12.338 0.000 . . . . . . . 158 I CD1 . 52587 1 1799 . 1 . 1 161 161 ILE N N 15 129.293 0.000 . . . . . . . 158 I N . 52587 1 1800 . 1 . 1 162 162 VAL H H 1 8.051 0.000 . . . . . . . 159 V H . 52587 1 1801 . 1 . 1 162 162 VAL HA H 1 4.285 0.000 . . . . . . . 159 V HA . 52587 1 1802 . 1 . 1 162 162 VAL HB H 1 1.006 0.000 . . . . . . . 159 V HB . 52587 1 1803 . 1 . 1 162 162 VAL HG11 H 1 -0.370 0.000 . . . . . . . 159 V HG11 . 52587 1 1804 . 1 . 1 162 162 VAL HG12 H 1 -0.370 0.000 . . . . . . . 159 V HG12 . 52587 1 1805 . 1 . 1 162 162 VAL HG13 H 1 -0.370 0.000 . . . . . . . 159 V HG13 . 52587 1 1806 . 1 . 1 162 162 VAL HG21 H 1 0.451 0.000 . . . . . . . 159 V HG21 . 52587 1 1807 . 1 . 1 162 162 VAL HG22 H 1 0.451 0.000 . . . . . . . 159 V HG22 . 52587 1 1808 . 1 . 1 162 162 VAL HG23 H 1 0.451 0.000 . . . . . . . 159 V HG23 . 52587 1 1809 . 1 . 1 162 162 VAL C C 13 177.189 0.000 . . . . . . . 159 V C . 52587 1 1810 . 1 . 1 162 162 VAL CA C 13 60.508 0.000 . . . . . . . 159 V CA . 52587 1 1811 . 1 . 1 162 162 VAL CB C 13 35.879 0.000 . . . . . . . 159 V CB . 52587 1 1812 . 1 . 1 162 162 VAL CG1 C 13 19.206 0.000 . . . . . . . 159 V CG1 . 52587 1 1813 . 1 . 1 162 162 VAL CG2 C 13 23.130 0.000 . . . . . . . 159 V CG2 . 52587 1 1814 . 1 . 1 162 162 VAL N N 15 126.861 0.000 . . . . . . . 159 V N . 52587 1 1815 . 1 . 1 163 163 ASP H H 1 8.664 0.000 . . . . . . . 160 D H . 52587 1 1816 . 1 . 1 163 163 ASP HA H 1 4.899 0.000 . . . . . . . 160 D HA . 52587 1 1817 . 1 . 1 163 163 ASP HB2 H 1 2.988 0.000 . . . . . . . 160 D HB2 . 52587 1 1818 . 1 . 1 163 163 ASP HB3 H 1 2.406 0.000 . . . . . . . 160 D HB3 . 52587 1 1819 . 1 . 1 163 163 ASP C C 13 174.552 0.000 . . . . . . . 160 D C . 52587 1 1820 . 1 . 1 163 163 ASP CA C 13 52.290 0.000 . . . . . . . 160 D CA . 52587 1 1821 . 1 . 1 163 163 ASP CB C 13 41.544 0.000 . . . . . . . 160 D CB . 52587 1 1822 . 1 . 1 163 163 ASP N N 15 126.378 0.000 . . . . . . . 160 D N . 52587 1 1823 . 1 . 1 164 164 PHE H H 1 9.242 0.000 . . . . . . . 161 F H . 52587 1 1824 . 1 . 1 164 164 PHE HA H 1 4.133 0.000 . . . . . . . 161 F HA . 52587 1 1825 . 1 . 1 164 164 PHE HB2 H 1 3.363 0.000 . . . . . . . 161 F HB2 . 52587 1 1826 . 1 . 1 164 164 PHE HB3 H 1 2.889 0.000 . . . . . . . 161 F HB3 . 52587 1 1827 . 1 . 1 164 164 PHE HD1 H 1 7.508 0.000 . . . . . . . 161 F HD1 . 52587 1 1828 . 1 . 1 164 164 PHE HE1 H 1 7.040 0.000 . . . . . . . 161 F HE1 . 52587 1 1829 . 1 . 1 164 164 PHE C C 13 175.511 0.000 . . . . . . . 161 F C . 52587 1 1830 . 1 . 1 164 164 PHE CA C 13 61.753 0.000 . . . . . . . 161 F CA . 52587 1 1831 . 1 . 1 164 164 PHE CB C 13 39.193 0.000 . . . . . . . 161 F CB . 52587 1 1832 . 1 . 1 164 164 PHE CE1 C 13 127.615 0.000 . . . . . . . 161 F CE1 . 52587 1 1833 . 1 . 1 164 164 PHE N N 15 126.085 0.000 . . . . . . . 161 F N . 52587 1 1834 . 1 . 1 165 165 ALA H H 1 8.312 0.000 . . . . . . . 162 A H . 52587 1 1835 . 1 . 1 165 165 ALA HA H 1 4.464 0.000 . . . . . . . 162 A HA . 52587 1 1836 . 1 . 1 165 165 ALA HB1 H 1 1.612 0.000 . . . . . . . 162 A HB1 . 52587 1 1837 . 1 . 1 165 165 ALA HB2 H 1 1.612 0.000 . . . . . . . 162 A HB2 . 52587 1 1838 . 1 . 1 165 165 ALA HB3 H 1 1.612 0.000 . . . . . . . 162 A HB3 . 52587 1 1839 . 1 . 1 165 165 ALA C C 13 172.320 0.000 . . . . . . . 162 A C . 52587 1 1840 . 1 . 1 165 165 ALA CA C 13 54.250 0.000 . . . . . . . 162 A CA . 52587 1 1841 . 1 . 1 165 165 ALA CB C 13 18.336 0.000 . . . . . . . 162 A CB . 52587 1 1842 . 1 . 1 165 165 ALA N N 15 123.520 0.000 . . . . . . . 162 A N . 52587 1 1843 . 1 . 1 166 166 ALA H H 1 7.666 0.000 . . . . . . . 163 A H . 52587 1 1844 . 1 . 1 166 166 ALA HA H 1 4.182 0.000 . . . . . . . 163 A HA . 52587 1 1845 . 1 . 1 166 166 ALA HB1 H 1 1.258 0.000 . . . . . . . 163 A HB1 . 52587 1 1846 . 1 . 1 166 166 ALA HB2 H 1 1.258 0.000 . . . . . . . 163 A HB2 . 52587 1 1847 . 1 . 1 166 166 ALA HB3 H 1 1.258 0.000 . . . . . . . 163 A HB3 . 52587 1 1848 . 1 . 1 166 166 ALA C C 13 174.094 0.000 . . . . . . . 163 A C . 52587 1 1849 . 1 . 1 166 166 ALA CA C 13 52.093 0.000 . . . . . . . 163 A CA . 52587 1 1850 . 1 . 1 166 166 ALA CB C 13 19.298 0.000 . . . . . . . 163 A CB . 52587 1 1851 . 1 . 1 166 166 ALA N N 15 119.770 0.000 . . . . . . . 163 A N . 52587 1 1852 . 1 . 1 167 167 MET H H 1 7.919 0.000 . . . . . . . 164 M H . 52587 1 1853 . 1 . 1 167 167 MET HA H 1 3.903 0.000 . . . . . . . 164 M HA . 52587 1 1854 . 1 . 1 167 167 MET HB2 H 1 2.374 0.000 . . . . . . . 164 M HB2 . 52587 1 1855 . 1 . 1 167 167 MET HB3 H 1 1.899 0.000 . . . . . . . 164 M HB3 . 52587 1 1856 . 1 . 1 167 167 MET HG2 H 1 2.513 0.000 . . . . . . . 164 M HG2 . 52587 1 1857 . 1 . 1 167 167 MET HE1 H 1 2.060 0.000 . . . . . . . 164 M HE1 . 52587 1 1858 . 1 . 1 167 167 MET HE2 H 1 2.060 0.000 . . . . . . . 164 M HE2 . 52587 1 1859 . 1 . 1 167 167 MET HE3 H 1 2.060 0.000 . . . . . . . 164 M HE3 . 52587 1 1860 . 1 . 1 167 167 MET C C 13 177.339 0.000 . . . . . . . 164 M C . 52587 1 1861 . 1 . 1 167 167 MET CA C 13 55.087 0.000 . . . . . . . 164 M CA . 52587 1 1862 . 1 . 1 167 167 MET CB C 13 28.730 0.000 . . . . . . . 164 M CB . 52587 1 1863 . 1 . 1 167 167 MET CG C 13 33.171 0.000 . . . . . . . 164 M CG . 52587 1 1864 . 1 . 1 167 167 MET CE C 13 17.690 0.000 . . . . . . . 164 M CE . 52587 1 1865 . 1 . 1 167 167 MET N N 15 114.396 0.000 . . . . . . . 164 M N . 52587 1 1866 . 1 . 1 168 168 GLU H H 1 7.588 0.000 . . . . . . . 165 E H . 52587 1 1867 . 1 . 1 168 168 GLU HA H 1 4.621 0.000 . . . . . . . 165 E HA . 52587 1 1868 . 1 . 1 168 168 GLU HB2 H 1 1.953 0.000 . . . . . . . 165 E HB2 . 52587 1 1869 . 1 . 1 168 168 GLU HB3 H 1 1.668 0.000 . . . . . . . 165 E HB3 . 52587 1 1870 . 1 . 1 168 168 GLU HG2 H 1 1.680 0.000 . . . . . . . 165 E HG2 . 52587 1 1871 . 1 . 1 168 168 GLU HG3 H 1 2.170 0.000 . . . . . . . 165 E HG3 . 52587 1 1872 . 1 . 1 168 168 GLU C C 13 176.539 0.000 . . . . . . . 165 E C . 52587 1 1873 . 1 . 1 168 168 GLU CA C 13 54.711 0.000 . . . . . . . 165 E CA . 52587 1 1874 . 1 . 1 168 168 GLU CB C 13 34.272 0.000 . . . . . . . 165 E CB . 52587 1 1875 . 1 . 1 168 168 GLU CG C 13 35.730 0.000 . . . . . . . 165 E CG . 52587 1 1876 . 1 . 1 168 168 GLU N N 15 115.953 0.000 . . . . . . . 165 E N . 52587 1 1877 . 1 . 1 169 169 VAL H H 1 8.698 0.000 . . . . . . . 166 V H . 52587 1 1878 . 1 . 1 169 169 VAL HA H 1 4.169 0.000 . . . . . . . 166 V HA . 52587 1 1879 . 1 . 1 169 169 VAL HB H 1 2.030 0.000 . . . . . . . 166 V HB . 52587 1 1880 . 1 . 1 169 169 VAL HG11 H 1 0.985 0.000 . . . . . . . 166 V HG11 . 52587 1 1881 . 1 . 1 169 169 VAL HG12 H 1 0.985 0.000 . . . . . . . 166 V HG12 . 52587 1 1882 . 1 . 1 169 169 VAL HG13 H 1 0.985 0.000 . . . . . . . 166 V HG13 . 52587 1 1883 . 1 . 1 169 169 VAL HG21 H 1 0.910 0.000 . . . . . . . 166 V HG21 . 52587 1 1884 . 1 . 1 169 169 VAL HG22 H 1 0.910 0.000 . . . . . . . 166 V HG22 . 52587 1 1885 . 1 . 1 169 169 VAL HG23 H 1 0.910 0.000 . . . . . . . 166 V HG23 . 52587 1 1886 . 1 . 1 169 169 VAL CA C 13 63.219 0.000 . . . . . . . 166 V CA . 52587 1 1887 . 1 . 1 169 169 VAL CB C 13 32.032 0.000 . . . . . . . 166 V CB . 52587 1 1888 . 1 . 1 169 169 VAL CG1 C 13 21.800 0.000 . . . . . . . 166 V CG1 . 52587 1 1889 . 1 . 1 169 169 VAL CG2 C 13 22.600 0.000 . . . . . . . 166 V CG2 . 52587 1 1890 . 1 . 1 169 169 VAL N N 15 123.944 0.000 . . . . . . . 166 V N . 52587 1 1891 . 1 . 1 170 170 VAL H H 1 8.682 0.000 . . . . . . . 167 V H . 52587 1 1892 . 1 . 1 170 170 VAL HA H 1 4.398 0.000 . . . . . . . 167 V HA . 52587 1 1893 . 1 . 1 170 170 VAL HB H 1 2.219 0.000 . . . . . . . 167 V HB . 52587 1 1894 . 1 . 1 170 170 VAL HG11 H 1 0.925 0.000 . . . . . . . 167 V HG11 . 52587 1 1895 . 1 . 1 170 170 VAL HG12 H 1 0.925 0.000 . . . . . . . 167 V HG12 . 52587 1 1896 . 1 . 1 170 170 VAL HG13 H 1 0.925 0.000 . . . . . . . 167 V HG13 . 52587 1 1897 . 1 . 1 170 170 VAL HG21 H 1 0.828 0.000 . . . . . . . 167 V HG21 . 52587 1 1898 . 1 . 1 170 170 VAL HG22 H 1 0.828 0.000 . . . . . . . 167 V HG22 . 52587 1 1899 . 1 . 1 170 170 VAL HG23 H 1 0.828 0.000 . . . . . . . 167 V HG23 . 52587 1 1900 . 1 . 1 170 170 VAL CA C 13 61.364 0.000 . . . . . . . 167 V CA . 52587 1 1901 . 1 . 1 170 170 VAL CB C 13 32.544 0.000 . . . . . . . 167 V CB . 52587 1 1902 . 1 . 1 170 170 VAL CG1 C 13 21.500 0.000 . . . . . . . 167 V CG1 . 52587 1 1903 . 1 . 1 170 170 VAL CG2 C 13 20.286 0.000 . . . . . . . 167 V CG2 . 52587 1 1904 . 1 . 1 170 170 VAL N N 15 124.617 0.000 . . . . . . . 167 V N . 52587 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 52587 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name 15N-edited-NOESY _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 11 _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details 'Peaklist with assignments from CYANA. NUS reconstruction applied to raw data' _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; label dataset sw sf HN 15N 1Hz 15Ne-NOESY-corrected.nv {4915.50976562} {3242.54199219} {11210.7617187} {800.133972168} {81.0859985352} {800.133972168} HN.L HN.P HN.W HN.B 15N.L 15N.P 15N.W 15N.B 1Hz.L 1Hz.P 1Hz.W 1Hz.B vol int stat flag0 0 {?} 9.570 0.024 0.019 {?} 134.684 0.067 0.045 {?} 11.717 0.907 0.607 2.725 29.835 0 0 1 {?} 9.523 0.024 0.019 {?} 134.708 0.067 0.045 {?} 0.920 0.907 0.607 79.820 29.835 0 0 2 {?} 9.575 0.024 0.019 {?} 134.634 0.067 0.045 {?} -0.395 0.907 0.607 46.214 29.835 0 0 3 {?} 9.575 0.024 0.019 {?} 134.565 0.067 0.045 {?} 9.583 0.907 0.607 2546.353 29.835 0 0 4 {?} 9.575 0.022 0.045 {?} 134.529 0.126 0.181 {?} 9.256 0.785 1.828 209.545 14.625 0 0 5 {?} 9.577 0.046 0.112 {?} 134.605 0.053 0.228 {?} 8.678 0.983 1.952 207.424 40.052 0 0 6 {?} 9.575 0.046 0.112 {?} 134.570 0.053 0.228 {?} 8.359 0.983 1.952 854.257 40.052 0 0 7 {?} 9.577 0.046 0.112 {?} 134.516 0.053 0.228 {?} 8.183 0.983 1.952 194.582 40.052 0 0 8 {?} 9.578 0.032 0.081 {?} 134.569 0.211 0.301 {?} 8.067 1.199 1.713 336.139 41.012 0 0 9 {?} 9.575 0.032 0.081 {?} 134.522 0.211 0.301 {?} 7.496 1.199 1.713 662.339 10.535 0 0 10 {?} 9.581 0.032 0.081 {?} 134.615 0.211 0.301 {?} 7.213 1.199 1.713 84.053 2.938 0 0 11 {?} 9.576 0.032 0.081 {?} 134.532 0.211 0.301 {?} 7.010 1.199 1.713 638.203 3.111 0 0 12 {?} 9.523 0.033 0.051 {?} 134.581 0.087 0.344 {?} 7.007 0.696 1.017 41.970 9.085 0 0 13 {?} 9.577 0.054 0.109 {?} 134.523 0.149 0.274 {?} 6.821 1.101 2.003 180.519 2.338 0 0 14 {?} 9.576 0.048 0.088 {?} 134.581 0.126 0.181 {?} 4.862 1.115 1.650 75.654 9.790 0 0 15 {?} 9.580 0.022 0.026 {?} 134.513 0.172 0.199 {?} 4.685 0.762 0.950 97.091 12.122 0 0 16 {?} 9.574 0.022 0.026 {?} 134.582 0.172 0.199 {?} 4.444 0.762 0.950 176.509 8.274 0 0 17 {?} 9.570 0.031 0.085 {?} 134.606 0.100 0.314 {?} 4.313 0.935 1.336 140.990 37.365 0 0 18 {?} 9.574 0.046 0.051 {?} 134.566 0.120 0.171 {?} 3.776 1.081 1.216 804.232 3.655 0 0 19 {?} 9.575 0.046 0.051 {?} 134.567 0.120 0.171 {?} 3.180 1.081 1.216 908.935 3.655 0 0 20 {?} 9.574 0.035 0.088 {?} 134.578 0.190 0.272 {?} 3.008 0.812 2.082 160.561 2.533 0 0 21 {?} 9.575 0.029 0.063 {?} 134.557 0.085 0.266 {?} 2.343 0.868 1.987 439.606 5.135 0 0 22 {?} 9.576 0.029 0.063 {?} 134.566 0.085 0.266 {?} 2.030 0.868 1.987 1534.445 6.375 0 0 23 {?} 9.576 0.023 0.051 {?} 134.572 0.085 0.181 {?} 1.805 0.816 2.313 658.992 21.353 0 0 24 {?} 9.575 0.037 0.052 {?} 134.566 0.079 0.165 {?} 1.490 0.646 0.568 4090.210 23.933 0 0 25 {?} 9.574 0.051 0.084 {?} 134.563 0.116 0.227 {?} 1.160 1.087 1.886 21.299 7.163 0 0 26 {?} 9.575 0.051 0.084 {?} 134.565 0.116 0.227 {?} 0.924 1.087 1.886 1296.299 4.709 0 0 27 {?} 9.575 0.051 0.084 {?} 134.577 0.116 0.227 {?} 0.760 1.087 1.886 1896.523 3.110 0 0 28 {?} 9.523 0.049 0.078 {?} 134.586 0.164 0.234 {?} 0.751 0.701 1.203 124.088 17.234 0 0 29 {?} 9.570 0.049 0.078 {?} 134.574 0.164 0.234 {?} 0.511 0.701 1.203 30.127 2.419 0 0 30 {?} 9.663 0.049 0.078 {?} 134.393 0.164 0.234 {?} -2.200 0.701 1.203 108.220 7.464 0 0 31 {?} 9.519 0.031 0.044 {?} 134.510 0.108 0.154 {?} -2.181 0.940 1.344 20.902 11.830 0 0 32 {?} 5.443 0.031 0.044 {?} 132.388 0.108 0.154 {?} 0.644 0.940 1.344 5.230 2.271 0 0 33 {?} 8.766 0.031 0.044 {?} 131.994 0.108 0.154 {?} 8.765 0.940 1.344 2.697 11.763 0 0 34 {?} 8.107 0.031 0.044 {?} 131.904 0.108 0.154 {?} 8.094 0.940 1.344 20.655 11.264 0 0 35 {21.H 21.H} 9.299 0.031 0.044 {21.N 21.N} 131.689 0.108 0.154 {138.H 139.H} 9.500 0.940 1.344 434.549 14.479 0 0 36 {21.H} 9.299 0.031 0.044 {21.N} 131.671 0.108 0.154 {21.H} 9.300 0.940 1.344 4122.891 15.802 0 0 37 {?} 9.298 0.059 0.078 {?} 131.659 0.072 0.243 {?} 9.171 0.847 1.385 2040.107 6.422 0 0 38 {21.H} 9.293 0.030 0.075 {21.N} 131.600 0.195 0.279 {20.H} 8.748 1.266 1.808 147.233 3.572 0 0 39 {21.H} 9.300 0.029 0.068 {21.N} 131.658 0.122 0.174 {22.H} 8.550 0.842 1.805 481.809 15.039 0 0 40 {?} 7.973 0.029 0.068 {?} 131.569 0.122 0.174 {?} 7.719 0.842 1.805 33.093 7.965 0 0 41 {?} 9.298 0.029 0.068 {?} 131.688 0.122 0.174 {?} 7.293 0.842 1.805 307.178 3.673 0 0 42 {?} 9.299 0.029 0.068 {?} 131.640 0.122 0.174 {?} 6.635 0.842 1.805 57.786 2.123 0 0 43 {21.H} 9.298 0.026 0.037 {21.N} 131.697 0.131 0.203 {138.HA} 5.333 1.233 1.841 306.100 3.030 0 0 44 {?} 9.299 0.031 0.085 {?} 131.674 0.084 0.181 {?} 5.185 1.246 1.780 1018.470 3.061 0 0 45 {?} 9.299 0.058 0.075 {?} 131.674 0.100 0.139 {?} 5.059 1.079 1.438 700.423 2.818 0 0 46 {?} 9.298 0.058 0.075 {?} 131.686 0.100 0.139 {?} 4.757 1.079 1.438 730.588 8.548 0 0 47 {?} 9.297 0.058 0.075 {?} 131.677 0.100 0.139 {?} 4.627 1.079 1.438 354.788 6.589 0 0 48 {21.H} 9.298 0.057 0.084 {21.N} 131.678 0.115 0.179 {137.HB} 4.224 1.330 1.850 294.166 3.597 0 0 49 {21.H} 9.297 0.025 0.048 {21.N} 131.674 0.154 0.234 {20.HB} 3.853 0.816 1.863 398.222 2.870 0 0 50 {?} 9.305 0.030 0.091 {?} 131.614 0.083 0.235 {?} 3.134 1.149 2.109 187.592 9.243 0 0 51 {21.H} 9.302 0.030 0.091 {21.N} 131.622 0.083 0.235 {23.HB3} 2.979 1.149 2.109 123.662 9.243 0 0 52 {?} 9.296 0.030 0.091 {?} 131.749 0.083 0.235 {?} 2.677 1.149 2.109 79.503 9.243 0 0 53 {?} 9.297 0.030 0.091 {?} 131.676 0.083 0.235 {?} 2.444 1.149 2.109 314.546 7.098 0 0 54 {21.H} 9.298 0.030 0.091 {21.N} 131.667 0.083 0.235 {21.HB2} 2.124 1.149 2.109 3024.342 7.098 0 0 55 {21.H} 9.299 0.030 0.091 {21.N} 131.667 0.083 0.235 {21.HB3} 1.757 1.149 2.109 1988.643 7.098 0 0 56 {?} 9.297 0.030 0.091 {?} 131.677 0.083 0.235 {?} 1.347 1.149 2.109 1432.905 1.959 0 0 57 {?} 9.298 0.032 0.054 {?} 131.673 0.146 0.227 {?} 1.187 0.839 1.441 4068.719 13.850 0 0 58 {?} 7.973 0.032 0.054 {?} 131.466 0.146 0.227 {?} 7.972 0.839 1.441 2827.978 13.850 0 0 59 {?} 7.976 0.032 0.054 {?} 131.454 0.146 0.227 {?} 7.833 0.839 1.441 170.859 13.850 0 0 60 {116.H} 9.191 0.028 0.050 {116.N} 131.084 0.166 0.283 {116.H} 9.190 1.054 2.264 4003.501 4.863 0 0 61 {?} 9.190 0.010 0.009 {?} 131.084 0.126 0.039 {?} 8.817 0.513 0.343 1571.854 10.183 0 0 62 {116.H} 9.193 0.010 0.009 {116.N} 131.160 0.126 0.039 {157.H} 8.409 0.513 0.343 254.823 10.183 0 0 63 {?} 9.192 0.010 0.009 {?} 131.134 0.126 0.039 {?} 7.501 0.513 0.343 505.232 10.183 0 0 64 {116.H} 9.191 0.016 0.022 {116.N} 131.087 0.131 0.105 {115.HD1} 7.112 0.863 0.671 2094.947 10.180 0 0 65 {?} 9.191 0.016 0.022 {?} 131.093 0.131 0.105 {?} 5.880 0.863 0.671 1811.297 10.180 0 0 66 {?} 9.192 0.016 0.022 {?} 131.127 0.131 0.105 {?} 5.133 0.863 0.671 81.098 10.180 0 0 67 {?} 9.191 0.016 0.022 {?} 130.996 0.131 0.105 {?} 5.036 0.863 0.671 187.027 7.847 0 0 68 {116.H} 9.194 0.013 0.030 {116.N} 131.033 0.082 0.085 {117.HA} 4.875 0.795 0.818 132.166 14.388 0 0 69 {116.H} 9.185 0.031 0.044 {116.N} 131.077 0.126 0.181 {156.HA} 4.705 1.048 1.498 71.352 13.339 0 0 70 {?} 9.199 0.024 0.031 {?} 131.121 0.125 0.158 {?} 4.306 0.759 0.953 32.169 41.705 0 0 71 {?} 9.188 0.037 0.052 {?} 131.070 0.169 0.263 {?} 3.882 1.055 1.973 100.960 27.963 0 0 72 {?} 9.189 0.037 0.052 {?} 131.075 0.169 0.263 {?} 3.003 1.055 1.973 987.397 27.963 0 0 73 {116.H} 9.189 0.032 0.059 {116.N} 131.102 0.188 0.273 {115.HB3} 2.841 1.025 1.848 445.049 33.901 0 0 74 {?} 9.191 0.031 0.015 {?} 131.106 0.097 0.143 {?} 2.123 1.154 0.476 1863.247 26.933 0 0 75 {?} 9.189 0.031 0.015 {?} 131.142 0.097 0.143 {?} 1.926 1.154 0.476 237.726 26.933 0 0 76 {?} 9.191 0.031 0.015 {?} 131.083 0.097 0.143 {?} 1.801 1.154 0.476 561.368 26.933 0 0 77 {?} 9.191 0.028 0.018 {?} 131.081 0.133 0.067 {?} 1.566 1.529 0.727 479.601 39.247 0 0 78 {116.H} 9.190 0.046 0.070 {116.N} 131.129 0.143 0.274 {58.HB3} 1.411 0.779 1.117 236.169 10.294 0 0 79 {?} 9.191 0.046 0.070 {?} 131.093 0.143 0.274 {?} 1.196 0.779 1.117 2308.967 10.294 0 0 80 {116.H} 9.191 0.046 0.070 {116.N} 131.084 0.143 0.274 {116.HG21} 0.885 0.779 1.117 3578.320 10.294 0 0 81 {?} 9.191 0.046 0.070 {?} 131.102 0.143 0.274 {?} 0.777 0.779 1.117 1897.258 10.294 0 0 82 {?} 9.191 0.046 0.070 {?} 131.069 0.143 0.274 {?} 0.514 0.779 1.117 305.741 10.294 0 0 83 {?} 7.890 0.046 0.070 {?} 130.486 0.143 0.274 {?} 7.884 0.779 1.117 197.121 10.294 0 0 84 {?} 8.000 0.031 0.095 {?} 130.044 0.154 0.267 {?} 8.002 1.428 2.039 245.267 29.908 0 0 85 {?} 9.482 0.031 0.095 {?} 129.973 0.154 0.267 {?} 3.346 1.428 2.039 43.149 29.908 0 0 86 {102.H} 5.894 0.031 0.095 {102.N} 129.689 0.154 0.267 {130.H} 9.687 1.428 2.039 227.398 29.908 0 0 87 {139.H} 9.483 0.031 0.095 {139.N} 129.810 0.154 0.267 {139.H} 9.491 1.428 2.039 6498.025 29.908 0 0 88 {?} 9.481 0.031 0.095 {?} 129.806 0.154 0.267 {?} 9.305 1.428 2.039 1195.737 29.908 0 0 89 {?} 9.487 0.025 0.026 {?} 129.835 0.103 0.105 {?} 9.169 0.898 0.919 383.083 17.884 0 0 90 {139.H} 9.484 0.020 0.009 {139.N} 129.796 0.140 0.053 {140.H} 8.993 1.323 0.560 437.399 19.082 0 0 91 {139.H} 9.485 0.020 0.009 {139.N} 129.788 0.140 0.053 {20.H} 8.768 1.323 0.560 81.324 19.082 0 0 92 {139.H} 9.484 0.020 0.009 {139.N} 129.822 0.140 0.053 {19.H} 8.133 1.323 0.560 955.180 19.082 0 0 93 {?} 7.940 0.027 0.044 {?} 129.797 0.142 0.218 {?} 7.939 0.804 1.434 1023.378 2.333 0 0 94 {?} 7.826 0.029 0.077 {?} 129.669 0.159 0.227 {?} 7.822 1.228 1.755 184.792 4.701 0 0 95 {102.H} 5.893 0.033 0.048 {102.N} 129.686 0.090 0.068 {104.H} 7.809 0.547 0.913 42.399 5.101 0 0 96 {102.H} 5.894 0.033 0.048 {102.N} 129.676 0.090 0.068 {103.H} 7.530 0.547 0.913 1725.661 9.857 0 0 97 {?} 5.894 0.016 0.017 {?} 129.676 0.098 0.040 {?} 7.418 1.476 0.655 1274.149 7.643 0 0 98 {?} 9.483 0.016 0.017 {?} 129.805 0.098 0.040 {?} 7.270 1.476 0.655 227.526 7.643 0 0 99 {?} 5.894 0.016 0.017 {?} 129.671 0.098 0.040 {?} 7.050 1.476 0.655 2197.136 7.643 0 0 100 {?} 5.895 0.016 0.017 {?} 129.667 0.098 0.040 {?} 6.563 1.476 0.655 516.430 6.585 0 0 101 {102.H} 5.892 0.025 0.025 {102.N} 129.687 0.148 0.152 {101.H} 6.069 0.590 0.605 382.107 13.902 0 0 102 {102.H} 5.894 0.025 0.025 {102.N} 129.674 0.148 0.152 {102.H} 5.904 0.590 0.605 2966.142 13.902 0 0 103 {?} 5.894 0.025 0.025 {?} 129.683 0.148 0.152 {?} 5.303 0.590 0.605 218.219 13.902 0 0 104 {?} 9.483 0.031 0.064 {?} 129.811 0.146 0.225 {?} 5.183 0.895 1.593 1128.921 13.448 0 0 105 {?} 5.893 0.054 0.164 {?} 129.716 0.306 0.438 {?} 5.096 1.096 1.566 220.384 12.079 0 0 106 {?} 5.892 0.054 0.164 {?} 129.643 0.306 0.438 {?} 4.986 1.096 1.566 181.435 13.156 0 0 107 {?} 9.482 0.054 0.164 {?} 129.841 0.306 0.438 {?} 4.959 1.096 1.566 655.477 37.778 0 0 108 {?} 5.890 0.054 0.164 {?} 129.732 0.306 0.438 {?} 4.856 1.096 1.566 56.880 37.778 0 0 109 {?} 9.482 0.044 0.029 {?} 129.792 0.130 0.084 {?} 4.705 0.766 0.512 581.929 39.943 0 0 110 {102.H 102.H} 5.894 0.027 0.002 {102.N 102.N} 129.696 0.201 0.016 {101.HA 103.HA} 4.707 1.401 0.073 131.964 9.352 0 0 111 {139.H} 9.481 0.027 0.002 {139.N} 129.792 0.201 0.016 {138.HB} 4.200 1.401 0.073 372.959 39.482 0 0 112 {?} 5.891 0.027 0.002 {?} 129.665 0.201 0.016 {?} 4.110 1.401 0.073 353.734 28.819 0 0 113 {?} 9.486 0.024 0.034 {?} 129.830 0.103 0.108 {?} 3.845 1.557 1.611 209.439 30.711 0 0 114 {102.H 102.H} 5.895 0.022 0.009 {102.N 102.N} 129.677 0.141 0.060 {99.HB3 102.HA} 3.803 1.355 0.535 927.787 29.595 0 0 115 {?} 5.891 0.022 0.009 {?} 129.740 0.141 0.060 {?} 3.504 1.355 0.535 41.279 29.595 0 0 116 {102.H} 5.895 0.022 0.009 {102.N} 129.671 0.141 0.060 {103.HB2} 3.327 1.355 0.535 307.478 29.595 0 0 117 {?} 9.480 0.022 0.009 {?} 129.850 0.141 0.060 {?} 3.157 1.355 0.535 148.055 56.881 0 0 118 {102.H} 5.894 0.022 0.009 {102.N} 129.673 0.141 0.060 {129.HB2} 3.127 1.355 0.535 270.960 56.881 0 0 119 {?} 9.484 0.022 0.009 {?} 129.752 0.141 0.060 {?} 3.005 1.355 0.535 179.848 56.881 0 0 120 {?} 5.894 0.022 0.009 {?} 129.683 0.141 0.060 {?} 2.736 1.355 0.535 100.899 21.656 0 0 121 {?} 9.486 0.022 0.009 {?} 129.801 0.141 0.060 {?} 2.598 1.355 0.535 295.495 21.656 0 0 122 {?} 9.482 0.022 0.009 {?} 129.820 0.141 0.060 {?} 2.411 1.355 0.535 681.386 21.656 0 0 123 {?} 9.484 0.033 0.052 {?} 129.805 0.183 0.261 {?} 2.151 1.207 2.240 1784.749 731.064 0 0 124 {?} 5.894 0.033 0.052 {?} 129.663 0.183 0.261 {?} 2.123 1.207 2.240 508.514 731.064 0 0 125 {?} 9.483 0.033 0.052 {?} 129.806 0.183 0.261 {?} 2.000 1.207 2.240 661.248 731.064 0 0 126 {?} 5.894 0.033 0.052 {?} 129.639 0.183 0.261 {?} 1.965 1.207 2.240 563.047 731.064 0 0 127 {?} 9.484 0.033 0.052 {?} 129.811 0.183 0.261 {?} 1.784 1.207 2.240 1529.950 731.064 0 0 128 {?} 5.894 0.033 0.052 {?} 129.659 0.183 0.261 {?} 1.753 1.207 2.240 160.514 731.064 0 0 129 {?} 5.895 0.033 0.052 {?} 129.681 0.183 0.261 {?} 1.450 1.207 2.240 882.876 731.064 0 0 130 {139.H 139.H} 9.483 0.033 0.052 {139.N 139.N} 129.806 0.183 0.261 {139.HB2 139.HB3} 1.355 1.207 2.240 6547.503 731.064 0 0 131 {?} 9.484 0.033 0.052 {?} 129.796 0.183 0.261 {?} 1.172 1.207 2.240 1013.343 731.064 0 0 132 {?} 5.898 0.025 0.021 {?} 129.660 0.083 0.152 {?} 1.159 0.738 0.618 337.246 94.309 0 0 133 {139.H 139.H} 9.489 0.025 0.021 {139.N 139.N} 129.914 0.083 0.152 {140.HG22 140.HG23} 0.930 0.738 0.618 64.561 94.309 0 0 134 {?} 5.894 0.050 0.040 {?} 129.680 0.116 0.166 {?} 0.873 0.738 0.633 2162.644 60.172 0 0 135 {?} 9.486 0.035 0.126 {?} 129.825 0.055 0.173 {?} 0.765 1.071 2.266 156.454 1043.606 0 0 136 {102.H 102.H} 5.894 0.035 0.126 {102.N 102.N} 129.673 0.055 0.173 {102.HB2 102.HB3} 0.483 1.071 2.266 2931.771 1043.606 0 0 137 {?} 8.775 0.035 0.126 {?} 129.367 0.055 0.173 {?} 6.041 1.071 2.266 112.820 1043.606 0 0 138 {?} 8.774 0.036 0.034 {?} 129.338 0.116 0.240 {?} 4.894 0.939 0.889 77.982 20.492 0 0 139 {?} 9.029 0.014 0.034 {?} 129.438 0.065 0.171 {?} 4.425 0.831 2.086 28.809 22.740 0 0 140 {?} 5.893 0.037 0.052 {?} 129.601 0.185 0.269 {?} 2.553 1.263 1.805 402.249 7.180 0 0 141 {158.H} 9.032 0.016 0.008 {158.N} 129.329 0.077 0.036 {116.HG11} 1.157 0.792 0.374 95.666 3.821 0 0 142 {?} 8.784 0.052 0.044 {?} 129.339 0.147 0.133 {?} 0.526 0.669 0.497 32.826 4.176 0 0 143 {?} 9.026 0.052 0.044 {?} 129.348 0.147 0.133 {?} 0.498 0.669 0.497 208.601 7.212 0 0 144 {158.H} 9.026 0.052 0.044 {158.N} 129.265 0.147 0.133 {158.H} 9.024 0.669 0.497 6669.138 2.245 0 0 145 {49.H} 9.411 0.052 0.044 {49.N} 129.042 0.147 0.133 {57.H} 8.982 0.669 0.497 604.743 1.854 0 0 146 {?} 9.150 0.021 0.033 {?} 129.136 0.134 0.257 {?} 8.899 1.153 1.860 253.020 1.466 0 0 147 {155.H} 8.778 0.051 0.091 {155.N} 129.246 0.093 0.233 {155.H} 8.782 1.064 1.773 7315.579 1.512 0 0 148 {158.H} 9.025 0.047 0.067 {158.N} 129.254 0.134 0.192 {167.H} 8.710 0.886 1.265 1185.880 5.773 0 0 149 {49.H} 9.408 0.026 0.037 {49.N} 129.004 0.094 0.155 {50.H} 8.680 0.959 1.507 342.681 16.288 0 0 150 {?} 9.024 0.051 0.086 {?} 129.214 0.105 0.196 {?} 8.535 0.905 1.591 211.502 16.714 0 0 151 {158.H} 9.025 0.051 0.086 {158.N} 129.281 0.105 0.196 {157.H} 8.401 0.905 1.591 609.444 4.510 0 0 152 {?} 8.779 0.051 0.086 {?} 129.092 0.105 0.196 {?} 8.298 0.905 1.591 105.875 10.074 0 0 153 {43.H} 9.154 0.033 0.052 {43.N} 129.015 0.147 0.229 {44.H} 8.226 0.892 1.275 439.610 1.951 0 0 154 {?} 8.777 0.059 0.071 {?} 129.256 0.128 0.168 {?} 8.166 0.778 0.991 33.802 14.289 0 0 155 {158.H} 9.025 0.047 0.067 {158.N} 129.301 0.037 0.161 {159.H} 8.068 1.207 2.123 475.121 3.985 0 0 156 {155.H} 8.779 0.047 0.067 {155.N} 129.227 0.037 0.161 {154.H} 7.981 1.207 2.123 777.063 3.964 0 0 157 {?} 9.025 0.047 0.067 {?} 129.291 0.037 0.161 {?} 7.936 1.207 2.123 702.084 7.697 0 0 158 {?} 9.031 0.027 0.020 {?} 129.202 0.090 0.062 {?} 7.771 1.106 0.754 64.339 2.226 0 0 159 {?} 8.778 0.027 0.020 {?} 129.247 0.090 0.062 {?} 7.716 1.106 0.754 144.295 2.226 0 0 160 {?} 8.785 0.027 0.020 {?} 129.144 0.090 0.062 {?} 7.626 1.106 0.754 191.282 2.226 0 0 161 {?} 9.025 0.023 0.039 {?} 129.270 0.094 0.301 {?} 7.502 1.204 1.975 43.797 3.833 0 0 162 {?} 8.777 0.060 0.106 {?} 129.200 0.080 0.236 {?} 7.463 1.083 2.016 290.922 12.862 0 0 163 {?} 8.779 0.020 0.048 {?} 129.294 0.104 0.206 {?} 7.112 1.067 2.036 181.977 3.779 0 0 164 {?} 9.153 0.024 0.014 {?} 129.058 0.152 0.078 {?} 6.925 1.319 0.586 128.995 7.790 0 0 165 {?} 9.410 0.024 0.016 {?} 129.022 0.043 0.043 {?} 6.702 1.058 0.481 10.593 2.036 0 0 166 {?} 9.148 0.027 0.045 {?} 128.998 0.134 0.237 {?} 6.539 0.962 1.790 42.315 3.114 0 0 167 {?} 8.779 0.027 0.045 {?} 129.227 0.134 0.237 {?} 5.880 0.962 1.790 276.009 3.114 0 0 168 {?} 9.155 0.018 0.010 {?} 129.034 0.095 0.091 {?} 5.787 1.252 0.640 121.951 1.964 0 0 169 {?} 8.773 0.030 0.036 {?} 129.242 0.119 0.140 {?} 5.571 0.836 0.960 254.971 9.766 0 0 170 {?} 8.780 0.015 0.009 {?} 129.216 0.113 0.069 {?} 5.412 0.781 0.477 275.801 27.971 0 0 171 {?} 8.774 0.025 0.032 {?} 129.272 0.149 0.200 {?} 5.301 1.143 1.553 98.007 11.693 0 0 172 {?} 9.408 0.021 0.008 {?} 129.036 0.105 0.044 {?} 5.145 0.663 0.280 212.862 16.259 0 0 173 {?} 8.777 0.021 0.008 {?} 129.222 0.105 0.044 {?} 5.135 0.663 0.280 188.832 16.259 0 0 174 {?} 9.146 0.021 0.008 {?} 129.061 0.105 0.044 {?} 5.008 0.663 0.280 213.305 16.259 0 0 175 {?} 9.409 0.036 0.081 {?} 129.055 0.106 0.113 {?} 4.926 1.121 1.194 366.008 13.131 0 0 176 {?} 9.026 0.057 0.082 {?} 129.269 0.104 0.114 {?} 4.913 1.309 1.456 131.037 11.870 0 0 177 {?} 9.411 0.047 0.094 {?} 129.045 0.143 0.280 {?} 4.757 0.884 1.880 295.364 3.117 0 0 178 {158.H} 9.027 0.031 0.018 {158.N} 129.214 0.075 0.038 {116.HA} 4.747 1.173 0.598 144.733 2.562 0 0 179 {?} 8.777 0.026 0.024 {?} 129.245 0.096 0.086 {?} 4.626 1.309 1.220 513.249 4.014 0 0 180 {?} 9.410 0.023 0.011 {?} 129.056 0.097 0.027 {?} 4.586 1.321 0.355 212.338 5.080 0 0 181 {?} 8.778 0.027 0.053 {?} 129.240 0.103 0.147 {?} 4.512 1.130 1.716 729.934 1.797 0 0 182 {?} 8.776 0.024 0.041 {?} 129.252 0.093 0.174 {?} 4.384 1.050 1.771 492.032 1.692 0 0 183 {155.H} 8.778 0.024 0.042 {155.N} 129.240 0.080 0.131 {156.HD3} 4.254 0.857 1.499 989.118 4.246 0 0 184 {155.H} 8.778 0.024 0.045 {155.N} 129.245 0.098 0.220 {154.HA} 4.024 1.198 1.907 4360.208 1.851 0 0 185 {?} 9.026 0.022 0.022 {?} 129.193 0.126 0.181 {?} 3.888 0.854 0.858 100.275 7.152 0 0 186 {?} 9.405 0.022 0.022 {?} 129.042 0.126 0.181 {?} 3.786 0.854 0.858 227.769 7.152 0 0 187 {?} 9.024 0.032 0.074 {?} 129.228 0.139 0.210 {?} 3.736 1.004 1.989 257.510 2.063 0 0 188 {?} 9.154 0.026 0.037 {?} 129.031 0.120 0.172 {?} 3.672 1.035 1.551 179.219 26.349 0 0 189 {?} 9.416 0.026 0.037 {?} 129.030 0.120 0.172 {?} 3.451 1.035 1.551 432.458 26.349 0 0 190 {?} 9.411 0.026 0.037 {?} 129.001 0.120 0.172 {?} 3.305 1.035 1.551 1024.890 26.349 0 0 191 {?} 9.026 0.027 0.049 {?} 129.185 0.188 0.277 {?} 3.001 0.990 1.779 133.022 4.399 0 0 192 {?} 9.411 0.032 0.118 {?} 129.001 0.238 0.340 {?} 2.983 1.144 1.635 721.235 8.113 0 0 193 {158.H} 9.026 0.026 0.037 {158.N} 129.262 0.178 0.303 {157.HG2} 2.688 0.976 1.680 1119.265 5.997 0 0 194 {158.H} 9.025 0.027 0.070 {158.N} 129.267 0.131 0.238 {157.HG3} 2.270 0.967 2.015 3449.095 10.037 0 0 195 {?} 8.778 0.015 0.045 {?} 129.241 0.192 0.274 {?} 2.215 0.887 1.260 3170.057 15.001 0 0 196 {?} 9.025 0.015 0.045 {?} 129.272 0.192 0.274 {?} 2.149 0.887 1.260 1878.990 15.001 0 0 197 {155.H} 8.778 0.028 0.030 {155.N} 129.243 0.193 0.201 {155.HB2} 2.014 1.532 1.659 5346.575 6.781 0 0 198 {?} 9.025 0.037 0.052 {?} 129.269 0.126 0.142 {?} 1.983 0.982 1.117 726.712 21.607 0 0 199 {158.H} 9.025 0.037 0.052 {158.N} 129.263 0.126 0.142 {158.HB} 1.826 0.982 1.117 2379.334 21.607 0 0 200 {155.H} 8.779 0.037 0.052 {155.N} 129.224 0.126 0.142 {149.HB3} 1.819 0.982 1.117 425.312 21.607 0 0 201 {?} 9.411 0.026 0.037 {?} 129.014 0.133 0.133 {?} 1.767 0.901 0.902 704.798 5.591 0 0 202 {?} 9.148 0.045 0.088 {?} 128.999 0.130 0.115 {?} 1.720 0.970 0.862 64.363 12.140 0 0 203 {158.H} 9.025 0.036 0.063 {158.N} 129.257 0.177 0.281 {158.HG12} 1.599 0.957 1.873 1829.186 53.865 0 0 204 {?} 9.162 0.028 0.048 {?} 129.049 0.167 0.238 {?} 1.563 1.055 1.757 48.752 2.505 0 0 205 {49.H 49.H} 9.408 0.051 0.029 {49.N 49.N} 129.044 0.131 0.092 {56.HB2 59.HG13} 1.176 1.031 0.699 508.515 9.836 0 0 206 {158.H} 9.026 0.051 0.029 {158.N} 129.266 0.131 0.092 {158.HG13} 0.965 1.031 0.699 4367.120 9.836 0 0 207 {?} 8.778 0.051 0.029 {?} 129.248 0.131 0.092 {?} 0.867 1.031 0.699 4619.303 9.836 0 0 208 {?} 9.026 0.021 0.020 {?} 129.264 0.086 0.081 {?} 0.790 1.198 1.118 4307.340 20.003 0 0 209 {43.H} 9.151 0.021 0.020 {43.N} 129.073 0.086 0.081 {44.HG23} 0.576 1.198 1.118 215.844 20.003 0 0 210 {49.H} 9.411 0.021 0.020 {49.N} 128.991 0.086 0.081 {49.H} 9.415 1.198 1.118 6144.291 20.003 0 0 211 {43.H} 9.152 0.028 0.016 {43.N} 128.984 0.097 0.041 {43.H} 9.148 1.045 0.448 3969.263 13.843 0 0 212 {43.H} 9.152 0.028 0.016 {43.N} 128.986 0.097 0.041 {42.H} 8.692 1.045 0.448 958.896 13.843 0 0 213 {?} 9.149 0.028 0.016 {?} 128.936 0.097 0.041 {?} 7.480 1.045 0.448 41.504 13.843 0 0 214 {?} 9.411 0.025 0.030 {?} 128.974 0.052 0.168 {?} 7.128 0.908 1.129 1153.410 2.420 0 0 215 {?} 9.151 0.039 0.043 {?} 128.985 0.104 0.112 {?} 7.126 0.995 1.073 934.558 5.378 0 0 216 {?} 9.410 0.039 0.043 {?} 128.992 0.104 0.112 {?} 5.390 0.995 1.073 957.469 5.378 0 0 217 {?} 9.410 0.022 0.024 {?} 128.973 0.131 0.142 {?} 5.280 1.065 1.191 627.852 3.405 0 0 218 {?} 9.150 0.028 0.058 {?} 128.980 0.109 0.220 {?} 5.281 1.210 2.018 100.470 4.842 0 0 219 {43.H} 9.153 0.026 0.029 {43.N} 128.991 0.109 0.123 {43.HA} 4.741 0.966 1.082 78.245 5.582 0 0 220 {?} 9.148 0.026 0.037 {?} 128.922 0.132 0.176 {?} 4.594 1.026 2.243 149.896 6.564 0 0 221 {?} 9.407 0.018 0.005 {?} 128.906 0.186 0.054 {?} 4.498 1.209 0.356 450.478 9.508 0 0 222 {?} 9.152 0.018 0.005 {?} 128.978 0.186 0.054 {?} 4.368 1.209 0.356 845.299 9.508 0 0 223 {?} 9.416 0.018 0.005 {?} 128.954 0.186 0.054 {?} 4.344 1.209 0.356 117.258 9.508 0 0 224 {43.H} 9.151 0.018 0.005 {43.N} 128.977 0.186 0.054 {42.HA2} 4.267 1.209 0.356 1067.648 9.508 0 0 225 {?} 9.407 0.018 0.005 {?} 128.974 0.186 0.054 {?} 3.969 1.209 0.356 182.669 9.508 0 0 226 {?} 9.412 0.021 0.008 {?} 128.964 0.090 0.036 {?} 3.163 1.387 0.540 146.583 17.977 0 0 227 {43.H} 9.152 0.021 0.008 {43.N} 128.981 0.090 0.036 {43.HB2} 3.127 1.387 0.540 3581.990 17.977 0 0 228 {43.H} 9.152 0.021 0.008 {43.N} 128.971 0.090 0.036 {43.HB3} 2.959 1.387 0.540 755.572 17.977 0 0 229 {49.H} 9.412 0.027 0.061 {49.N} 128.963 0.202 0.288 {48.HB3} 2.739 1.371 1.959 812.196 30.504 0 0 230 {?} 9.412 0.027 0.061 {?} 128.971 0.202 0.288 {?} 2.616 1.371 1.959 446.054 30.504 0 0 231 {?} 9.412 0.027 0.061 {?} 128.974 0.202 0.288 {?} 2.091 1.371 1.959 589.258 24.981 0 0 232 {?} 9.411 0.027 0.061 {?} 128.979 0.202 0.288 {?} 1.934 1.371 1.959 871.841 24.981 0 0 233 {49.H} 9.411 0.027 0.061 {49.N} 128.987 0.202 0.288 {49.HB3} 1.634 1.371 1.959 1591.116 48.067 0 0 234 {49.H} 9.410 0.017 0.013 {49.N} 128.983 0.116 0.165 {49.HG} 1.458 1.261 1.020 2579.191 87.316 0 0 235 {?} 9.154 0.017 0.013 {?} 128.973 0.116 0.165 {?} 1.136 1.261 1.020 35.457 14.676 0 0 236 {?} 9.153 0.017 0.013 {?} 128.962 0.116 0.165 {?} 0.908 1.261 1.020 2818.916 14.676 0 0 237 {?} 9.411 0.025 0.025 {?} 128.964 0.141 0.308 {?} 0.875 1.408 1.375 2212.741 2.984 0 0 238 {?} 9.412 0.064 0.109 {?} 128.982 0.110 0.201 {?} 0.767 1.310 2.003 1560.353 33.692 0 0 239 {49.H 49.H 49.H} 9.410 0.027 0.033 {49.N 49.N 49.N} 128.989 0.159 0.194 {49.HD11 49.HD12 49.HD13} 0.625 1.068 1.336 1393.618 23.349 0 0 240 {49.H 49.H} 9.411 0.027 0.033 {49.N 49.N} 128.986 0.159 0.194 {49.HD21 49.HD22} 0.399 1.068 1.336 1089.891 23.349 0 0 241 {?} 8.137 0.049 0.185 {?} 128.590 0.130 0.185 {?} 8.145 0.824 2.118 80.646 13.302 0 0 242 {?} 7.745 0.024 0.040 {?} 128.487 0.135 0.193 {?} 7.742 1.052 1.646 118.333 20.144 0 0 243 {68.H} 8.752 0.059 0.069 {68.N} 128.143 0.107 0.119 {161.HE1} 7.024 0.799 0.888 42.035 280.803 0 0 244 {?} 8.756 0.059 0.069 {?} 128.137 0.107 0.119 {?} 3.304 0.799 0.888 20.467 280.803 0 0 245 {?} 8.752 0.059 0.069 {?} 128.099 0.107 0.119 {?} 2.935 0.799 0.888 1312.127 280.803 0 0 246 {?} 8.751 0.033 0.004 {?} 128.092 0.079 0.011 {?} 2.500 0.708 0.100 1196.490 22.266 0 0 247 {?} 8.752 0.053 0.075 {?} 128.180 0.086 0.148 {?} 1.716 0.945 1.724 163.797 928.362 0 0 248 {68.H} 8.752 0.053 0.075 {68.N} 128.115 0.086 0.148 {67.HB} 1.548 0.945 1.724 596.113 928.362 0 0 249 {?} 8.753 0.053 0.075 {?} 128.071 0.086 0.148 {?} 1.133 0.945 1.724 231.352 928.362 0 0 250 {68.H} 8.750 0.058 0.082 {68.N} 128.209 0.096 0.183 {69.HD22} 0.702 1.173 1.968 260.286 768.238 0 0 251 {68.H 68.H} 8.753 0.058 0.082 {68.N 68.N} 128.098 0.096 0.183 {67.HG21 67.HG23} 0.507 1.173 1.968 949.594 768.238 0 0 252 {?} 8.750 0.058 0.082 {?} 128.125 0.096 0.183 {?} 0.060 1.173 1.968 199.504 768.238 0 0 253 {68.H} 8.750 0.058 0.082 {68.N} 128.094 0.096 0.183 {67.HG13} -0.052 1.173 1.968 157.017 768.238 0 0 254 {?} 8.360 0.058 0.082 {?} 127.944 0.096 0.183 {?} 9.337 1.173 1.968 90.537 768.238 0 0 255 {?} 8.363 0.058 0.082 {?} 127.926 0.096 0.183 {?} 8.952 1.173 1.968 458.440 768.238 0 0 256 {17.H} 8.364 0.058 0.082 {17.N} 127.910 0.096 0.183 {16.H} 8.715 1.173 1.968 616.031 63.761 0 0 257 {?} 8.016 0.022 0.015 {?} 127.760 0.096 0.161 {?} 8.016 0.824 0.525 2054.788 24.377 0 0 258 {?} 7.885 0.027 0.058 {?} 127.981 0.143 0.204 {?} 7.884 1.024 2.041 1337.001 46.910 0 0 259 {?} 7.816 0.027 0.058 {?} 127.979 0.143 0.204 {?} 7.810 1.024 2.041 186.757 50.007 0 0 260 {17.H} 8.364 0.027 0.058 {17.N} 127.908 0.143 0.204 {18.H} 7.728 1.024 2.041 745.686 5.398 0 0 261 {68.H} 8.751 0.027 0.058 {68.N} 128.053 0.143 0.204 {161.HD1} 7.502 1.024 2.041 61.587 106.806 0 0 262 {?} 8.361 0.027 0.058 {?} 127.909 0.143 0.204 {?} 7.406 1.024 2.041 299.779 197.558 0 0 263 {?} 8.363 0.027 0.058 {?} 127.925 0.143 0.204 {?} 6.501 1.024 2.041 170.630 197.558 0 0 264 {?} 8.364 0.027 0.058 {?} 127.922 0.143 0.204 {?} 5.184 1.024 2.041 170.044 197.558 0 0 265 {?} 8.365 0.027 0.058 {?} 127.851 0.143 0.204 {?} 5.024 1.024 2.041 226.820 197.558 0 0 266 {?} 8.366 0.027 0.058 {?} 127.939 0.143 0.204 {?} 4.610 1.024 2.041 228.391 197.558 0 0 267 {?} 8.753 0.027 0.058 {?} 127.979 0.143 0.204 {?} 4.444 1.024 2.041 115.034 197.558 0 0 268 {?} 8.364 0.037 0.052 {?} 127.877 0.192 0.275 {?} 4.158 1.358 1.940 387.338 25.117 0 0 269 {?} 8.363 0.013 0.082 {?} 127.919 0.167 0.244 {?} 3.988 1.269 2.000 1286.620 14.317 0 0 270 {17.H} 8.363 0.013 0.082 {17.N} 127.912 0.167 0.244 {16.HA} 3.757 1.269 2.000 4300.297 25.802 0 0 271 {17.H} 8.362 0.013 0.082 {17.N} 128.007 0.167 0.244 {147.HD2} 3.232 1.269 2.000 41.258 25.802 0 0 272 {17.H} 8.363 0.013 0.082 {17.N} 127.906 0.167 0.244 {17.HB2} 2.626 1.269 2.000 2848.435 25.802 0 0 273 {?} 8.364 0.013 0.082 {?} 127.910 0.167 0.244 {?} 2.495 1.269 2.000 2549.726 25.802 0 0 274 {?} 8.364 0.013 0.082 {?} 127.913 0.167 0.244 {?} 2.079 1.269 2.000 468.940 23.513 0 0 275 {17.H} 8.363 0.013 0.082 {17.N} 127.933 0.167 0.244 {16.HB} 1.885 1.269 2.000 453.135 8.490 0 0 276 {?} 8.363 0.013 0.082 {?} 127.913 0.167 0.244 {?} 1.030 1.269 2.000 1277.478 8.490 0 0 277 {17.H 17.H} 8.364 0.032 0.064 {17.N 17.N} 127.921 0.125 0.179 {140.HG11 140.HG13} 0.762 0.945 1.836 200.573 19.162 0 0 278 {67.H 67.H 67.H} 8.649 0.021 0.022 {67.N 67.N 67.N} 127.972 0.211 0.301 {67.HG21 67.HG22 67.HG23} 0.495 1.228 1.394 72.316 11.092 0 0 279 {17.H 17.H} 8.364 0.027 0.061 {17.N 17.N} 127.914 0.116 0.166 {16.HG21 16.HG23} 0.189 0.904 1.704 2116.784 4.132 0 0 280 {138.H} 9.538 0.014 0.040 {138.N} 127.227 0.075 0.206 {138.H} 9.542 0.742 0.986 5914.164 7.955 0 0 281 {?} 9.539 0.024 0.044 {?} 127.225 0.135 0.274 {?} 9.177 1.082 1.828 1148.390 13.647 0 0 282 {?} 9.536 0.029 0.054 {?} 127.295 0.112 0.236 {?} 9.040 1.033 1.643 231.990 15.075 0 0 283 {?} 9.480 0.029 0.054 {?} 127.200 0.112 0.236 {?} 8.661 1.033 1.643 5.658 15.075 0 0 284 {?} 7.991 0.029 0.054 {?} 127.292 0.112 0.236 {?} 7.993 1.033 1.643 3036.382 15.075 0 0 285 {?} 7.954 0.047 0.052 {?} 127.280 0.182 0.206 {?} 7.957 0.922 1.030 1214.909 27.711 0 0 286 {?} 9.539 0.065 0.107 {?} 127.240 0.098 0.143 {?} 7.259 1.479 2.013 519.827 4.779 0 0 287 {?} 9.539 0.065 0.107 {?} 127.197 0.098 0.143 {?} 7.082 1.479 2.013 407.929 4.779 0 0 288 {?} 9.537 0.050 0.072 {?} 127.238 0.085 0.110 {?} 6.925 1.051 1.342 1041.469 5.585 0 0 289 {?} 9.537 0.027 0.067 {?} 127.186 0.099 0.215 {?} 6.534 1.039 1.694 166.854 11.756 0 0 290 {?} 9.475 0.027 0.067 {?} 127.139 0.099 0.215 {?} 6.458 1.039 1.694 211.312 15.919 0 0 291 {?} 9.537 0.027 0.067 {?} 127.165 0.099 0.215 {?} 5.799 1.039 1.694 204.763 29.156 0 0 292 {?} 9.540 0.037 0.070 {?} 127.223 0.164 0.239 {?} 5.393 1.063 1.838 272.416 22.031 0 0 293 {?} 9.539 0.030 0.029 {?} 127.218 0.117 0.167 {?} 5.170 1.001 0.962 895.542 20.929 0 0 294 {?} 9.539 0.058 0.082 {?} 127.223 0.116 0.194 {?} 4.620 1.159 1.655 623.702 6.732 0 0 295 {?} 9.538 0.035 0.040 {?} 127.198 0.112 0.142 {?} 4.288 1.566 1.769 381.872 20.397 0 0 296 {138.H 138.H} 9.537 0.048 0.127 {138.N 138.N} 127.229 0.104 0.221 {137.HB 138.HB} 4.192 1.695 2.422 789.794 11.140 0 0 297 {?} 9.538 0.074 0.105 {?} 127.154 0.117 0.194 {?} 2.729 1.291 2.217 22.241 16.888 0 0 298 {?} 9.527 0.024 0.021 {?} 127.256 0.068 0.054 {?} 2.434 1.240 1.040 192.867 19.212 0 0 299 {?} 9.536 0.024 0.021 {?} 127.216 0.068 0.054 {?} 2.145 1.240 1.040 1215.498 19.212 0 0 300 {138.H} 9.537 0.024 0.021 {138.N} 127.232 0.068 0.054 {128.HB3} 1.991 1.240 1.040 803.407 19.212 0 0 301 {?} 9.539 0.031 0.049 {?} 127.238 0.069 0.220 {?} 1.757 1.065 1.810 304.772 20.663 0 0 302 {138.H} 9.538 0.025 0.018 {138.N} 127.219 0.117 0.207 {138.HG21} 1.361 1.328 0.999 2290.600 15.385 0 0 303 {?} 9.538 0.051 0.109 {?} 127.227 0.102 0.189 {?} 1.126 1.249 1.966 3234.986 12.959 0 0 304 {?} 9.533 0.051 0.109 {?} 127.152 0.102 0.189 {?} 0.961 1.249 1.966 63.925 2.539 0 0 305 {?} 9.535 0.051 0.094 {?} 127.200 0.125 0.220 {?} 0.759 1.048 1.927 137.899 8.575 0 0 306 {?} 9.469 0.032 0.047 {?} 127.188 0.060 0.206 {?} -0.488 0.947 1.486 163.606 4.020 0 0 307 {?} 8.887 0.024 0.059 {?} 127.366 0.192 0.274 {?} -1.719 1.239 2.020 29.574 5.939 0 0 308 {114.H} 7.684 0.023 0.026 {114.N} 126.863 0.140 0.175 {113.H} 9.899 0.985 1.160 221.796 4.098 0 0 309 {159.H} 8.059 0.023 0.026 {159.N} 126.890 0.140 0.175 {119.H} 9.584 0.985 1.160 395.091 7.551 0 0 310 {?} 9.474 0.031 0.042 {?} 127.084 0.136 0.182 {?} 9.480 1.035 1.413 7329.143 29.191 0 0 311 {114.H} 7.685 0.027 0.053 {114.N} 126.891 0.134 0.298 {58.H} 9.286 0.968 1.870 466.393 15.005 0 0 312 {138.H} 9.474 0.031 0.048 {138.N} 127.032 0.192 0.274 {137.H} 9.119 1.131 1.615 445.556 3.138 0 0 313 {159.H} 8.061 0.031 0.048 {159.N} 126.855 0.192 0.274 {158.H} 9.024 1.131 1.615 334.943 15.011 0 0 314 {114.H} 7.688 0.045 0.058 {114.N} 126.967 0.038 0.112 {57.H} 8.992 1.123 1.509 113.226 7.001 0 0 315 {?} 9.469 0.045 0.058 {?} 127.077 0.038 0.112 {?} 8.987 1.123 1.509 138.188 3.656 0 0 316 {114.H} 7.686 0.031 0.079 {114.N} 126.882 0.102 0.145 {115.H} 8.818 1.099 1.997 351.706 28.138 0 0 317 {159.H} 8.060 0.031 0.079 {159.N} 126.883 0.102 0.145 {117.H} 8.788 1.099 1.997 783.130 44.861 0 0 318 {159.H 159.H} 8.060 0.031 0.079 {159.N 159.N} 126.862 0.102 0.145 {160.H 167.H} 8.689 1.099 1.997 641.082 44.861 0 0 319 {?} 9.474 0.031 0.079 {?} 127.103 0.102 0.145 {?} 8.269 1.099 1.997 926.872 44.861 0 0 320 {114.H} 7.687 0.031 0.079 {114.N} 126.930 0.102 0.145 {55.HE22} 8.216 1.099 1.997 732.449 44.861 0 0 321 {?} 9.475 0.047 0.067 {?} 127.081 0.039 0.175 {?} 8.149 1.066 2.043 969.583 9.139 0 0 322 {?} 8.789 0.057 0.082 {?} 126.922 0.042 0.201 {?} 7.919 1.095 2.133 22.501 23.464 0 0 323 {?} 8.060 0.057 0.082 {?} 126.869 0.042 0.201 {?} 7.833 1.095 2.133 186.691 36.193 0 0 324 {?} 9.475 0.026 0.037 {?} 127.112 0.211 0.301 {?} 7.700 0.793 0.963 243.616 53.786 0 0 325 {114.H} 7.687 0.026 0.037 {114.N} 126.915 0.211 0.301 {114.H} 7.685 0.793 0.963 3059.897 53.786 0 0 326 {?} 8.060 0.026 0.037 {?} 126.853 0.211 0.301 {?} 7.489 0.793 0.963 329.634 53.786 0 0 327 {?} 7.683 0.014 0.031 {?} 126.942 0.200 0.286 {?} 7.468 0.890 0.900 167.335 7.509 0 0 328 {?} 7.688 0.014 0.031 {?} 126.915 0.200 0.286 {?} 7.276 0.890 0.900 328.606 7.509 0 0 329 {?} 9.475 0.014 0.031 {?} 127.080 0.200 0.286 {?} 7.141 0.890 0.900 1287.069 7.509 0 0 330 {?} 7.687 0.014 0.031 {?} 126.903 0.200 0.286 {?} 7.140 0.890 0.900 387.285 7.509 0 0 331 {?} 8.794 0.051 0.127 {?} 126.828 0.063 0.301 {?} 7.032 0.824 2.589 281.948 32.356 0 0 332 {?} 8.059 0.047 0.067 {?} 126.851 0.115 0.164 {?} 7.014 0.980 2.089 414.030 9.007 0 0 333 {114.H} 7.686 0.047 0.067 {114.N} 126.915 0.115 0.164 {55.HE21} 6.947 0.980 2.089 1087.044 9.007 0 0 334 {?} 8.065 0.047 0.067 {?} 126.912 0.115 0.164 {?} 6.791 0.980 2.089 75.801 9.007 0 0 335 {?} 9.474 0.047 0.067 {?} 127.098 0.115 0.164 {?} 6.699 0.980 2.089 1743.796 9.007 0 0 336 {?} 7.687 0.057 0.082 {?} 126.884 0.126 0.181 {?} 6.700 1.085 2.116 199.787 13.331 0 0 337 {138.H 138.H} 9.474 0.057 0.082 {138.N 138.N} 127.069 0.126 0.181 {20.HA 139.HA} 5.473 1.085 2.116 235.193 6.008 0 0 338 {?} 7.688 0.050 0.109 {?} 126.885 0.164 0.268 {?} 5.245 1.065 1.961 339.058 6.623 0 0 339 {?} 9.478 0.028 0.035 {?} 127.083 0.088 0.278 {?} 5.084 1.128 1.546 92.511 6.122 0 0 340 {?} 7.686 0.028 0.035 {?} 126.863 0.088 0.278 {?} 5.075 1.128 1.546 348.280 21.660 0 0 341 {?} 8.059 0.031 0.055 {?} 126.859 0.106 0.274 {?} 4.987 0.904 1.522 266.932 19.765 0 0 342 {?} 9.478 0.057 0.082 {?} 127.040 0.093 0.274 {?} 4.944 1.376 1.966 285.922 9.470 0 0 343 {117.H} 8.789 0.057 0.082 {117.N} 126.900 0.093 0.274 {117.HA} 4.890 1.376 1.966 56.603 9.470 0 0 344 {?} 7.691 0.057 0.082 {?} 126.945 0.093 0.274 {?} 4.874 1.376 1.966 358.554 9.470 0 0 345 {?} 8.063 0.039 0.067 {?} 126.871 0.076 0.238 {?} 4.845 1.180 1.686 168.433 15.875 0 0 346 {?} 9.474 0.039 0.067 {?} 127.119 0.076 0.238 {?} 4.726 1.180 1.686 192.384 16.815 0 0 347 {?} 8.052 0.050 0.172 {?} 126.917 0.125 0.178 {?} 4.710 1.071 1.530 96.934 6.998 0 0 348 {?} 7.689 0.028 0.074 {?} 126.867 0.109 0.156 {?} 4.684 0.958 2.159 319.202 11.013 0 0 349 {?} 7.688 0.028 0.074 {?} 126.956 0.109 0.156 {?} 4.560 0.958 2.159 334.508 11.013 0 0 350 {138.H} 9.463 0.028 0.074 {138.N} 127.090 0.109 0.156 {137.HA} 4.533 0.958 2.159 33.897 5.473 0 0 351 {?} 8.064 0.028 0.074 {?} 126.857 0.109 0.156 {?} 4.433 0.958 2.159 204.763 5.473 0 0 352 {?} 9.480 0.028 0.074 {?} 127.073 0.109 0.156 {?} 4.373 0.958 2.159 21.048 20.576 0 0 353 {159.H} 8.060 0.028 0.074 {159.N} 126.826 0.109 0.156 {159.HA} 4.311 0.958 2.159 266.771 20.576 0 0 354 {114.H} 7.686 0.027 0.067 {114.N} 126.892 0.187 0.267 {114.HA} 4.309 0.978 1.985 521.716 11.610 0 0 355 {?} 8.675 0.027 0.067 {?} 127.047 0.187 0.267 {?} 4.113 0.978 1.985 322.230 11.610 0 0 356 {?} 8.671 0.027 0.067 {?} 127.035 0.187 0.267 {?} 3.922 0.978 1.985 118.666 11.610 0 0 357 {114.H} 7.687 0.030 0.024 {114.N} 126.904 0.103 0.069 {113.HA} 3.836 0.736 0.489 1725.212 77.759 0 0 358 {159.H} 8.060 0.030 0.024 {159.N} 126.910 0.103 0.069 {119.HA} 3.774 0.736 0.489 159.199 77.759 0 0 359 {?} 9.471 0.030 0.024 {?} 127.037 0.103 0.069 {?} 3.422 0.736 0.489 310.883 77.759 0 0 360 {159.H} 8.063 0.031 0.034 {159.N} 127.019 0.114 0.141 {118.HB2} 3.191 0.347 0.950 57.267 40.773 0 0 361 {?} 9.473 0.031 0.034 {?} 127.097 0.114 0.141 {?} 3.035 0.347 0.950 1514.040 40.773 0 0 362 {?} 7.683 0.031 0.034 {?} 126.928 0.114 0.141 {?} 2.986 0.347 0.950 258.582 40.773 0 0 363 {?} 8.053 0.029 0.054 {?} 126.886 0.127 0.301 {?} 2.682 0.883 2.053 43.091 29.495 0 0 364 {114.H} 7.685 0.058 0.082 {114.N} 126.929 0.146 0.259 {114.HD2} 2.660 0.482 1.514 480.814 28.029 0 0 365 {?} 9.474 0.058 0.082 {?} 127.103 0.146 0.259 {?} 2.594 0.482 1.514 976.777 28.029 0 0 366 {?} 8.053 0.058 0.082 {?} 126.932 0.146 0.259 {?} 2.526 0.482 1.514 10.808 28.029 0 0 367 {114.H} 7.682 0.058 0.082 {114.N} 126.910 0.146 0.259 {55.HB2} 2.427 0.482 1.514 29.931 28.029 0 0 368 {?} 9.475 0.058 0.082 {?} 127.078 0.146 0.259 {?} 2.412 0.482 1.514 1043.915 28.029 0 0 369 {?} 8.061 0.058 0.082 {?} 126.839 0.146 0.259 {?} 2.279 0.482 1.514 936.335 28.029 0 0 370 {114.H} 7.687 0.058 0.082 {114.N} 126.898 0.146 0.259 {114.HD3} 2.247 0.482 1.514 744.718 28.029 0 0 371 {?} 8.060 0.027 0.083 {?} 126.837 0.128 0.300 {?} 2.129 0.511 1.605 746.679 51.462 0 0 372 {?} 7.686 0.027 0.083 {?} 126.901 0.128 0.300 {?} 2.073 0.511 1.605 1648.811 51.462 0 0 373 {?} 9.474 0.040 0.067 {?} 127.101 0.211 0.301 {?} 2.049 1.086 1.552 2361.578 64.455 0 0 374 {?} 8.062 0.040 0.067 {?} 126.872 0.211 0.301 {?} 2.019 1.086 1.552 1041.458 64.455 0 0 375 {?} 9.474 0.040 0.067 {?} 127.071 0.211 0.301 {?} 1.798 1.086 1.552 1396.586 64.455 0 0 376 {159.H} 8.059 0.040 0.067 {159.N} 126.862 0.211 0.301 {158.HB} 1.819 1.086 1.552 1498.295 64.455 0 0 377 {?} 7.687 0.040 0.067 {?} 126.890 0.211 0.301 {?} 1.803 1.086 1.552 459.150 64.455 0 0 378 {?} 8.060 0.040 0.067 {?} 126.872 0.211 0.301 {?} 1.607 1.086 1.552 2122.898 64.455 0 0 379 {?} 9.474 0.040 0.067 {?} 127.092 0.211 0.301 {?} 1.256 1.086 1.552 1147.798 7.194 0 0 380 {114.H} 7.686 0.040 0.067 {114.N} 126.903 0.211 0.301 {114.HB2} 1.250 1.086 1.552 3116.447 26.195 0 0 381 {159.H} 8.060 0.040 0.067 {159.N} 126.816 0.211 0.301 {116.HG11} 1.172 1.086 1.552 409.982 14.871 0 0 382 {?} 7.687 0.040 0.067 {?} 126.912 0.211 0.301 {?} 1.147 1.086 1.552 2765.505 14.871 0 0 383 {?} 8.676 0.040 0.067 {?} 127.021 0.211 0.301 {?} 1.131 1.086 1.552 502.716 14.871 0 0 384 {?} 8.060 0.033 0.082 {?} 126.854 0.102 0.146 {?} 0.953 1.532 2.188 5679.173 21.148 0 0 385 {114.H} 7.687 0.058 0.082 {114.N} 126.906 0.191 0.272 {113.HG13} 0.810 1.182 2.122 3489.525 24.185 0 0 386 {?} 9.474 0.031 0.052 {?} 127.080 0.126 0.181 {?} 0.765 0.894 1.957 460.402 28.762 0 0 387 {159.H} 8.060 0.047 0.067 {159.N} 126.851 0.080 0.250 {158.HG22} 0.752 0.976 2.062 5031.209 66.946 0 0 388 {?} 9.474 0.029 0.071 {?} 127.079 0.150 0.214 {?} 0.596 0.930 1.944 599.391 67.526 0 0 389 {114.H} 7.686 0.064 0.110 {114.N} 126.899 0.086 0.231 {114.HB3} 0.553 1.171 1.673 1075.731 1364.909 0 0 390 {?} 8.061 0.064 0.110 {?} 126.851 0.086 0.231 {?} 0.498 1.171 1.673 1779.182 81.417 0 0 391 {?} 9.474 0.064 0.110 {?} 127.079 0.086 0.231 {?} 0.356 1.171 1.673 790.120 7.125 0 0 392 {?} 8.786 0.028 0.094 {?} 126.825 0.113 0.192 {?} -0.419 1.035 1.478 5.404 1606.991 0 0 393 {?} 8.060 0.028 0.094 {?} 126.860 0.113 0.192 {?} -0.399 1.035 1.478 943.716 1606.991 0 0 394 {22.H} 8.540 0.028 0.094 {22.N} 126.556 0.113 0.192 {21.H} 9.301 1.035 1.478 457.327 1606.991 0 0 395 {117.H} 8.795 0.028 0.094 {117.N} 126.774 0.113 0.192 {116.H} 9.195 1.035 1.478 83.842 1606.991 0 0 396 {22.H} 8.541 0.028 0.094 {22.N} 126.588 0.113 0.192 {137.H} 9.163 1.035 1.478 208.466 1606.991 0 0 397 {117.H} 8.796 0.028 0.094 {117.N} 126.728 0.113 0.192 {158.H} 9.024 1.035 1.478 31.678 1606.991 0 0 398 {117.H} 8.794 0.028 0.094 {117.N} 126.746 0.113 0.192 {117.H} 8.799 1.035 1.478 4750.003 1482.797 0 0 399 {22.H} 8.540 0.028 0.094 {22.N} 126.550 0.113 0.192 {22.H} 8.550 1.035 1.478 7758.983 1482.797 0 0 400 {117.H} 8.795 0.028 0.094 {117.N} 126.745 0.113 0.192 {157.H} 8.405 1.035 1.478 830.178 1482.797 0 0 401 {?} 8.677 0.028 0.094 {?} 126.548 0.113 0.192 {?} 8.357 1.035 1.478 33.412 1482.797 0 0 402 {117.H} 8.794 0.028 0.094 {117.N} 126.743 0.113 0.192 {118.H} 8.190 1.035 1.478 336.324 1482.797 0 0 403 {117.H} 8.793 0.028 0.094 {117.N} 126.772 0.113 0.192 {159.H} 8.069 1.035 1.478 584.644 1482.797 0 0 404 {159.H} 8.054 0.028 0.094 {159.N} 126.715 0.113 0.192 {159.H} 8.057 1.035 1.478 6718.257 1482.797 0 0 405 {22.H} 8.540 0.028 0.094 {22.N} 126.557 0.113 0.192 {23.H} 7.941 1.035 1.478 558.367 1482.797 0 0 406 {?} 7.780 0.028 0.094 {?} 126.751 0.113 0.192 {?} 7.771 1.035 1.478 80.258 1482.797 0 0 407 {?} 8.792 0.028 0.094 {?} 126.732 0.113 0.192 {?} 7.498 1.035 1.478 177.713 1482.797 0 0 408 {?} 8.541 0.028 0.094 {?} 126.563 0.113 0.192 {?} 7.309 1.035 1.478 96.584 1482.797 0 0 409 {?} 8.794 0.028 0.094 {?} 126.736 0.113 0.192 {?} 6.821 1.035 1.478 103.845 1482.797 0 0 410 {?} 8.540 0.028 0.094 {?} 126.553 0.113 0.192 {?} 6.629 1.035 1.478 101.022 389.525 0 0 411 {?} 8.793 0.028 0.094 {?} 126.774 0.113 0.192 {?} 5.875 1.035 1.478 73.408 389.525 0 0 412 {?} 8.545 0.028 0.094 {?} 126.625 0.113 0.192 {?} 5.335 1.035 1.478 5.463 389.525 0 0 413 {?} 8.538 0.028 0.094 {?} 126.671 0.113 0.192 {?} 5.207 1.035 1.478 41.520 389.525 0 0 414 {?} 8.788 0.028 0.094 {?} 126.763 0.113 0.192 {?} 5.011 1.035 1.478 60.472 389.525 0 0 415 {?} 8.540 0.028 0.094 {?} 126.591 0.113 0.192 {?} 4.772 1.035 1.478 365.168 389.525 0 0 416 {117.H} 8.791 0.028 0.094 {117.N} 126.720 0.113 0.192 {156.HA} 4.715 1.035 1.478 79.800 389.525 0 0 417 {?} 8.542 0.028 0.094 {?} 126.612 0.113 0.192 {?} 3.861 1.035 1.478 138.425 389.525 0 0 418 {?} 8.788 0.028 0.094 {?} 126.719 0.113 0.192 {?} 3.165 1.035 1.478 104.650 389.525 0 0 419 {?} 8.792 0.028 0.094 {?} 126.713 0.113 0.192 {?} 2.972 1.035 1.478 31.496 389.525 0 0 420 {22.H} 8.540 0.028 0.094 {22.N} 126.530 0.113 0.192 {23.HB3} 2.978 1.035 1.478 216.549 389.525 0 0 421 {?} 8.052 0.028 0.094 {?} 126.706 0.113 0.192 {?} 2.981 1.035 1.478 100.231 389.525 0 0 422 {?} 8.795 0.028 0.094 {?} 126.792 0.113 0.192 {?} 2.680 1.035 1.478 90.123 342.678 0 0 423 {22.H} 8.540 0.028 0.094 {22.N} 126.553 0.113 0.192 {22.HB2} 2.694 1.035 1.478 2657.433 342.678 0 0 424 {?} 8.540 0.028 0.094 {?} 126.546 0.113 0.192 {?} 2.524 1.035 1.478 2828.947 342.678 0 0 425 {?} 8.793 0.028 0.094 {?} 126.765 0.113 0.192 {?} 2.272 1.035 1.478 1415.350 342.678 0 0 426 {?} 8.793 0.028 0.094 {?} 126.753 0.113 0.192 {?} 2.138 1.035 1.478 1954.334 342.678 0 0 427 {?} 8.540 0.028 0.094 {?} 126.555 0.113 0.192 {?} 2.087 1.035 1.478 1329.962 342.678 0 0 428 {?} 8.793 0.028 0.094 {?} 126.797 0.113 0.192 {?} 1.943 1.035 1.478 419.979 342.678 0 0 429 {22.H} 8.540 0.028 0.094 {22.N} 126.541 0.113 0.192 {21.HB3} 1.744 1.035 1.478 2235.648 342.678 0 0 430 {?} 8.794 0.028 0.094 {?} 126.766 0.113 0.192 {?} 1.619 1.035 1.478 2432.947 342.678 0 0 431 {?} 8.540 0.049 0.097 {?} 126.540 0.178 0.255 {?} 1.247 1.224 1.749 1037.075 55.787 0 0 432 {117.H} 8.795 0.028 0.082 {117.N} 126.756 0.155 0.221 {116.HG11} 1.195 1.167 1.881 1490.331 14.653 0 0 433 {?} 8.540 0.028 0.082 {?} 126.552 0.155 0.221 {?} 1.095 1.167 1.881 4380.172 32.683 0 0 434 {?} 8.794 0.028 0.082 {?} 126.753 0.155 0.221 {?} 0.909 1.167 1.881 6307.555 31.973 0 0 435 {?} 8.793 0.028 0.082 {?} 126.764 0.155 0.221 {?} 0.497 1.167 1.881 464.605 68.869 0 0 436 {61.H} 9.100 0.028 0.082 {61.N} 126.339 0.155 0.221 {47.H} 9.715 1.167 1.881 116.255 68.869 0 0 437 {?} 9.123 0.050 0.115 {?} 126.187 0.091 0.267 {?} 9.467 1.116 1.594 72.912 3.031 0 0 438 {160.H} 8.682 0.026 0.053 {160.N} 126.341 0.160 0.248 {161.H} 9.248 0.969 1.954 114.543 5.459 0 0 439 {51.H 61.H} 9.107 0.026 0.053 {51.N 61.N} 126.278 0.160 0.248 {51.H 61.H} 9.108 0.969 1.954 10994.300 5.459 0 0 440 {?} 9.105 0.031 0.082 {?} 126.293 0.077 0.174 {?} 8.868 1.273 1.819 1666.927 25.248 0 0 441 {51.H} 9.109 0.031 0.082 {51.N} 126.275 0.077 0.174 {50.H} 8.652 1.273 1.819 935.848 25.248 0 0 442 {?} 9.112 0.039 0.067 {?} 126.249 0.091 0.131 {?} 8.482 1.295 1.850 111.263 3.655 0 0 443 {51.H} 9.114 0.039 0.067 {51.N} 126.238 0.091 0.131 {55.H} 8.285 1.295 1.850 1464.180 2.659 0 0 444 {51.H} 9.114 0.039 0.067 {51.N} 126.245 0.091 0.131 {54.H} 8.165 1.295 1.850 1178.740 2.533 0 0 445 {160.H} 8.679 0.039 0.067 {160.N} 126.367 0.091 0.131 {159.H} 8.061 1.295 1.850 224.087 1.861 0 0 446 {51.H} 9.120 0.029 0.077 {51.N} 126.204 0.152 0.217 {82.H} 7.986 1.120 2.006 134.133 3.430 0 0 447 {160.H} 8.679 0.026 0.375 {160.N} 126.400 0.099 0.141 {165.H} 7.611 1.125 2.015 1023.469 10.682 0 0 448 {?} 9.100 0.026 0.037 {?} 126.298 0.108 0.154 {?} 7.435 0.830 2.306 885.452 6.857 0 0 449 {?} 9.117 0.053 0.132 {?} 126.233 0.085 0.225 {?} 7.181 1.189 1.930 72.136 2.826 0 0 450 {?} 9.100 0.024 0.035 {?} 126.288 0.206 0.294 {?} 7.012 0.991 1.656 586.745 10.841 0 0 451 {?} 8.682 0.039 0.262 {?} 126.348 0.138 0.268 {?} 7.014 1.030 2.099 82.188 8.439 0 0 452 {?} 8.679 0.026 0.037 {?} 126.435 0.123 0.175 {?} 6.851 1.197 1.871 44.606 15.088 0 0 453 {?} 9.119 0.033 0.048 {?} 126.207 0.122 0.124 {?} 6.699 0.571 1.284 602.797 30.151 0 0 454 {?} 8.676 0.033 0.048 {?} 126.409 0.122 0.124 {?} 6.382 0.571 1.284 29.407 30.151 0 0 455 {?} 9.101 0.033 0.048 {?} 126.294 0.122 0.124 {?} 6.164 0.571 1.284 778.225 30.151 0 0 456 {?} 8.674 0.033 0.048 {?} 126.378 0.122 0.124 {?} 6.120 0.571 1.284 31.116 30.151 0 0 457 {?} 9.101 0.033 0.048 {?} 126.323 0.122 0.124 {?} 5.370 0.571 1.284 984.394 34.400 0 0 458 {?} 8.681 0.033 0.048 {?} 126.441 0.122 0.124 {?} 5.329 0.571 1.284 50.266 34.400 0 0 459 {?} 9.107 0.033 0.048 {?} 126.278 0.122 0.124 {?} 5.052 0.571 1.284 1502.200 2.272 0 0 460 {?} 8.676 0.058 0.089 {?} 126.275 0.069 0.108 {?} 4.950 1.168 1.748 45.905 7.020 0 0 461 {?} 8.677 0.058 0.089 {?} 126.329 0.069 0.108 {?} 4.652 1.168 1.748 480.485 7.020 0 0 462 {?} 9.107 0.058 0.089 {?} 126.276 0.069 0.108 {?} 4.633 1.168 1.748 1644.816 7.020 0 0 463 {?} 8.675 0.050 0.101 {?} 126.358 0.116 0.214 {?} 4.424 1.138 2.054 1108.142 49.649 0 0 464 {?} 9.104 0.050 0.101 {?} 126.212 0.116 0.214 {?} 4.409 1.138 2.054 1269.090 49.649 0 0 465 {160.H} 8.679 0.050 0.101 {160.N} 126.431 0.116 0.214 {159.HA} 4.318 1.138 2.054 737.371 49.649 0 0 466 {61.H} 9.100 0.026 0.037 {61.N} 126.306 0.111 0.204 {60.HB2} 4.101 1.153 1.857 1165.440 32.600 0 0 467 {61.H} 9.104 0.026 0.037 {61.N} 126.290 0.111 0.204 {60.HB3} 3.910 1.153 1.857 239.196 32.600 0 0 468 {?} 8.540 0.026 0.037 {?} 126.413 0.111 0.204 {?} 3.606 1.153 1.857 38.570 32.600 0 0 469 {?} 9.114 0.084 0.197 {?} 126.233 0.047 0.211 {?} 3.430 0.929 2.025 1076.958 14.882 0 0 470 {?} 8.540 0.084 0.197 {?} 126.384 0.047 0.211 {?} 3.342 0.929 2.025 22.762 1853.919 0 0 471 {?} 9.105 0.084 0.197 {?} 126.293 0.047 0.211 {?} 3.184 0.929 2.025 1432.388 1853.919 0 0 472 {?} 8.542 0.084 0.197 {?} 126.478 0.047 0.211 {?} 3.158 0.929 2.025 391.267 1853.919 0 0 473 {51.H} 9.119 0.084 0.197 {51.N} 126.203 0.047 0.211 {51.HB2} 3.013 0.929 2.025 1128.967 119.694 0 0 474 {160.H} 8.679 0.084 0.197 {160.N} 126.333 0.047 0.211 {160.HB2} 2.980 0.929 2.025 1271.986 119.694 0 0 475 {51.H} 9.116 0.020 0.074 {51.N} 126.238 0.121 0.246 {51.HB3} 2.592 1.162 2.043 1362.446 1.881 0 0 476 {?} 8.680 0.020 0.074 {?} 126.346 0.121 0.246 {?} 2.358 1.162 2.043 1400.556 297.778 0 0 477 {?} 9.107 0.020 0.074 {?} 126.284 0.121 0.246 {?} 2.327 1.162 2.043 669.729 297.778 0 0 478 {?} 8.678 0.020 0.074 {?} 126.349 0.121 0.246 {?} 2.152 1.162 2.043 754.870 297.778 0 0 479 {?} 9.110 0.020 0.074 {?} 126.251 0.121 0.246 {?} 2.101 1.162 2.043 1937.055 23.525 0 0 480 {?} 8.677 0.017 0.023 {?} 126.302 0.032 0.043 {?} 2.022 1.125 1.552 837.231 1.931 0 0 481 {?} 9.104 0.026 0.082 {?} 126.256 0.118 0.289 {?} 1.895 1.003 1.958 1128.931 4.367 0 0 482 {?} 9.114 0.026 0.082 {?} 126.246 0.118 0.289 {?} 1.684 1.003 1.958 4340.327 17.788 0 0 483 {?} 9.253 0.026 0.082 {?} 126.234 0.118 0.289 {?} 1.195 1.003 1.958 152.644 13.923 0 0 484 {?} 8.680 0.026 0.082 {?} 126.440 0.118 0.289 {?} 1.212 1.003 1.958 393.051 18.508 0 0 485 {?} 9.104 0.026 0.082 {?} 126.294 0.118 0.289 {?} 1.151 1.003 1.958 6293.680 28.672 0 0 486 {?} 8.679 0.026 0.082 {?} 126.368 0.118 0.289 {?} 0.933 1.003 1.958 6333.595 16.426 0 0 487 {?} 9.101 0.063 0.085 {?} 126.305 0.072 0.098 {?} 0.879 0.698 2.105 4317.229 13.187 0 0 488 {?} 8.680 0.063 0.085 {?} 126.342 0.072 0.098 {?} 0.789 0.698 2.105 2223.021 13.187 0 0 489 {?} 9.110 0.063 0.085 {?} 126.256 0.072 0.098 {?} 0.774 0.698 2.105 2519.350 17.065 0 0 490 {?} 9.104 0.063 0.085 {?} 126.298 0.072 0.098 {?} 0.572 0.698 2.105 1027.693 27.008 0 0 491 {?} 8.681 0.033 0.057 {?} 126.355 0.153 0.213 {?} 0.501 0.901 1.687 1488.351 9.547 0 0 492 {?} 9.120 0.022 0.014 {?} 126.212 0.048 0.033 {?} 0.359 1.028 0.702 510.062 7.148 0 0 493 {61.H} 9.098 0.033 0.072 {61.N} 126.285 0.092 0.232 {67.HD12} 0.067 0.993 2.132 116.091 13.170 0 0 494 {160.H} 8.680 0.020 0.006 {160.N} 126.363 0.107 0.031 {159.HG13} -0.400 0.938 0.273 1187.601 5.511 0 0 495 {161.H} 9.251 0.020 0.030 {161.N} 126.168 0.098 0.188 {119.H} 9.584 1.005 1.764 80.973 2.116 0 0 496 {161.H} 9.255 0.029 0.060 {161.N} 126.077 0.100 0.104 {161.H} 9.254 0.846 0.885 5268.768 8.353 0 0 497 {161.H} 9.255 0.029 0.060 {161.N} 126.102 0.100 0.104 {160.H} 8.697 0.846 0.885 302.622 8.353 0 0 498 {81.H 160.H} 8.669 0.029 0.060 {81.N 160.N} 126.146 0.100 0.104 {81.H 160.H} 8.677 0.846 0.885 6166.545 8.353 0 0 499 {161.H} 9.255 0.037 0.052 {161.N} 126.101 0.163 0.119 {162.H} 8.339 0.883 0.610 1391.740 3.642 0 0 500 {81.H} 8.666 0.023 0.040 {81.N} 126.036 0.102 0.210 {82.H} 7.965 1.042 1.845 612.993 2.895 0 0 501 {?} 7.956 0.029 0.017 {?} 126.052 0.141 0.038 {?} 7.956 0.714 0.179 616.018 4.426 0 0 502 {161.H} 9.254 0.044 0.018 {161.N} 126.054 0.170 0.111 {164.H} 7.913 1.199 0.576 76.312 15.432 0 0 503 {?} 8.660 0.026 0.050 {?} 126.051 0.168 0.239 {?} 7.735 1.036 1.913 183.654 2.850 0 0 504 {51.H} 9.117 0.026 0.050 {51.N} 126.172 0.168 0.239 {52.H} 7.687 1.036 1.913 413.722 2.850 0 0 505 {161.H} 9.254 0.028 0.012 {161.N} 126.110 0.100 0.143 {163.H} 7.667 1.813 0.689 359.743 5.697 0 0 506 {161.H} 9.254 0.028 0.012 {161.N} 126.089 0.100 0.143 {161.HD1} 7.497 1.813 0.689 1478.742 5.697 0 0 507 {?} 8.662 0.025 0.040 {?} 126.006 0.131 0.187 {?} 7.401 0.868 1.769 231.836 9.071 0 0 508 {?} 9.254 0.020 0.026 {?} 126.092 0.039 0.030 {?} 7.016 1.402 0.449 401.180 3.653 0 0 509 {?} 8.669 0.020 0.026 {?} 125.996 0.039 0.030 {?} 6.529 1.402 0.449 120.455 3.653 0 0 510 {?} 8.133 0.030 0.052 {?} 126.023 0.217 0.310 {?} 6.191 0.890 1.551 9.815 3.599 0 0 511 {?} 8.664 0.023 0.029 {?} 126.050 0.196 0.280 {?} 5.464 0.839 1.090 330.326 10.322 0 0 512 {?} 8.671 0.023 0.016 {?} 126.181 0.112 0.071 {?} 5.173 1.146 0.722 70.531 8.698 0 0 513 {161.H} 9.257 0.023 0.016 {161.N} 126.109 0.112 0.071 {160.HA} 4.859 1.146 0.722 139.394 8.698 0 0 514 {161.H} 9.257 0.023 0.016 {161.N} 126.080 0.112 0.071 {159.HA} 4.257 1.146 0.722 158.386 8.698 0 0 515 {161.H} 9.256 0.025 0.042 {161.N} 126.048 0.126 0.214 {161.HA} 4.139 0.789 1.816 470.184 8.968 0 0 516 {?} 8.666 0.025 0.042 {?} 125.937 0.126 0.214 {?} 3.754 0.789 1.816 28.576 8.968 0 0 517 {?} 8.665 0.025 0.042 {?} 125.928 0.126 0.214 {?} 3.386 0.789 1.816 366.088 8.968 0 0 518 {161.H} 9.255 0.028 0.015 {161.N} 126.090 0.126 0.070 {161.HB2} 3.334 1.625 0.972 1141.241 63.308 0 0 519 {81.H} 8.664 0.028 0.015 {81.N} 125.983 0.126 0.070 {80.HA} 3.144 1.625 0.972 2466.690 63.308 0 0 520 {161.H} 9.256 0.028 0.015 {161.N} 126.075 0.126 0.070 {161.HB3} 2.863 1.625 0.972 1124.380 63.308 0 0 521 {?} 9.261 0.032 0.055 {?} 126.031 0.157 0.236 {?} 2.351 1.063 1.913 278.005 27.892 0 0 522 {?} 9.257 0.032 0.055 {?} 126.029 0.157 0.236 {?} 2.031 1.063 1.913 771.855 27.892 0 0 523 {81.H} 8.664 0.025 0.044 {81.N} 125.976 0.167 0.240 {81.HB2} 1.703 0.846 1.805 3285.201 14.545 0 0 524 {?} 9.254 0.034 0.083 {?} 126.070 0.142 0.327 {?} 1.566 1.182 2.089 2206.767 7.779 0 0 525 {81.H} 8.666 0.024 0.054 {81.N} 126.048 0.166 0.310 {80.HB2} 1.508 1.027 2.065 2059.836 9.079 0 0 526 {?} 8.665 0.025 0.052 {?} 125.976 0.151 0.242 {?} 1.387 0.776 1.108 1294.508 15.929 0 0 527 {?} 9.254 0.013 0.034 {?} 126.068 0.087 0.113 {?} 0.932 1.046 1.561 3516.929 17.743 0 0 528 {?} 8.664 0.034 0.077 {?} 125.996 0.175 0.301 {?} 0.616 1.117 2.081 3751.347 9.964 0 0 529 {?} 8.661 0.025 0.034 {?} 125.898 0.096 0.132 {?} 0.360 1.015 1.431 634.578 3.888 0 0 530 {161.H 161.H} 9.253 0.028 0.063 {161.N 161.N} 126.124 0.100 0.186 {159.HG12 159.HG13} -0.405 0.967 1.823 182.393 14.471 0 0 531 {?} 8.126 0.028 0.063 {?} 125.686 0.100 0.186 {?} 9.480 0.967 1.823 76.945 14.471 0 0 532 {56.H} 8.122 0.028 0.063 {56.N} 125.710 0.100 0.186 {57.H} 8.983 0.967 1.823 160.623 14.471 0 0 533 {56.H} 8.123 0.025 0.027 {56.N} 125.694 0.093 0.104 {56.H} 8.134 0.962 1.077 4939.046 24.093 0 0 534 {56.H} 8.121 0.024 0.011 {56.N} 125.677 0.116 0.056 {114.H} 7.683 1.019 0.489 188.195 7.216 0 0 535 {?} 8.122 0.026 0.019 {?} 125.665 0.166 0.107 {?} 7.162 0.792 1.362 85.812 8.812 0 0 536 {?} 8.124 0.032 0.031 {?} 125.690 0.152 0.151 {?} 6.951 1.009 0.982 955.880 18.855 0 0 537 {?} 8.125 0.032 0.031 {?} 125.760 0.152 0.151 {?} 6.698 1.009 0.982 236.015 18.855 0 0 538 {?} 8.121 0.032 0.031 {?} 125.681 0.152 0.151 {?} 5.046 1.009 0.982 205.954 18.855 0 0 539 {?} 8.126 0.032 0.031 {?} 125.670 0.152 0.151 {?} 4.904 1.009 0.982 302.180 18.855 0 0 540 {?} 8.114 0.023 0.020 {?} 125.774 0.035 0.064 {?} 4.787 1.006 0.836 248.672 13.873 0 0 541 {?} 8.124 0.023 0.020 {?} 125.656 0.035 0.064 {?} 4.519 1.006 0.836 420.228 13.873 0 0 542 {56.H} 8.123 0.023 0.020 {56.N} 125.679 0.035 0.064 {55.HA} 4.269 1.006 0.836 928.471 13.873 0 0 543 {?} 9.416 0.030 0.063 {?} 125.560 0.163 0.253 {?} 4.119 1.140 1.967 39.753 7.397 0 0 544 {56.H} 8.118 0.026 0.037 {56.N} 125.604 0.197 0.123 {113.HA} 3.840 0.811 0.434 15.959 9.525 0 0 545 {56.H} 8.124 0.017 0.024 {56.N} 125.699 0.113 0.061 {55.HB2} 2.413 1.367 0.709 670.932 5.608 0 0 546 {56.H} 8.124 0.035 0.059 {56.N} 125.685 0.126 0.181 {55.HB3} 2.067 1.129 1.700 2480.002 17.168 0 0 547 {?} 8.124 0.035 0.059 {?} 125.691 0.126 0.181 {?} 1.937 1.129 1.700 2096.128 17.168 0 0 548 {?} 8.125 0.035 0.059 {?} 125.683 0.126 0.181 {?} 1.260 1.129 1.700 869.829 17.168 0 0 549 {?} 8.124 0.025 0.067 {?} 125.695 0.089 0.223 {?} 1.121 1.106 1.993 1709.819 31.985 0 0 550 {?} 8.123 0.025 0.067 {?} 125.704 0.089 0.223 {?} 1.010 1.106 1.993 1785.322 31.985 0 0 551 {56.H 56.H 56.H} 8.123 0.025 0.067 {56.N 56.N 56.N} 125.698 0.089 0.223 {56.HD21 56.HD22 56.HD23} 0.769 1.106 1.993 1745.831 31.985 0 0 552 {48.H} 9.415 0.020 0.012 {48.N} 125.405 0.221 0.107 {47.H} 9.712 1.119 0.449 263.668 14.089 0 0 553 {59.H} 9.313 0.026 0.037 {59.N} 125.420 0.100 0.055 {47.H} 9.714 1.094 0.600 533.341 28.629 0 0 554 {48.H} 9.418 0.027 0.074 {48.N} 125.376 0.180 0.257 {48.H} 9.420 1.044 2.036 5360.707 41.289 0 0 555 {59.H} 9.312 0.027 0.074 {59.N} 125.417 0.180 0.257 {59.H} 9.309 1.044 2.036 5525.927 5.743 0 0 556 {?} 9.311 0.028 0.010 {?} 125.415 0.103 0.027 {?} 9.016 0.881 0.230 162.298 31.016 0 0 557 {59.H} 9.311 0.028 0.010 {59.N} 125.370 0.103 0.027 {60.H} 8.824 0.881 0.230 421.118 5.022 0 0 558 {?} 7.674 0.028 0.010 {?} 125.452 0.103 0.027 {?} 7.672 0.881 0.230 144.792 7.881 0 0 559 {?} 9.420 0.028 0.010 {?} 125.366 0.103 0.027 {?} 7.479 0.881 0.230 438.653 38.571 0 0 560 {?} 9.419 0.028 0.010 {?} 125.395 0.103 0.027 {?} 7.371 0.881 0.230 268.596 38.571 0 0 561 {48.H 48.H} 9.417 0.028 0.010 {48.N 48.N} 125.380 0.103 0.027 {48.HD1 48.HD2} 7.126 0.881 0.230 1282.874 38.571 0 0 562 {?} 9.311 0.028 0.010 {?} 125.368 0.103 0.027 {?} 7.113 0.881 0.230 656.016 38.571 0 0 563 {?} 9.427 0.028 0.010 {?} 125.374 0.103 0.027 {?} 6.172 0.881 0.230 20.597 38.571 0 0 564 {?} 9.313 0.028 0.010 {?} 125.428 0.103 0.027 {?} 6.165 0.881 0.230 144.086 38.571 0 0 565 {?} 9.312 0.028 0.010 {?} 125.410 0.103 0.027 {?} 5.665 0.881 0.230 1612.603 38.571 0 0 566 {?} 9.417 0.032 0.105 {?} 125.395 0.248 0.354 {?} 5.385 1.033 2.152 453.669 5.724 0 0 567 {59.H} 9.314 0.037 0.052 {59.N} 125.432 0.126 0.181 {57.HA} 5.395 1.109 2.049 186.861 4.325 0 0 568 {?} 9.410 0.037 0.052 {?} 125.403 0.126 0.181 {?} 5.142 1.109 2.049 121.760 4.325 0 0 569 {?} 9.315 0.037 0.052 {?} 125.407 0.126 0.181 {?} 5.135 1.109 2.049 218.923 4.325 0 0 570 {?} 9.412 0.058 0.082 {?} 125.395 0.096 0.163 {?} 4.887 0.941 1.487 157.198 10.632 0 0 571 {?} 9.308 0.037 0.052 {?} 125.444 0.117 0.147 {?} 4.897 0.633 1.581 306.154 9.774 0 0 572 {?} 9.414 0.060 0.025 {?} 125.461 0.118 0.065 {?} 4.553 0.910 0.503 131.282 2.105 0 0 573 {?} 9.313 0.060 0.025 {?} 125.385 0.118 0.065 {?} 4.406 0.910 0.503 276.088 2.105 0 0 574 {?} 9.417 0.060 0.025 {?} 125.416 0.118 0.065 {?} 4.328 0.910 0.503 129.108 2.105 0 0 575 {?} 9.317 0.038 0.059 {?} 125.495 0.067 0.223 {?} 4.147 0.866 1.561 34.874 6.548 0 0 576 {?} 9.312 0.055 0.107 {?} 125.414 0.072 0.202 {?} 3.806 0.901 1.345 220.135 2.213 0 0 577 {?} 9.419 0.055 0.107 {?} 125.435 0.072 0.202 {?} 3.778 0.901 1.345 183.284 2.030 0 0 578 {?} 9.421 0.036 0.057 {?} 125.375 0.126 0.181 {?} 3.601 1.126 1.701 296.814 8.502 0 0 579 {48.H} 9.418 0.036 0.057 {48.N} 125.381 0.126 0.181 {48.HB2} 3.311 1.126 1.701 1712.782 8.502 0 0 580 {?} 9.315 0.036 0.057 {?} 125.456 0.126 0.181 {?} 3.323 1.126 1.701 191.557 8.502 0 0 581 {?} 9.307 0.032 0.061 {?} 125.369 0.150 0.291 {?} 3.115 0.967 1.921 15.914 5.021 0 0 582 {?} 9.419 0.035 0.033 {?} 125.415 0.089 0.083 {?} 2.997 1.282 1.188 149.685 1.974 0 0 583 {59.H} 9.311 0.035 0.033 {59.N} 125.409 0.089 0.083 {57.HB2} 2.978 1.282 1.188 310.940 1.974 0 0 584 {48.H} 9.418 0.035 0.033 {48.N} 125.387 0.089 0.083 {48.HB3} 2.741 1.282 1.188 1432.806 1.974 0 0 585 {?} 9.308 0.068 0.097 {?} 125.379 0.097 0.221 {?} 2.734 1.289 2.345 538.876 4.946 0 0 586 {?} 9.310 0.019 0.016 {?} 125.418 0.030 0.056 {?} 2.598 1.255 1.057 488.275 2.789 0 0 587 {?} 9.418 0.019 0.016 {?} 125.373 0.030 0.056 {?} 2.137 1.255 1.057 816.557 2.789 0 0 588 {59.H} 9.312 0.019 0.016 {59.N} 125.418 0.030 0.056 {58.HB2} 2.110 1.255 1.057 1984.477 2.789 0 0 589 {?} 9.418 0.034 0.048 {?} 125.397 0.120 0.231 {?} 1.939 1.308 1.832 1697.169 6.561 0 0 590 {59.H} 9.312 0.034 0.048 {59.N} 125.417 0.120 0.231 {59.HB} 1.924 1.308 1.832 2737.701 6.561 0 0 591 {?} 9.417 0.034 0.048 {?} 125.386 0.120 0.231 {?} 1.774 1.308 1.832 1939.774 6.561 0 0 592 {59.H} 9.313 0.023 0.032 {59.N} 125.417 0.128 0.236 {47.HB3} 1.779 1.126 1.872 2413.299 2.537 0 0 593 {59.H} 9.311 0.027 0.055 {59.N} 125.422 0.085 0.301 {59.HG12} 1.542 2.297 3.281 2661.831 8.668 0 0 594 {48.H} 9.417 0.027 0.055 {48.N} 125.388 0.085 0.301 {47.HB2} 1.477 2.297 3.281 1376.120 8.668 0 0 595 {?} 9.418 0.027 0.055 {?} 125.376 0.085 0.301 {?} 1.169 2.297 3.281 745.915 8.668 0 0 596 {59.H} 9.313 0.033 0.081 {59.N} 125.394 0.151 0.280 {59.HG13} 1.189 1.183 1.991 1317.468 7.969 0 0 597 {?} 9.418 0.033 0.081 {?} 125.394 0.151 0.280 {?} 0.978 1.183 1.991 1798.642 7.969 0 0 598 {?} 9.418 0.043 0.055 {?} 125.380 0.095 0.127 {?} 0.865 0.942 1.269 2724.256 30.280 0 0 599 {?} 9.312 0.047 0.059 {?} 125.412 0.111 0.143 {?} 0.886 0.882 1.060 7035.351 6.531 0 0 600 {?} 9.312 0.020 0.082 {?} 125.417 0.070 0.156 {?} 0.772 1.147 1.975 3902.760 5.122 0 0 601 {48.H 48.H} 9.419 0.020 0.082 {48.N 48.N} 125.404 0.070 0.156 {49.HD22 49.HD23} 0.409 1.147 1.975 404.652 5.122 0 0 602 {?} 8.282 0.020 0.082 {?} 125.176 0.070 0.156 {?} 8.290 1.147 1.975 482.476 5.122 0 0 603 {27.H} 8.967 0.020 0.082 {27.N} 124.975 0.070 0.156 {26.H} 7.930 1.147 1.975 175.734 5.122 0 0 604 {?} 8.970 0.020 0.082 {?} 124.973 0.070 0.156 {?} 2.218 1.147 1.975 210.946 5.122 0 0 605 {167.H} 8.686 0.065 0.130 {167.N} 124.680 0.182 0.260 {158.H} 9.034 1.153 1.647 44.184 11.137 0 0 606 {27.H} 8.970 0.065 0.130 {27.N} 124.882 0.182 0.260 {27.H} 8.966 1.153 1.647 1456.260 11.137 0 0 607 {27.H} 8.969 0.050 0.112 {27.N} 124.878 0.140 0.200 {28.H} 8.146 0.537 2.163 662.277 15.647 0 0 608 {?} 8.039 0.050 0.112 {?} 124.753 0.140 0.200 {?} 8.040 0.537 2.163 10.514 15.647 0 0 609 {?} 7.955 0.050 0.112 {?} 124.665 0.140 0.200 {?} 7.950 0.537 2.163 31.124 15.647 0 0 610 {?} 7.577 0.024 0.111 {?} 124.843 0.102 0.145 {?} 7.577 1.123 1.983 96.277 565.623 0 0 611 {?} 8.969 0.024 0.111 {?} 124.876 0.102 0.145 {?} 7.329 1.123 1.983 760.800 565.623 0 0 612 {?} 8.690 0.024 0.111 {?} 124.727 0.102 0.145 {?} 4.554 1.123 1.983 413.524 565.623 0 0 613 {?} 8.969 0.024 0.111 {?} 124.810 0.102 0.145 {?} 4.473 1.123 1.983 286.382 4.156 0 0 614 {?} 8.691 0.024 0.111 {?} 124.642 0.102 0.145 {?} 4.440 1.123 1.983 970.889 44.086 0 0 615 {?} 8.971 0.024 0.111 {?} 124.839 0.102 0.145 {?} 4.318 1.123 1.983 234.414 44.086 0 0 616 {?} 8.969 0.058 0.082 {?} 124.840 0.157 0.283 {?} 4.189 1.094 2.345 607.059 24.469 0 0 617 {27.H} 8.970 0.052 0.143 {27.N} 124.871 0.157 0.269 {26.HA} 4.083 1.085 1.993 1295.980 199.592 0 0 618 {27.H} 8.970 0.052 0.143 {27.N} 124.849 0.157 0.269 {27.HB2} 3.246 1.085 1.993 919.513 199.592 0 0 619 {27.H} 8.969 0.052 0.143 {27.N} 124.880 0.157 0.269 {27.HB3} 3.082 1.085 1.993 601.109 199.592 0 0 620 {?} 8.963 0.028 0.052 {?} 124.876 0.211 0.301 {?} 2.354 0.670 2.106 129.612 1.964 0 0 621 {27.H} 8.969 0.028 0.052 {27.N} 124.859 0.211 0.301 {26.HB} 1.999 0.670 2.106 288.806 1.790 0 0 622 {27.H} 8.977 0.028 0.052 {27.N} 124.923 0.211 0.301 {25.HB2} 1.718 0.670 2.106 141.885 5.547 0 0 623 {167.H} 8.689 0.028 0.052 {167.N} 124.761 0.211 0.301 {119.HG2} 1.481 0.670 2.106 193.979 3.851 0 0 624 {27.H} 8.969 0.028 0.052 {27.N} 124.899 0.211 0.301 {26.HG13} 0.915 0.670 2.106 1358.780 7.861 0 0 625 {?} 8.860 0.028 0.052 {?} 124.653 0.211 0.301 {?} -2.190 0.670 2.106 10.791 10.818 0 0 626 {118.H} 8.177 0.035 0.097 {118.N} 124.402 0.295 0.421 {119.H} 9.590 1.073 1.532 231.755 1.985 0 0 627 {118.H} 8.174 0.035 0.097 {118.N} 124.429 0.295 0.421 {61.H} 9.117 1.073 1.532 103.294 10.178 0 0 628 {145.H} 9.055 0.035 0.097 {145.N} 124.418 0.295 0.421 {145.H} 9.050 1.073 1.532 5303.129 4.842 0 0 629 {?} 8.174 0.026 0.052 {?} 124.413 0.215 0.289 {?} 8.929 1.159 1.961 369.694 13.941 0 0 630 {?} 9.055 0.026 0.052 {?} 124.430 0.215 0.289 {?} 8.818 1.159 1.961 866.067 22.377 0 0 631 {118.H} 8.174 0.026 0.052 {118.N} 124.431 0.215 0.289 {60.H} 8.806 1.159 1.961 609.557 43.162 0 0 632 {145.H} 9.054 0.105 0.299 {145.N} 124.427 0.126 0.180 {148.H} 8.701 1.323 1.890 472.960 4.612 0 0 633 {118.H} 8.175 0.105 0.299 {118.N} 124.394 0.126 0.180 {122.H} 8.607 1.323 1.890 140.446 5.976 0 0 634 {145.H} 9.055 0.037 0.052 {145.N} 124.423 0.108 0.187 {146.H} 8.449 0.538 1.895 1898.648 2.122 0 0 635 {?} 9.057 0.055 0.277 {?} 124.414 0.076 0.209 {?} 8.278 1.206 1.723 143.192 5.748 0 0 636 {118.H} 8.174 0.043 0.112 {118.N} 124.442 0.081 0.116 {118.H} 8.181 1.100 1.967 3539.507 2.645 0 0 637 {145.H} 9.054 0.043 0.112 {145.N} 124.416 0.081 0.116 {142.HE22} 8.072 1.100 1.967 100.533 2.455 0 0 638 {?} 8.692 0.043 0.112 {?} 124.580 0.081 0.116 {?} 7.934 1.100 1.967 2151.224 2.455 0 0 639 {89.H} 7.829 0.043 0.112 {89.N} 124.329 0.081 0.116 {89.H} 7.818 1.100 1.967 5347.362 1.948 0 0 640 {?} 8.690 0.043 0.112 {?} 124.532 0.081 0.116 {?} 7.811 1.100 1.967 453.059 1.948 0 0 641 {?} 7.768 0.043 0.112 {?} 124.401 0.081 0.116 {?} 7.765 1.100 1.967 1386.112 1.910 0 0 642 {?} 7.765 0.043 0.112 {?} 124.402 0.081 0.116 {?} 7.635 1.100 1.967 42.659 1.910 0 0 643 {89.H} 7.828 0.043 0.112 {89.N} 124.364 0.081 0.116 {92.H} 7.540 1.100 1.967 379.444 1.910 0 0 644 {?} 8.174 0.043 0.112 {?} 124.428 0.081 0.116 {?} 7.494 1.100 1.967 620.256 4.680 0 0 645 {?} 8.690 0.043 0.112 {?} 124.437 0.081 0.116 {?} 7.445 1.100 1.967 151.672 10.268 0 0 646 {89.H} 7.829 0.043 0.112 {89.N} 124.353 0.081 0.116 {91.H} 7.351 1.100 1.967 876.135 10.268 0 0 647 {?} 9.057 0.043 0.112 {?} 124.423 0.081 0.116 {?} 7.281 1.100 1.967 316.276 10.268 0 0 648 {118.H} 8.174 0.028 0.067 {118.N} 124.455 0.112 0.160 {121.H} 7.221 1.669 2.385 327.416 50.675 0 0 649 {?} 7.829 0.028 0.067 {?} 124.319 0.112 0.160 {?} 7.166 1.669 2.385 1693.582 78.660 0 0 650 {?} 8.697 0.028 0.067 {?} 124.426 0.112 0.160 {?} 7.024 1.669 2.385 147.744 78.660 0 0 651 {?} 8.174 0.028 0.067 {?} 124.415 0.112 0.160 {?} 7.012 1.669 2.385 1002.258 10.482 0 0 652 {?} 9.054 0.028 0.067 {?} 124.376 0.112 0.160 {?} 6.970 1.669 2.385 345.908 10.482 0 0 653 {89.H} 7.829 0.028 0.067 {89.N} 124.329 0.112 0.160 {88.H} 6.942 1.669 2.385 2126.963 6.380 0 0 654 {?} 8.174 0.028 0.067 {?} 124.347 0.112 0.160 {?} 6.807 1.669 2.385 158.748 5.358 0 0 655 {?} 8.695 0.028 0.067 {?} 124.509 0.112 0.160 {?} 6.790 1.669 2.385 32.214 5.358 0 0 656 {?} 8.693 0.028 0.067 {?} 124.390 0.112 0.160 {?} 6.623 1.669 2.385 57.737 7.955 0 0 657 {?} 9.058 0.018 0.017 {?} 124.357 0.054 0.049 {?} 6.534 0.790 0.718 30.210 2.097 0 0 658 {?} 7.827 0.079 0.112 {?} 124.378 0.093 0.170 {?} 6.530 0.906 1.295 218.475 11.359 0 0 659 {?} 9.056 0.037 0.052 {?} 124.426 0.098 0.143 {?} 6.151 0.822 1.502 220.541 3.320 0 0 660 {?} 8.690 0.041 0.097 {?} 124.552 0.134 0.191 {?} 6.159 1.223 1.747 119.130 11.217 0 0 661 {?} 7.827 0.041 0.097 {?} 124.332 0.134 0.191 {?} 6.068 1.223 1.747 86.728 11.217 0 0 662 {?} 9.058 0.041 0.097 {?} 124.473 0.134 0.191 {?} 5.986 1.223 1.747 141.008 11.217 0 0 663 {?} 8.687 0.041 0.097 {?} 124.492 0.134 0.191 {?} 5.994 1.223 1.747 41.112 10.107 0 0 664 {?} 8.697 0.041 0.097 {?} 124.465 0.134 0.191 {?} 5.746 1.223 1.747 328.916 10.107 0 0 665 {?} 7.826 0.041 0.097 {?} 124.406 0.134 0.191 {?} 5.654 1.223 1.747 67.045 4.448 0 0 666 {?} 8.693 0.041 0.097 {?} 124.500 0.134 0.191 {?} 5.452 1.223 1.747 219.143 28.756 0 0 667 {?} 9.059 0.041 0.097 {?} 124.386 0.134 0.191 {?} 5.414 1.223 1.747 127.240 28.756 0 0 668 {?} 7.825 0.041 0.097 {?} 124.412 0.134 0.191 {?} 5.411 1.223 1.747 43.835 6.208 0 0 669 {?} 8.695 0.041 0.097 {?} 124.452 0.134 0.191 {?} 5.341 1.223 1.747 228.901 6.208 0 0 670 {167.H} 8.691 0.041 0.097 {167.N} 124.432 0.134 0.191 {158.HA} 5.190 1.223 1.747 264.558 13.053 0 0 671 {?} 7.837 0.037 0.052 {?} 124.404 0.076 0.163 {?} 5.162 2.297 3.281 22.385 27.848 0 0 672 {?} 9.056 0.037 0.052 {?} 124.466 0.076 0.163 {?} 5.095 2.297 3.281 506.317 27.848 0 0 673 {?} 8.691 0.032 0.112 {?} 124.574 0.209 0.299 {?} 5.032 0.948 1.909 273.045 4.025 0 0 674 {?} 7.832 0.023 0.045 {?} 124.358 0.087 0.257 {?} 5.030 1.004 2.031 94.202 547.935 0 0 675 {?} 8.171 0.023 0.045 {?} 124.468 0.087 0.257 {?} 5.002 1.004 2.031 160.180 547.935 0 0 676 {?} 8.697 0.023 0.045 {?} 124.430 0.087 0.257 {?} 4.940 1.004 2.031 428.929 547.935 0 0 677 {?} 9.057 0.020 0.020 {?} 124.443 0.052 0.051 {?} 4.885 0.948 0.931 299.680 4.402 0 0 678 {118.H} 8.176 0.044 0.051 {118.N} 124.451 0.129 0.137 {117.HA} 4.871 1.212 1.301 434.954 5.374 0 0 679 {?} 8.692 0.016 0.028 {?} 124.479 0.145 0.129 {?} 4.793 0.956 0.808 676.350 15.084 0 0 680 {?} 8.690 0.044 0.053 {?} 124.509 0.095 0.109 {?} 4.683 1.300 1.510 852.397 36.790 0 0 681 {?} 7.825 0.044 0.053 {?} 124.348 0.095 0.109 {?} 4.685 1.300 1.510 122.806 36.790 0 0 682 {?} 8.176 0.044 0.053 {?} 124.406 0.095 0.109 {?} 4.478 1.300 1.510 220.156 36.790 0 0 683 {?} 7.826 0.021 0.014 {?} 124.376 0.146 0.091 {?} 4.480 1.123 0.672 105.476 1.930 0 0 684 {?} 8.169 0.033 0.049 {?} 124.401 0.076 0.115 {?} 4.341 0.834 1.354 360.403 39.515 0 0 685 {89.H} 7.829 0.036 0.067 {89.N} 124.346 0.104 0.149 {87.HA} 4.276 0.791 1.671 839.094 3.590 0 0 686 {118.H} 8.178 0.074 0.015 {118.N} 124.459 0.111 0.018 {121.HA} 4.249 0.743 0.119 195.122 2.152 0 0 687 {145.H} 9.056 0.035 0.023 {145.N} 124.417 0.110 0.055 {145.HA} 4.185 1.597 0.661 1674.144 153.818 0 0 688 {167.H} 8.695 0.035 0.023 {167.N} 124.452 0.110 0.055 {166.HA} 4.184 1.597 0.661 546.034 153.818 0 0 689 {118.H} 8.170 0.035 0.023 {118.N} 124.404 0.110 0.055 {60.HB3} 3.915 1.597 0.661 87.671 153.818 0 0 690 {145.H} 9.054 0.027 0.041 {145.N} 124.368 0.159 0.233 {148.HB2} 3.797 0.986 1.789 247.411 2.682 0 0 691 {?} 7.829 0.020 0.006 {?} 124.377 0.135 0.041 {?} 3.583 0.928 0.275 168.833 19.297 0 0 692 {?} 7.828 0.020 0.006 {?} 124.347 0.135 0.041 {?} 3.321 0.928 0.275 142.567 19.297 0 0 693 {145.H} 9.055 0.028 0.025 {145.N} 124.424 0.103 0.089 {146.HD3} 3.275 1.038 1.981 168.654 13.800 0 0 694 {118.H 118.H} 8.174 0.012 0.014 {118.N 118.N} 124.428 0.100 0.039 {118.HB2 118.HB3} 3.179 0.949 0.368 2032.572 5.335 0 0 695 {?} 7.829 0.042 0.040 {?} 124.404 0.201 0.194 {?} 3.177 1.412 1.325 231.153 4.004 0 0 696 {89.H 89.H} 7.829 0.045 0.060 {89.N 89.N} 124.321 0.106 0.156 {88.HG2 89.HA} 2.775 0.935 1.432 1961.460 4.011 0 0 697 {145.H} 9.055 0.044 0.066 {145.N} 124.412 0.108 0.160 {145.HB3} 2.495 1.041 1.672 2117.011 4.105 0 0 698 {?} 7.828 0.030 0.074 {?} 124.329 0.133 0.243 {?} 2.454 0.834 1.709 459.923 51.903 0 0 699 {?} 8.174 0.023 0.042 {?} 124.406 0.102 0.184 {?} 2.318 0.933 1.930 658.999 57.239 0 0 700 {?} 9.056 0.037 0.119 {?} 124.468 0.235 0.336 {?} 2.289 1.077 1.539 482.198 2.158 0 0 701 {?} 7.829 0.017 0.001 {?} 124.333 0.107 0.005 {?} 2.223 0.944 0.040 3904.208 3.373 0 0 702 {?} 8.174 0.025 0.009 {?} 124.504 0.105 0.042 {?} 2.106 0.741 0.301 332.770 34.044 0 0 703 {?} 9.055 0.024 0.024 {?} 124.410 0.113 0.118 {?} 2.090 0.982 1.023 2142.871 12.331 0 0 704 {?} 7.828 0.037 0.053 {?} 124.321 0.094 0.124 {?} 1.971 0.841 1.090 4978.797 3.046 0 0 705 {145.H} 9.054 0.034 0.063 {145.N} 124.419 0.092 0.269 {145.HG} 1.721 0.866 1.599 1369.042 8.752 0 0 706 {?} 7.827 0.054 0.046 {?} 124.349 0.123 0.101 {?} 1.667 0.827 0.674 126.878 36.162 0 0 707 {?} 8.174 0.026 0.044 {?} 124.420 0.164 0.266 {?} 1.580 0.898 2.068 2486.094 5.030 0 0 708 {145.H} 9.056 0.031 0.065 {145.N} 124.417 0.153 0.229 {145.HB2} 1.499 1.552 2.217 1861.272 4.054 0 0 709 {89.H} 7.830 0.031 0.039 {89.N} 124.323 0.306 0.438 {89.HB2} 1.430 1.868 2.668 1404.426 31.686 0 0 710 {145.H 145.H 145.H} 9.055 0.030 0.067 {145.N 145.N 145.N} 124.419 0.146 0.219 {145.HD11 145.HD12 145.HD13} 1.180 0.842 2.181 1281.243 11.572 0 0 711 {?} 8.174 0.030 0.067 {?} 124.435 0.146 0.219 {?} 1.159 0.842 2.181 1488.635 11.572 0 0 712 {?} 7.828 0.030 0.067 {?} 124.348 0.146 0.219 {?} 1.156 0.842 2.181 913.555 11.572 0 0 713 {118.H} 8.174 0.016 0.006 {118.N} 124.431 0.091 0.035 {117.HB3} 1.017 0.492 0.703 2900.541 11.841 0 0 714 {89.H} 7.826 0.021 0.003 {89.N} 124.389 0.193 0.024 {56.HD12} 1.017 1.038 0.133 55.294 7.558 0 0 715 {145.H 145.H} 9.055 0.027 0.059 {145.N 145.N} 124.415 0.087 0.237 {145.HD21 145.HD23} 0.952 0.933 1.333 4235.174 10.580 0 0 716 {?} 8.693 0.032 0.017 {?} 124.499 0.073 0.021 {?} 0.952 0.747 0.212 14901.817 2.263 0 0 717 {?} 8.174 0.043 0.077 {?} 124.430 0.113 0.208 {?} 0.889 0.987 1.864 3661.577 2.190 0 0 718 {167.H} 8.691 0.024 0.036 {167.N} 124.619 0.211 0.301 {167.HG21} 0.792 0.936 2.255 5443.073 2.572 0 0 719 {?} 7.828 0.023 0.058 {?} 124.323 0.110 0.158 {?} 0.796 0.789 2.123 871.778 15.296 0 0 720 {145.H 145.H 145.H} 9.056 0.029 0.015 {145.N 145.N 145.N} 124.400 0.152 0.072 {140.HG11 140.HG12 140.HG13} 0.765 0.789 0.325 558.717 6.215 0 0 721 {?} 8.692 0.029 0.015 {?} 124.580 0.152 0.072 {?} 0.499 0.789 0.325 1215.645 5.298 0 0 722 {145.H 145.H} 9.055 0.029 0.015 {145.N 145.N} 124.399 0.152 0.072 {16.HG21 16.HG22} 0.190 0.789 0.325 303.121 17.988 0 0 723 {?} 8.172 0.029 0.015 {?} 124.455 0.152 0.072 {?} 0.062 0.789 0.325 10.740 2.800 0 0 724 {?} 8.692 0.029 0.015 {?} 124.569 0.152 0.072 {?} -0.401 0.789 0.325 503.975 11.178 0 0 725 {?} 8.690 0.024 0.037 {?} 124.497 0.183 0.262 {?} -2.188 0.920 1.314 520.154 8.497 0 0 726 {?} 8.602 0.024 0.037 {?} 124.522 0.183 0.262 {?} -2.186 0.920 1.314 50.976 8.497 0 0 727 {?} 8.512 0.028 0.064 {?} 124.482 0.111 0.159 {?} -2.190 0.988 2.366 564.182 6.413 0 0 728 {?} 7.122 0.044 0.075 {?} 124.463 0.098 0.173 {?} -2.194 0.871 1.607 208.304 4.078 0 0 729 {?} 6.948 0.044 0.075 {?} 124.404 0.098 0.173 {?} -2.190 0.871 1.607 205.544 5.350 0 0 730 {47.H} 9.703 0.031 0.067 {47.N} 124.071 0.211 0.301 {47.H} 9.714 0.467 1.467 3971.900 97.358 0 0 731 {122.H} 8.583 0.031 0.067 {122.N} 124.194 0.211 0.301 {119.H} 9.573 0.467 1.467 142.416 6.054 0 0 732 {47.H} 9.704 0.031 0.067 {47.N} 124.067 0.211 0.301 {59.H} 9.318 0.467 1.467 1122.969 5.523 0 0 733 {?} 8.822 0.031 0.067 {?} 124.024 0.211 0.301 {?} 9.169 0.467 1.467 1408.620 5.523 0 0 734 {?} 9.704 0.037 0.052 {?} 124.029 0.143 0.204 {?} 9.116 0.884 2.350 499.418 14.950 0 0 735 {?} 8.580 0.037 0.052 {?} 124.171 0.143 0.204 {?} 8.928 0.884 2.350 98.170 98.707 0 0 736 {47.H} 9.701 0.037 0.052 {47.N} 124.043 0.143 0.204 {60.H} 8.841 0.884 2.350 100.527 98.707 0 0 737 {60.H 115.H} 8.822 0.037 0.052 {60.N 115.N} 124.023 0.143 0.204 {60.H 115.H} 8.823 0.884 2.350 11727.600 98.707 0 0 738 {166.H} 8.701 0.037 0.052 {166.N} 124.151 0.143 0.204 {166.H} 8.705 0.884 2.350 26839.270 98.707 0 0 739 {122.H} 8.583 0.037 0.052 {122.N} 124.173 0.143 0.204 {122.H} 8.593 0.884 2.350 7389.963 10.315 0 0 740 {?} 8.491 0.037 0.052 {?} 124.206 0.143 0.204 {?} 8.591 0.884 2.350 212.481 10.315 0 0 741 {122.H} 8.583 0.037 0.052 {122.N} 124.186 0.143 0.204 {120.H} 8.358 0.884 2.350 614.642 10.315 0 0 742 {47.H} 9.703 0.037 0.052 {47.N} 124.101 0.143 0.204 {46.H} 8.326 0.884 2.350 217.980 93.335 0 0 743 {60.H} 8.823 0.037 0.052 {60.N} 124.045 0.143 0.204 {118.H} 8.191 0.884 2.350 645.153 93.335 0 0 744 {122.H} 8.581 0.039 0.068 {122.N} 124.121 0.112 0.213 {118.H} 8.187 0.889 1.862 167.509 51.706 0 0 745 {?} 8.583 0.039 0.068 {?} 124.155 0.112 0.213 {?} 8.052 0.889 1.862 243.195 51.706 0 0 746 {115.H} 8.821 0.048 0.099 {115.N} 124.065 0.105 0.274 {114.H} 7.685 1.054 1.506 422.422 3.597 0 0 747 {47.H} 9.703 0.048 0.099 {47.N} 124.063 0.105 0.274 {46.HD21} 7.521 1.054 1.506 284.748 20.417 0 0 748 {?} 8.822 0.048 0.099 {?} 124.040 0.105 0.274 {?} 7.494 1.054 1.506 1640.896 20.417 0 0 749 {122.H} 8.583 0.048 0.099 {122.N} 124.174 0.105 0.274 {123.H} 7.374 1.054 1.506 1868.437 20.417 0 0 750 {122.H} 8.583 0.048 0.099 {122.N} 124.168 0.105 0.274 {121.H} 7.215 1.054 1.506 2504.617 6.206 0 0 751 {?} 9.699 0.022 0.058 {?} 124.123 0.205 0.295 {?} 7.096 0.917 1.309 132.038 43.372 0 0 752 {?} 8.582 0.022 0.058 {?} 124.179 0.205 0.295 {?} 6.999 0.917 1.309 179.451 43.372 0 0 753 {?} 8.580 0.022 0.058 {?} 124.151 0.205 0.295 {?} 6.855 0.917 1.309 42.896 43.372 0 0 754 {?} 7.822 0.028 0.097 {?} 124.266 0.231 0.330 {?} 6.676 0.778 2.114 218.160 10.472 0 0 755 {?} 8.820 0.034 0.047 {?} 124.001 0.111 0.183 {?} 6.594 0.692 1.034 146.651 2.480 0 0 756 {?} 8.581 0.016 0.033 {?} 124.273 0.074 0.156 {?} 6.580 0.404 0.411 19.087 3.259 0 0 757 {?} 7.830 0.017 0.017 {?} 124.280 0.086 0.090 {?} 6.456 0.491 0.513 252.752 2.702 0 0 758 {?} 8.695 0.029 0.067 {?} 124.081 0.128 0.259 {?} 6.370 0.815 2.329 20.721 15.351 0 0 759 {?} 8.821 0.029 0.067 {?} 124.075 0.128 0.259 {?} 6.175 0.815 2.329 191.785 15.351 0 0 760 {?} 9.703 0.029 0.067 {?} 124.069 0.128 0.259 {?} 6.164 0.815 2.329 2876.330 2.180 0 0 761 {?} 8.585 0.029 0.067 {?} 124.126 0.128 0.259 {?} 6.136 0.815 2.329 363.166 4.583 0 0 762 {115.H} 8.820 0.025 0.028 {115.N} 123.998 0.081 0.093 {115.HA} 5.882 0.599 0.691 1155.007 3.570 0 0 763 {?} 9.704 0.027 0.052 {?} 124.077 0.100 0.143 {?} 5.674 0.881 1.258 57.096 5.766 0 0 764 {?} 9.703 0.036 0.047 {?} 124.032 0.065 0.085 {?} 5.373 0.604 1.568 440.496 6.225 0 0 765 {?} 9.704 0.036 0.047 {?} 124.112 0.065 0.085 {?} 5.105 0.604 1.568 167.861 6.225 0 0 766 {?} 8.823 0.020 0.005 {?} 124.053 0.090 0.023 {?} 5.109 1.570 0.604 1179.776 4.685 0 0 767 {?} 8.582 0.026 0.045 {?} 124.162 0.125 0.193 {?} 5.019 0.837 1.452 137.742 2.967 0 0 768 {?} 8.822 0.031 0.068 {?} 124.028 0.157 0.224 {?} 4.982 0.895 1.806 1345.608 57.608 0 0 769 {47.H} 9.700 0.029 0.101 {47.N} 124.039 0.165 0.235 {47.HA} 4.921 0.799 1.970 292.334 5.739 0 0 770 {?} 7.832 0.023 0.041 {?} 124.152 0.103 0.189 {?} 4.891 1.133 1.878 40.840 5.579 0 0 771 {60.H} 8.823 0.022 0.043 {60.N} 124.032 0.094 0.225 {117.HA} 4.867 0.991 1.945 1223.672 11.409 0 0 772 {115.H} 8.823 0.013 0.023 {115.N} 124.055 0.070 0.109 {156.HA} 4.728 1.191 0.825 933.011 1.809 0 0 773 {?} 9.706 0.025 0.054 {?} 124.062 0.097 0.199 {?} 4.646 0.905 1.840 121.338 747.797 0 0 774 {?} 9.702 0.025 0.054 {?} 124.059 0.097 0.199 {?} 4.510 0.905 1.840 72.845 747.797 0 0 775 {?} 9.703 0.025 0.054 {?} 124.026 0.097 0.199 {?} 4.365 0.905 1.840 181.861 747.797 0 0 776 {115.H} 8.821 0.038 0.070 {115.N} 124.013 0.139 0.249 {114.HA} 4.317 0.945 1.933 1860.459 6.484 0 0 777 {122.H} 8.583 0.026 0.053 {122.N} 124.177 0.107 0.212 {122.HA} 4.335 1.040 1.830 868.246 28.258 0 0 778 {?} 9.703 0.026 0.053 {?} 124.094 0.107 0.212 {?} 4.234 1.040 1.830 248.495 28.258 0 0 779 {89.H} 7.829 0.037 0.052 {89.N} 124.310 0.130 0.283 {86.HA} 4.139 1.216 1.737 383.320 18.718 0 0 780 {?} 9.701 0.035 0.061 {?} 124.063 0.085 0.336 {?} 4.106 1.164 2.037 217.662 24.721 0 0 781 {60.H} 8.826 0.035 0.061 {60.N} 124.063 0.085 0.336 {60.HB3} 3.898 1.164 2.037 400.757 24.721 0 0 782 {122.H} 8.582 0.035 0.061 {122.N} 124.147 0.085 0.336 {119.HA} 3.774 1.164 2.037 491.889 24.721 0 0 783 {?} 8.163 0.034 0.097 {?} 124.276 0.212 0.302 {?} 3.548 0.410 2.291 90.383 42.959 0 0 784 {?} 9.704 0.026 0.079 {?} 124.043 0.173 0.271 {?} 3.321 1.033 1.872 134.310 10.506 0 0 785 {?} 9.699 0.027 0.056 {?} 124.072 0.088 0.263 {?} 3.166 0.824 1.632 180.397 9.903 0 0 786 {122.H} 8.582 0.031 0.082 {122.N} 124.177 0.160 0.229 {118.HB3} 3.168 0.912 1.302 671.381 1026.234 0 0 787 {115.H} 8.821 0.031 0.082 {115.N} 124.020 0.160 0.229 {115.HB2} 2.998 0.912 1.302 2200.781 1026.234 0 0 788 {122.H} 8.585 0.031 0.082 {122.N} 124.221 0.160 0.229 {123.HB2} 2.954 0.912 1.302 222.786 1026.234 0 0 789 {?} 9.701 0.031 0.082 {?} 124.060 0.160 0.229 {?} 2.580 0.912 1.302 967.422 1026.234 0 0 790 {?} 8.583 0.031 0.082 {?} 124.159 0.160 0.229 {?} 2.490 0.912 1.302 493.272 1026.234 0 0 791 {?} 9.699 0.031 0.082 {?} 124.104 0.160 0.229 {?} 2.401 0.912 1.302 482.707 1026.234 0 0 792 {?} 8.583 0.028 0.066 {?} 124.182 0.126 0.181 {?} 2.323 0.811 1.711 1540.043 628.373 0 0 793 {115.H} 8.824 0.028 0.066 {115.N} 124.022 0.126 0.181 {114.HD3} 2.263 0.811 1.711 835.915 628.373 0 0 794 {47.H} 9.703 0.028 0.066 {47.N} 124.075 0.126 0.181 {46.HB3} 2.122 0.811 1.711 1448.869 628.373 0 0 795 {?} 8.824 0.028 0.066 {?} 124.043 0.126 0.181 {?} 2.124 0.811 1.711 1982.560 628.373 0 0 796 {?} 8.582 0.028 0.066 {?} 124.169 0.126 0.181 {?} 2.041 0.811 1.711 1016.655 628.373 0 0 797 {60.H} 8.825 0.028 0.066 {60.N} 124.007 0.126 0.181 {59.HB} 1.938 0.811 1.711 1047.090 628.373 0 0 798 {?} 9.702 0.028 0.066 {?} 124.070 0.126 0.181 {?} 1.917 0.811 1.711 1765.487 628.373 0 0 799 {?} 8.583 0.028 0.066 {?} 124.197 0.126 0.181 {?} 1.822 0.811 1.711 657.292 628.373 0 0 800 {47.H} 9.703 0.028 0.066 {47.N} 124.068 0.126 0.181 {47.HB3} 1.771 0.811 1.711 3065.905 628.373 0 0 801 {?} 8.823 0.028 0.066 {?} 124.058 0.126 0.181 {?} 1.788 0.811 1.711 1384.384 628.373 0 0 802 {?} 8.826 0.028 0.066 {?} 124.071 0.126 0.181 {?} 1.571 0.811 1.711 1490.157 628.373 0 0 803 {47.H} 9.703 0.028 0.066 {47.N} 124.085 0.126 0.181 {47.HB2} 1.487 0.811 1.711 1255.308 628.373 0 0 804 {122.H} 8.583 0.031 0.082 {122.N} 124.169 0.151 0.275 {122.HB2} 1.462 0.836 2.046 5907.928 631.385 0 0 805 {115.H} 8.823 0.031 0.082 {115.N} 124.032 0.151 0.275 {114.HG2} 1.198 0.836 2.046 5022.604 631.385 0 0 806 {?} 9.700 0.031 0.082 {?} 124.073 0.151 0.275 {?} 1.168 0.836 2.046 626.995 631.385 0 0 807 {?} 8.701 0.026 0.067 {?} 124.298 0.157 0.291 {?} 1.178 1.038 1.846 173.333 90.452 0 0 808 {122.H} 8.582 0.026 0.067 {122.N} 124.175 0.157 0.291 {117.HB3} 1.007 1.038 1.846 928.969 90.452 0 0 809 {47.H 47.H} 9.703 0.026 0.058 {47.N 47.N} 124.075 0.192 0.274 {47.HD11 47.HD13} 0.875 0.892 1.738 4741.154 451.385 0 0 810 {?} 8.823 0.026 0.058 {?} 124.025 0.192 0.274 {?} 0.873 0.892 1.738 6412.560 451.385 0 0 811 {?} 8.583 0.026 0.058 {?} 124.171 0.192 0.274 {?} 0.872 0.892 1.738 6254.537 451.385 0 0 812 {60.H} 8.824 0.026 0.038 {60.N} 124.043 0.044 0.148 {59.HG21} 0.791 0.789 1.123 6441.640 26.438 0 0 813 {?} 9.703 0.024 0.033 {?} 124.146 0.115 0.169 {?} 0.601 1.126 1.655 277.314 381.161 0 0 814 {?} 8.822 0.024 0.033 {?} 124.013 0.115 0.169 {?} 0.534 1.126 1.655 1494.588 381.161 0 0 815 {?} 8.172 0.024 0.033 {?} 124.285 0.115 0.169 {?} 0.520 1.126 1.655 62.612 381.161 0 0 816 {?} 9.699 0.029 0.047 {?} 124.086 0.151 0.223 {?} 0.436 0.895 1.524 224.627 38.947 0 0 817 {?} 7.374 0.029 0.047 {?} 124.119 0.151 0.223 {?} -2.185 0.895 1.524 120.164 38.947 0 0 818 {?} 7.211 0.035 0.062 {?} 124.163 0.117 0.219 {?} -2.193 1.047 1.713 80.221 63.876 0 0 819 {?} 8.460 0.025 0.056 {?} 123.968 0.120 0.203 {?} 8.492 0.797 1.631 31.884 10.932 0 0 820 {?} 8.820 0.026 0.049 {?} 123.975 0.122 0.191 {?} 8.421 1.054 1.743 383.584 6.163 0 0 821 {?} 8.233 0.026 0.039 {?} 123.904 0.153 0.204 {?} 8.242 0.799 1.137 1961.180 63.860 0 0 822 {?} 7.723 0.026 0.039 {?} 123.980 0.153 0.204 {?} 7.720 0.799 1.137 808.990 63.860 0 0 823 {?} 8.391 0.029 0.071 {?} 123.700 0.098 0.237 {?} 7.514 0.914 1.933 132.820 3.810 0 0 824 {?} 8.821 0.024 0.034 {?} 123.990 0.106 0.103 {?} 7.107 1.184 1.148 2433.122 79.078 0 0 825 {?} 8.388 0.024 0.034 {?} 123.815 0.106 0.103 {?} 6.875 1.184 1.148 10.812 13.137 0 0 826 {?} 8.825 0.024 0.034 {?} 123.969 0.106 0.103 {?} 6.836 1.184 1.148 530.107 3.267 0 0 827 {?} 9.278 0.027 0.070 {?} 123.800 0.090 0.236 {?} 6.701 0.822 1.908 61.686 3.325 0 0 828 {?} 8.817 0.027 0.073 {?} 123.973 0.142 0.238 {?} 5.681 0.875 2.044 21.768 7.022 0 0 829 {?} 8.583 0.037 0.039 {?} 123.984 0.121 0.134 {?} 4.835 0.977 1.045 87.263 1.887 0 0 830 {?} 9.288 0.030 0.061 {?} 123.776 0.110 0.157 {?} 4.733 1.036 1.971 408.472 3.781 0 0 831 {?} 8.391 0.034 0.041 {?} 123.711 0.126 0.181 {?} 3.950 0.949 1.115 20.108 28.492 0 0 832 {47.H} 9.706 0.025 0.050 {47.N} 123.966 0.163 0.294 {60.HB3} 3.901 0.847 1.509 33.928 12.746 0 0 833 {?} 9.289 0.022 0.044 {?} 123.734 0.120 0.172 {?} 3.254 1.119 1.627 217.075 3.824 0 0 834 {?} 8.391 0.022 0.044 {?} 123.708 0.120 0.172 {?} 3.005 1.119 1.627 439.239 3.525 0 0 835 {?} 8.702 0.031 0.058 {?} 123.943 0.133 0.235 {?} 2.983 1.014 1.939 30.098 24.233 0 0 836 {115.H} 8.821 0.026 0.037 {115.N} 123.992 0.176 0.241 {115.HB3} 2.843 0.905 1.193 1351.182 2.231 0 0 837 {?} 8.705 0.013 0.028 {?} 123.869 0.079 0.130 {?} 2.705 0.964 1.967 39.381 2.600 0 0 838 {115.H} 8.824 0.026 0.049 {115.N} 123.944 0.153 0.235 {114.HD2} 2.661 0.827 1.714 172.198 2.558 0 0 839 {?} 8.695 0.034 0.050 {?} 123.941 0.093 0.293 {?} 2.528 0.939 1.341 35.966 24.547 0 0 840 {166.H} 8.704 0.027 0.063 {166.N} 123.889 0.128 0.236 {165.HB2} 1.985 0.852 1.948 7372.795 29.547 0 0 841 {166.H 166.H} 8.704 0.028 0.067 {166.N 166.N} 123.896 0.150 0.214 {165.HB3 165.HG2} 1.641 0.810 2.226 839.756 5.760 0 0 842 {?} 8.704 0.031 0.083 {?} 123.865 0.151 0.259 {?} 0.600 0.991 1.937 1756.078 6.151 0 0 843 {115.H} 8.819 0.037 0.052 {115.N} 123.956 0.172 0.266 {105.HD12} 0.239 1.303 2.080 198.422 52.132 0 0 844 {58.H} 9.285 0.032 0.082 {58.N} 123.628 0.101 0.144 {58.H} 9.284 0.880 2.003 4005.312 6.118 0 0 845 {162.H} 8.326 0.028 0.065 {162.N} 123.499 0.211 0.301 {161.H} 9.252 1.013 1.764 1699.492 3.022 0 0 846 {157.H} 8.387 0.043 0.083 {157.N} 123.668 0.133 0.190 {116.H} 9.203 1.048 2.084 61.948 2.951 0 0 847 {2.H} 8.901 0.020 0.040 {2.N} 123.556 0.192 0.274 {3.H} 9.089 1.093 1.029 360.972 9.220 0 0 848 {157.H} 8.389 0.016 0.046 {157.N} 123.625 0.166 0.243 {158.H} 9.025 1.155 1.700 459.176 1.632 0 0 849 {58.H} 9.286 0.026 0.025 {58.N} 123.598 0.126 0.260 {57.H} 8.992 0.972 0.931 556.084 14.801 0 0 850 {157.H} 8.335 0.029 0.055 {157.N} 123.582 0.149 0.261 {158.H} 9.005 0.864 1.755 59.787 3.892 0 0 851 {2.H} 8.902 0.027 0.049 {2.N} 123.567 0.126 0.181 {2.H} 8.901 0.954 1.363 8334.489 12.935 0 0 852 {58.H} 9.285 0.029 0.086 {58.N} 123.591 0.093 0.291 {115.H} 8.817 0.981 2.007 362.738 16.123 0 0 853 {157.H} 8.389 0.029 0.086 {157.N} 123.656 0.093 0.291 {117.H} 8.801 0.981 2.007 1136.152 14.140 0 0 854 {?} 9.287 0.016 0.041 {?} 123.624 0.104 0.157 {?} 8.676 1.117 1.411 5.481 4.466 0 0 855 {?} 8.901 0.034 0.063 {?} 123.493 0.144 0.207 {?} 8.684 1.000 1.582 203.949 8.208 0 0 856 {162.H} 8.328 0.021 0.040 {162.N} 123.538 0.122 0.286 {160.H} 8.681 1.239 1.892 222.294 10.294 0 0 857 {?} 8.902 0.026 0.057 {?} 123.507 0.165 0.236 {?} 8.529 0.860 1.843 147.168 12.436 0 0 858 {157.H} 8.390 0.015 0.030 {157.N} 123.648 0.089 0.183 {157.H} 8.403 0.368 0.628 7456.264 2.039 0 0 859 {157.H 162.H} 8.327 0.022 0.039 {157.N 162.N} 123.496 0.067 0.107 {157.H 162.H} 8.341 0.268 0.948 19152.443 6.286 0 0 860 {?} 8.904 0.047 0.067 {?} 123.636 0.193 0.276 {?} 8.187 0.946 1.351 44.419 15.812 0 0 861 {?} 8.901 0.025 0.273 {?} 123.571 0.105 0.301 {?} 8.005 1.132 1.618 108.901 1.724 0 0 862 {162.H} 8.328 0.032 0.127 {162.N} 123.499 0.077 0.241 {164.H} 7.925 1.128 1.967 870.221 11.698 0 0 863 {2.H} 8.905 0.032 0.082 {2.N} 123.596 0.220 0.315 {107.H} 7.823 1.263 1.805 184.490 3.257 0 0 864 {58.H} 9.287 0.034 0.072 {58.N} 123.630 0.208 0.297 {114.H} 7.687 1.139 2.109 409.575 5.238 0 0 865 {162.H} 8.326 0.046 0.097 {162.N} 123.495 0.102 0.145 {163.H} 7.669 1.013 1.447 3922.575 2.395 0 0 866 {?} 8.904 0.025 0.047 {?} 123.615 0.078 0.234 {?} 7.570 1.162 1.659 5.394 3.554 0 0 867 {?} 9.284 0.025 0.047 {?} 123.623 0.078 0.234 {?} 7.498 1.162 1.659 124.036 1.575 0 0 868 {?} 8.326 0.025 0.047 {?} 123.496 0.078 0.234 {?} 7.512 1.162 1.659 1956.729 2.356 0 0 869 {?} 8.901 0.025 0.047 {?} 123.576 0.078 0.234 {?} 7.449 1.162 1.659 177.429 3.698 0 0 870 {2.H} 8.902 0.017 0.025 {2.N} 123.571 0.075 0.115 {107.HD22} 7.279 0.421 0.645 1078.744 2.963 0 0 871 {?} 9.282 0.026 0.066 {?} 123.626 0.090 0.211 {?} 7.265 0.832 1.873 411.911 18.535 0 0 872 {2.H} 8.904 0.026 0.066 {2.N} 123.549 0.090 0.211 {107.HD21} 7.174 0.832 1.873 682.754 18.535 0 0 873 {58.H} 9.284 0.031 0.082 {58.N} 123.623 0.160 0.228 {115.HD1} 7.120 0.959 2.087 1214.859 4.403 0 0 874 {?} 8.388 0.031 0.097 {?} 123.660 0.071 0.270 {?} 7.109 0.937 2.381 864.931 3.137 0 0 875 {?} 8.902 0.041 0.075 {?} 123.620 0.119 0.239 {?} 7.022 1.201 2.097 112.671 4.515 0 0 876 {?} 8.326 0.037 0.052 {?} 123.521 0.219 0.313 {?} 7.007 0.931 1.955 570.821 3.522 0 0 877 {?} 8.902 0.019 0.028 {?} 123.589 0.050 0.078 {?} 6.896 0.938 1.786 7.787 3.727 0 0 878 {?} 8.327 0.031 0.277 {?} 123.526 0.128 0.183 {?} 6.817 1.029 1.471 203.878 5.370 0 0 879 {?} 8.328 0.025 0.043 {?} 123.566 0.126 0.203 {?} 6.676 0.828 1.451 64.905 7.285 0 0 880 {?} 8.903 0.033 0.090 {?} 123.599 0.103 0.292 {?} 6.514 1.049 1.947 45.804 2.272 0 0 881 {?} 8.324 0.033 0.090 {?} 123.405 0.103 0.292 {?} 6.270 1.049 1.947 143.216 7.242 0 0 882 {?} 8.903 0.033 0.090 {?} 123.623 0.103 0.292 {?} 6.249 1.049 1.947 44.178 7.242 0 0 883 {?} 8.324 0.033 0.090 {?} 123.520 0.103 0.292 {?} 5.968 1.049 1.947 162.218 1.667 0 0 884 {58.H} 9.284 0.026 0.069 {58.N} 123.655 0.154 0.239 {115.HA} 5.888 0.723 1.473 246.287 10.271 0 0 885 {157.H} 8.395 0.030 0.038 {157.N} 123.683 0.126 0.181 {115.HA} 5.889 0.805 1.019 65.770 57.394 0 0 886 {?} 8.908 0.030 0.038 {?} 123.641 0.126 0.181 {?} 5.794 0.805 1.019 63.651 57.394 0 0 887 {?} 8.324 0.036 0.058 {?} 123.554 0.089 0.136 {?} 5.793 0.869 1.286 339.125 37.430 0 0 888 {?} 9.288 0.036 0.058 {?} 123.665 0.089 0.136 {?} 5.668 0.869 1.286 215.038 37.430 0 0 889 {?} 8.901 0.036 0.058 {?} 123.541 0.089 0.136 {?} 5.613 0.869 1.286 96.947 37.430 0 0 890 {?} 8.329 0.032 0.122 {?} 123.524 0.134 0.254 {?} 5.528 1.181 2.122 70.024 5.270 0 0 891 {?} 8.902 0.037 0.049 {?} 123.552 0.178 0.217 {?} 5.457 1.087 1.366 176.618 52.074 0 0 892 {?} 8.900 0.037 0.049 {?} 123.526 0.178 0.217 {?} 5.352 1.087 1.366 167.913 52.074 0 0 893 {?} 8.328 0.027 0.017 {?} 123.548 0.098 0.062 {?} 5.342 0.976 0.614 240.998 4.567 0 0 894 {?} 9.284 0.030 0.068 {?} 123.637 0.079 0.249 {?} 5.238 1.110 1.976 643.959 24.794 0 0 895 {?} 8.902 0.030 0.068 {?} 123.494 0.079 0.249 {?} 5.220 1.110 1.976 120.404 24.794 0 0 896 {?} 9.284 0.026 0.048 {?} 123.578 0.142 0.285 {?} 5.109 1.058 1.851 533.113 5.416 0 0 897 {?} 8.903 0.033 0.082 {?} 123.593 0.115 0.201 {?} 5.079 0.968 1.765 291.764 22.005 0 0 898 {?} 8.901 0.032 0.034 {?} 123.546 0.157 0.164 {?} 4.951 1.358 1.404 298.361 5.954 0 0 899 {?} 9.285 0.044 0.070 {?} 123.612 0.157 0.206 {?} 4.866 1.129 1.734 309.068 6.125 0 0 900 {162.H} 8.326 0.031 0.064 {162.N} 123.505 0.126 0.210 {160.HA} 4.882 1.148 1.968 831.320 4.165 0 0 901 {2.H} 8.903 0.037 0.102 {2.N} 123.634 0.090 0.220 {107.HA} 4.792 0.963 1.765 216.589 4.726 0 0 902 {157.H} 8.380 0.027 0.035 {157.N} 123.619 0.041 0.118 {116.HA} 4.751 0.748 0.982 22.374 8.194 0 0 903 {157.H} 8.329 0.028 0.063 {157.N} 123.482 0.089 0.295 {116.HA} 4.770 0.789 1.856 354.019 6.695 0 0 904 {?} 8.903 0.033 0.065 {?} 123.584 0.049 0.231 {?} 4.673 1.112 1.588 723.454 3.233 0 0 905 {157.H} 8.326 0.031 0.045 {157.N} 123.484 0.107 0.194 {157.HA} 4.650 1.027 1.537 458.121 4.716 0 0 906 {?} 8.902 0.037 0.125 {?} 123.563 0.091 0.181 {?} 4.554 1.094 1.562 1238.830 17.029 0 0 907 {?} 8.327 0.028 0.057 {?} 123.495 0.126 0.181 {?} 4.516 0.849 1.850 623.398 10.879 0 0 908 {?} 8.902 0.031 0.062 {?} 123.546 0.199 0.284 {?} 4.436 0.916 1.993 283.340 20.838 0 0 909 {?} 9.288 0.039 0.093 {?} 123.594 0.192 0.274 {?} 4.375 1.092 1.811 336.074 4.544 0 0 910 {162.H} 8.327 0.027 0.050 {162.N} 123.462 0.114 0.178 {161.HA} 4.170 1.259 1.943 415.243 63.316 0 0 911 {?} 9.288 0.027 0.029 {?} 123.635 0.102 0.112 {?} 3.958 1.113 1.222 93.352 7.365 0 0 912 {?} 9.285 0.027 0.029 {?} 123.599 0.102 0.112 {?} 3.832 1.113 1.222 356.343 7.365 0 0 913 {?} 9.286 0.033 0.085 {?} 123.565 0.154 0.308 {?} 3.361 0.927 1.629 121.715 3.167 0 0 914 {162.H} 8.326 0.028 0.054 {162.N} 123.499 0.144 0.252 {161.HB2} 3.327 0.888 1.942 869.949 11.660 0 0 915 {58.H} 9.285 0.027 0.054 {58.N} 123.620 0.103 0.202 {57.HB2} 2.983 0.772 1.461 1334.422 65.967 0 0 916 {162.H} 8.325 0.027 0.054 {162.N} 123.525 0.103 0.202 {160.HB2} 2.977 0.772 1.461 805.684 65.967 0 0 917 {?} 8.902 0.029 0.056 {?} 123.578 0.096 0.218 {?} 2.916 0.930 1.771 831.145 9.382 0 0 918 {162.H} 8.326 0.026 0.037 {162.N} 123.501 0.102 0.187 {161.HB3} 2.861 0.933 1.746 1090.359 1985.915 0 0 919 {157.H} 8.386 0.026 0.037 {157.N} 123.595 0.102 0.187 {115.HB3} 2.847 0.933 1.746 521.811 1985.915 0 0 920 {157.H} 8.390 0.026 0.037 {157.N} 123.638 0.102 0.187 {157.HG2} 2.689 0.933 1.746 597.402 1985.915 0 0 921 {?} 9.285 0.034 0.080 {?} 123.626 0.146 0.209 {?} 2.617 1.138 2.102 664.905 13.262 0 0 922 {162.H} 8.324 0.034 0.080 {162.N} 123.500 0.146 0.209 {164.HG2} 2.542 1.138 2.102 224.443 13.636 0 0 923 {?} 8.901 0.034 0.080 {?} 123.567 0.146 0.209 {?} 2.420 1.138 2.102 1003.042 2634.902 0 0 924 {157.H} 8.328 0.034 0.080 {157.N} 123.544 0.146 0.209 {157.HB2} 2.328 1.138 2.102 1295.259 2634.902 0 0 925 {?} 8.390 0.034 0.080 {?} 123.646 0.146 0.209 {?} 2.277 1.138 2.102 5000.734 2634.902 0 0 926 {?} 8.905 0.036 0.049 {?} 123.597 0.208 0.279 {?} 2.175 1.150 1.729 84.938 1.585 0 0 927 {157.H} 8.390 0.032 0.038 {157.N} 123.658 0.087 0.219 {156.HB2} 2.139 1.147 1.405 4240.359 19.465 0 0 928 {58.H} 9.285 0.032 0.038 {58.N} 123.612 0.087 0.219 {58.HB2} 2.102 1.147 1.405 1637.459 19.465 0 0 929 {?} 8.326 0.032 0.038 {?} 123.509 0.087 0.219 {?} 2.077 1.147 1.405 2854.427 19.465 0 0 930 {2.H} 8.902 0.028 0.050 {2.N} 123.558 0.145 0.216 {1.HB2} 1.952 1.031 1.754 2552.609 3.970 0 0 931 {?} 8.389 0.047 0.060 {?} 123.636 0.088 0.146 {?} 1.953 1.109 1.584 872.082 19.985 0 0 932 {?} 8.325 0.028 0.029 {?} 123.515 0.067 0.148 {?} 1.830 1.045 1.058 1141.526 35.553 0 0 933 {58.H} 9.284 0.025 0.020 {58.N} 123.611 0.089 0.148 {58.HG} 1.806 0.961 0.724 909.837 21.576 0 0 934 {157.H} 8.391 0.023 0.019 {157.N} 123.655 0.070 0.126 {156.HB3} 1.759 1.068 0.892 1426.239 44.822 0 0 935 {2.H} 8.902 0.023 0.019 {2.N} 123.563 0.070 0.126 {2.HB2} 1.646 1.068 0.892 3216.909 44.822 0 0 936 {58.H} 9.288 0.032 0.073 {58.N} 123.624 0.091 0.129 {59.HG12} 1.588 0.866 2.080 393.712 9.627 0 0 937 {162.H} 8.327 0.026 0.071 {162.N} 123.498 0.183 0.334 {162.HB3} 1.583 1.063 1.932 6453.163 747.807 0 0 938 {58.H} 9.284 0.026 0.071 {58.N} 123.629 0.183 0.334 {58.HB3} 1.413 1.063 1.932 1233.126 747.807 0 0 939 {2.H 2.H} 8.902 0.026 0.071 {2.N 2.N} 123.563 0.183 0.334 {2.HG2 2.HG3} 1.412 1.063 1.932 3238.083 747.807 0 0 940 {?} 8.327 0.026 0.071 {?} 123.499 0.183 0.334 {?} 1.224 1.063 1.932 2007.212 747.807 0 0 941 {?} 9.286 0.026 0.071 {?} 123.637 0.183 0.334 {?} 1.201 1.063 1.932 1534.954 747.807 0 0 942 {157.H} 8.389 0.026 0.071 {157.N} 123.658 0.183 0.334 {116.HG11} 1.195 1.063 1.932 961.836 747.807 0 0 943 {?} 8.327 0.027 0.108 {?} 123.525 0.144 0.264 {?} 0.929 0.833 2.121 816.841 6.163 0 0 944 {?} 8.389 0.016 0.033 {?} 123.657 0.211 0.301 {?} 0.903 0.862 0.859 3004.794 11.018 0 0 945 {58.H} 9.285 0.016 0.033 {58.N} 123.619 0.211 0.301 {58.HD12} 0.828 0.862 0.859 5389.236 44.463 0 0 946 {2.H} 8.903 0.028 0.058 {2.N} 123.595 0.110 0.158 {106.HG21} 0.699 0.878 2.001 429.748 100.758 0 0 947 {?} 9.285 0.028 0.058 {?} 123.605 0.110 0.158 {?} 0.541 0.878 2.001 374.330 100.758 0 0 948 {2.H 2.H} 8.902 0.032 0.108 {2.N 2.N} 123.511 0.158 0.261 {132.HD21 132.HD23} 0.547 0.995 2.107 122.484 194.008 0 0 949 {?} 8.390 0.034 0.090 {?} 123.683 0.057 0.178 {?} 0.512 1.139 2.076 412.178 231.435 0 0 950 {?} 8.903 0.034 0.090 {?} 123.554 0.057 0.178 {?} 0.300 1.139 2.076 104.504 231.435 0 0 951 {?} 8.325 0.034 0.090 {?} 123.493 0.057 0.178 {?} -0.401 1.139 2.076 124.880 231.435 0 0 952 {?} 9.887 0.032 0.136 {?} 123.108 0.161 0.229 {?} 10.329 0.969 1.918 2449.750 50.957 0 0 953 {113.H} 9.889 0.030 0.071 {113.N} 123.120 0.134 0.191 {113.H} 9.898 1.151 2.081 6477.556 26.144 0 0 954 {142.H} 9.194 0.043 0.099 {142.N} 123.204 0.157 0.224 {141.H} 9.349 1.124 2.224 169.502 3.031 0 0 955 {142.H} 9.193 0.036 0.049 {142.N} 123.195 0.076 0.110 {142.H} 9.190 1.117 1.595 3317.084 3.074 0 0 956 {142.H} 9.193 0.030 0.103 {142.N} 123.222 0.133 0.190 {144.H} 8.952 0.954 1.908 585.833 433.419 0 0 957 {?} 9.892 0.030 0.103 {?} 123.073 0.133 0.190 {?} 8.829 0.954 1.908 95.297 433.419 0 0 958 {142.H} 9.192 0.030 0.103 {142.N} 123.193 0.133 0.190 {143.H} 8.817 0.954 1.908 1206.224 433.419 0 0 959 {?} 9.194 0.030 0.054 {?} 123.207 0.182 0.261 {?} 8.548 0.789 1.516 353.867 31.896 0 0 960 {113.H} 9.887 0.025 0.056 {113.N} 123.143 0.083 0.318 {55.HE22} 8.209 1.175 1.913 15.924 4.407 0 0 961 {20.H} 8.751 0.025 0.030 {20.N} 123.289 0.080 0.240 {19.H} 8.136 1.113 1.311 29.892 304.212 0 0 962 {142.H} 9.192 0.025 0.030 {142.N} 123.189 0.080 0.240 {142.HE22} 8.054 1.113 1.311 620.118 304.212 0 0 963 {?} 9.887 0.025 0.030 {?} 123.132 0.080 0.240 {?} 7.895 1.113 1.311 606.586 304.212 0 0 964 {113.H} 9.887 0.018 0.055 {113.N} 123.096 0.087 0.193 {114.H} 7.689 0.543 1.010 464.871 5.787 0 0 965 {?} 9.888 0.018 0.055 {?} 123.128 0.087 0.193 {?} 7.550 0.543 1.010 75.841 5.787 0 0 966 {142.H} 9.194 0.018 0.055 {142.N} 123.188 0.087 0.193 {124.H} 7.447 0.543 1.010 116.984 5.787 0 0 967 {?} 9.888 0.018 0.055 {?} 123.123 0.087 0.193 {?} 7.321 0.543 1.010 91.024 5.787 0 0 968 {?} 9.882 0.018 0.055 {?} 123.207 0.087 0.193 {?} 7.161 0.543 1.010 423.786 5.787 0 0 969 {?} 8.327 0.030 0.070 {?} 123.353 0.126 0.181 {?} 6.467 0.789 1.914 50.648 37.706 0 0 970 {142.H} 9.191 0.029 0.092 {142.N} 123.182 0.059 0.274 {142.HE21} 6.140 0.797 2.224 352.170 4.505 0 0 971 {?} 9.883 0.031 0.146 {?} 123.266 0.114 0.357 {?} 5.922 0.959 1.985 9.732 2.510 0 0 972 {?} 9.191 0.026 0.085 {?} 123.188 0.196 0.281 {?} 5.429 0.820 2.130 641.711 2.592 0 0 973 {?} 9.191 0.026 0.085 {?} 123.187 0.196 0.281 {?} 5.202 0.820 2.130 414.225 20.874 0 0 974 {?} 9.194 0.037 0.187 {?} 123.227 0.142 0.203 {?} 5.074 0.851 2.315 454.446 3.476 0 0 975 {?} 9.888 0.028 0.112 {?} 123.074 0.126 0.181 {?} 4.979 1.061 2.183 147.991 8.899 0 0 976 {?} 9.193 0.047 0.067 {?} 123.198 0.093 0.301 {?} 4.931 1.048 1.497 361.729 3.403 0 0 977 {?} 9.191 0.024 0.127 {?} 123.187 0.110 0.158 {?} 4.729 1.138 1.626 529.531 22.413 0 0 978 {?} 9.888 0.024 0.127 {?} 123.141 0.110 0.158 {?} 4.710 1.138 1.626 288.946 22.413 0 0 979 {142.H} 9.192 0.024 0.127 {142.N} 123.203 0.110 0.158 {141.HB2} 4.381 1.138 1.626 419.455 22.413 0 0 980 {113.H} 9.887 0.024 0.127 {113.N} 123.120 0.110 0.158 {112.HA} 4.179 1.138 1.626 1089.420 22.413 0 0 981 {142.H} 9.192 0.024 0.127 {142.N} 123.196 0.110 0.158 {142.HA} 4.120 1.138 1.626 397.649 22.413 0 0 982 {20.H} 8.752 0.030 0.083 {20.N} 123.179 0.212 0.301 {20.HB} 3.847 0.815 1.927 446.524 5.958 0 0 983 {113.H} 9.889 0.030 0.083 {113.N} 123.141 0.212 0.301 {113.HA} 3.835 0.815 1.927 636.263 8.232 0 0 984 {113.H} 9.887 0.030 0.083 {113.N} 123.102 0.212 0.301 {112.HD2} 3.178 0.815 1.927 218.974 1.709 0 0 985 {?} 9.885 0.027 0.041 {?} 123.069 0.077 0.124 {?} 2.828 0.592 0.947 36.662 1.909 0 0 986 {?} 9.193 0.032 0.044 {?} 123.179 0.099 0.149 {?} 2.808 0.852 1.296 1668.253 7.026 0 0 987 {142.H} 9.194 0.029 0.171 {142.N} 123.190 0.111 0.187 {142.HB3} 2.556 0.810 2.184 1110.960 3.440 0 0 988 {?} 9.885 0.029 0.171 {?} 123.100 0.111 0.187 {?} 2.463 0.810 2.184 319.860 4.869 0 0 989 {142.H} 9.192 0.029 0.171 {142.N} 123.191 0.111 0.187 {142.HG2} 2.282 0.810 2.184 1305.946 2.767 0 0 990 {142.H} 9.192 0.029 0.171 {142.N} 123.196 0.111 0.187 {142.HB2} 2.113 0.810 2.184 1838.847 5.208 0 0 991 {?} 9.888 0.029 0.171 {?} 123.119 0.111 0.187 {?} 2.055 0.810 2.184 3591.169 6.496 0 0 992 {20.H} 8.751 0.029 0.171 {20.N} 123.173 0.111 0.187 {19.HB3} 1.786 0.810 2.184 860.066 3.431 0 0 993 {?} 9.887 0.031 0.082 {?} 123.128 0.119 0.170 {?} 1.693 0.946 2.112 2242.733 2.554 0 0 994 {142.H} 9.188 0.024 0.154 {142.N} 123.256 0.076 0.215 {126.HG3} 1.706 1.221 1.744 15.518 12.278 0 0 995 {20.H} 8.757 0.016 0.046 {20.N} 123.186 0.122 0.174 {19.HG3} 1.478 0.927 2.087 146.218 4.731 0 0 996 {?} 9.192 0.016 0.046 {?} 123.189 0.122 0.174 {?} 1.456 0.927 2.087 773.368 2.398 0 0 997 {20.H} 8.752 0.016 0.046 {20.N} 123.246 0.122 0.174 {19.HG2} 1.330 0.927 2.087 288.347 9.879 0 0 998 {?} 8.746 0.031 0.076 {?} 123.167 0.084 0.215 {?} 1.187 1.120 2.119 426.528 16.435 0 0 999 {?} 9.887 0.029 0.094 {?} 123.115 0.095 0.198 {?} 1.133 0.997 2.005 1455.203 4.199 0 0 1000 {?} 9.889 0.029 0.072 {?} 123.103 0.085 0.122 {?} 0.977 0.857 2.011 583.333 30.625 0 0 1001 {?} 9.190 0.024 0.068 {?} 123.183 0.109 0.241 {?} 0.952 1.093 2.092 475.512 23.563 0 0 1002 {?} 9.888 0.034 0.093 {?} 123.119 0.108 0.154 {?} 0.810 1.000 1.879 4535.318 20.602 0 0 1003 {?} 9.194 0.038 0.038 {?} 123.192 0.070 0.070 {?} 0.793 1.315 1.319 600.990 2.443 0 0 1004 {?} 8.278 0.025 0.026 {?} 122.907 0.098 0.104 {?} 9.486 1.209 1.278 438.758 1.899 0 0 1005 {55.H} 8.278 0.029 0.070 {55.N} 122.897 0.122 0.216 {51.H} 9.115 1.151 1.917 624.763 22.285 0 0 1006 {7.H} 7.992 0.027 0.021 {7.N} 122.793 0.099 0.074 {3.H} 9.078 1.058 0.792 207.812 4.096 0 0 1007 {10.H} 8.020 0.037 0.052 {10.N} 122.872 0.141 0.278 {11.H} 8.849 1.402 2.289 1588.263 2.612 0 0 1008 {16.H 20.H} 8.719 0.030 0.069 {16.N 20.N} 122.827 0.118 0.218 {16.H 20.H} 8.725 1.128 1.932 11746.755 2.661 0 0 1009 {16.H} 8.719 0.029 0.053 {16.N} 122.827 0.149 0.214 {17.H} 8.375 1.137 2.012 644.260 9.733 0 0 1010 {55.H} 8.279 0.028 0.148 {55.N} 122.897 0.092 0.239 {55.H} 8.284 1.200 1.714 17646.186 2.409 0 0 1011 {55.H} 8.279 0.028 0.035 {55.N} 122.895 0.106 0.152 {54.H} 8.161 0.409 1.078 4420.575 6.500 0 0 1012 {16.H} 8.719 0.024 0.021 {16.N} 122.843 0.100 0.085 {13.H} 8.049 0.959 0.810 141.833 1.675 0 0 1013 {7.H 10.H} 8.018 0.029 0.042 {7.N 10.N} 122.847 0.083 0.274 {7.H 10.H} 8.013 0.983 1.439 19743.316 6.443 0 0 1014 {7.H 10.H} 7.994 0.030 0.056 {7.N 10.N} 122.832 0.126 0.181 {7.H 10.H} 7.991 1.226 1.861 22335.148 18.039 0 0 1015 {?} 7.819 0.030 0.056 {?} 122.796 0.126 0.181 {?} 7.817 1.226 1.861 1288.985 18.039 0 0 1016 {?} 7.820 0.024 0.052 {?} 122.825 0.094 0.208 {?} 7.697 0.747 1.818 92.633 2.875 0 0 1017 {16.H} 8.718 0.024 0.052 {16.N} 122.823 0.094 0.208 {15.H} 7.611 0.747 1.818 2411.200 2.875 0 0 1018 {7.H} 7.991 0.028 0.066 {7.N} 122.836 0.118 0.210 {6.H} 7.440 0.810 2.062 4047.393 6.283 0 0 1019 {16.H} 8.717 0.027 0.043 {16.N} 122.833 0.087 0.180 {14.H} 7.406 1.190 1.894 2387.941 13.449 0 0 1020 {?} 8.020 0.037 0.052 {?} 122.870 0.211 0.301 {?} 7.296 1.230 1.624 4774.535 3.632 0 0 1021 {?} 8.280 0.020 0.021 {?} 122.929 0.122 0.130 {?} 7.141 1.025 1.085 182.495 1.922 0 0 1022 {?} 8.719 0.035 0.119 {?} 122.862 0.145 0.253 {?} 7.081 1.181 2.118 130.390 1.518 0 0 1023 {?} 8.017 0.015 0.022 {?} 122.868 0.122 0.096 {?} 7.040 1.473 1.237 750.824 5.812 0 0 1024 {?} 7.992 0.015 0.022 {?} 122.853 0.122 0.096 {?} 7.041 1.473 1.237 793.544 29.520 0 0 1025 {?} 8.281 0.015 0.022 {?} 122.914 0.122 0.096 {?} 6.961 1.473 1.237 249.099 27.329 0 0 1026 {?} 9.889 0.030 0.057 {?} 123.017 0.126 0.181 {?} 6.904 0.745 1.198 121.567 21.583 0 0 1027 {?} 8.278 0.030 0.057 {?} 122.892 0.126 0.181 {?} 6.699 0.745 1.198 371.031 21.583 0 0 1028 {7.H} 8.019 0.030 0.057 {7.N} 122.858 0.126 0.181 {8.HD1} 6.706 0.745 1.198 365.497 21.583 0 0 1029 {7.H} 7.993 0.011 0.053 {7.N} 122.847 0.150 0.215 {8.HD1} 6.708 1.062 2.200 489.402 19.397 0 0 1030 {?} 8.718 0.011 0.053 {?} 122.828 0.150 0.215 {?} 6.510 1.062 2.200 864.669 19.397 0 0 1031 {?} 8.019 0.011 0.053 {?} 122.853 0.150 0.215 {?} 6.510 1.062 2.200 1409.129 19.397 0 0 1032 {?} 8.721 0.034 0.027 {?} 122.795 0.289 0.204 {?} 6.203 1.707 0.971 427.371 8.417 0 0 1033 {?} 8.020 0.036 0.070 {?} 122.884 0.134 0.284 {?} 6.214 0.745 1.588 1048.668 22.081 0 0 1034 {?} 8.015 0.025 0.057 {?} 122.850 0.117 0.227 {?} 5.852 1.145 1.945 1097.059 2.022 0 0 1035 {?} 8.717 0.025 0.057 {?} 122.855 0.117 0.227 {?} 5.820 1.145 1.945 353.892 2.022 0 0 1036 {?} 8.021 0.025 0.057 {?} 122.921 0.117 0.227 {?} 5.632 1.145 1.945 575.088 2.022 0 0 1037 {?} 7.996 0.025 0.057 {?} 122.870 0.117 0.227 {?} 5.638 1.145 1.945 386.575 6.125 0 0 1038 {?} 8.716 0.025 0.057 {?} 122.849 0.117 0.227 {?} 5.605 1.145 1.945 15.844 25.505 0 0 1039 {?} 8.023 0.034 0.097 {?} 122.834 0.234 0.301 {?} 5.493 1.193 2.065 246.481 41.870 0 0 1040 {?} 8.284 0.030 0.089 {?} 122.924 0.095 0.298 {?} 5.476 1.097 2.031 169.726 20.636 0 0 1041 {?} 7.998 0.028 0.045 {?} 122.907 0.073 0.230 {?} 5.418 0.791 1.252 477.073 1516.930 0 0 1042 {?} 8.018 0.025 0.029 {?} 122.787 0.169 0.188 {?} 5.351 1.102 1.333 351.855 11.599 0 0 1043 {20.H} 8.718 0.025 0.029 {20.N} 122.829 0.169 0.188 {138.HA} 5.282 1.102 1.333 399.561 11.599 0 0 1044 {?} 8.018 0.032 0.075 {?} 122.826 0.202 0.288 {?} 5.128 1.205 2.118 417.617 147.302 0 0 1045 {?} 8.283 0.034 0.090 {?} 122.923 0.053 0.226 {?} 5.066 1.271 1.974 159.672 57.052 0 0 1046 {?} 8.019 0.031 0.038 {?} 122.833 0.135 0.170 {?} 4.948 0.941 1.133 457.465 752.044 0 0 1047 {?} 8.283 0.031 0.038 {?} 122.976 0.135 0.170 {?} 4.819 0.941 1.133 338.076 752.044 0 0 1048 {?} 7.307 0.031 0.038 {?} 122.761 0.135 0.170 {?} 4.725 0.941 1.133 303.140 752.044 0 0 1049 {29.H} 8.720 0.035 0.026 {29.N} 122.851 0.184 0.128 {28.HA} 4.671 0.847 0.527 379.964 21.947 0 0 1050 {?} 7.992 0.022 0.023 {?} 122.843 0.165 0.170 {?} 4.682 0.757 0.783 654.039 28.739 0 0 1051 {?} 8.019 0.022 0.023 {?} 122.868 0.165 0.170 {?} 4.594 0.757 0.783 1494.484 28.739 0 0 1052 {?} 8.279 0.022 0.023 {?} 122.931 0.165 0.170 {?} 4.552 0.757 0.783 984.379 28.739 0 0 1053 {?} 8.021 0.019 0.020 {?} 122.832 0.119 0.124 {?} 4.469 1.084 1.136 791.490 13.188 0 0 1054 {55.H} 8.276 0.022 0.045 {55.N} 122.948 0.171 0.165 {55.HA} 4.249 1.226 1.187 186.451 36.335 0 0 1055 {16.H} 8.717 0.028 0.049 {16.N} 122.819 0.084 0.177 {15.HA2} 4.014 0.845 1.623 1582.257 9.382 0 0 1056 {10.H} 7.991 0.025 0.042 {10.N} 122.843 0.086 0.163 {8.HA} 4.012 1.038 1.658 471.167 48.486 0 0 1057 {16.H} 8.718 0.026 0.029 {16.N} 122.823 0.192 0.217 {16.HA} 3.760 1.112 1.324 1515.217 20.802 0 0 1058 {?} 8.019 0.024 0.023 {?} 122.869 0.073 0.156 {?} 3.757 1.034 1.013 249.230 31.446 0 0 1059 {?} 7.994 0.033 0.065 {?} 122.832 0.079 0.309 {?} 3.540 0.915 2.211 3788.872 83.260 0 0 1060 {?} 8.718 0.037 0.052 {?} 122.817 0.208 0.297 {?} 3.424 1.141 1.792 393.332 75.502 0 0 1061 {55.H} 8.279 0.015 0.023 {55.N} 122.873 0.092 0.138 {54.HA3} 3.428 1.515 0.978 1211.666 35.027 0 0 1062 {7.H} 8.019 0.031 0.071 {7.N} 122.873 0.101 0.144 {4.HA} 3.396 1.096 1.924 5751.969 223.360 0 0 1063 {16.H} 8.719 0.031 0.071 {16.N} 122.874 0.101 0.144 {14.HB2} 3.255 1.096 1.924 288.289 223.360 0 0 1064 {10.H} 8.020 0.031 0.071 {10.N} 122.864 0.101 0.144 {10.HB2} 3.147 1.096 1.924 3262.141 223.360 0 0 1065 {?} 8.277 0.026 0.035 {?} 122.910 0.044 0.169 {?} 3.012 0.671 0.937 643.314 56.035 0 0 1066 {7.H} 7.991 0.023 0.044 {7.N} 122.827 0.126 0.181 {6.HB3} 2.969 0.895 1.736 1408.899 17.268 0 0 1067 {?} 8.278 0.023 0.044 {?} 122.893 0.126 0.181 {?} 2.571 0.895 1.736 443.461 42.724 0 0 1068 {?} 7.991 0.032 0.064 {?} 122.827 0.117 0.168 {?} 2.563 0.798 1.629 933.646 2.455 0 0 1069 {?} 8.719 0.032 0.064 {?} 122.830 0.117 0.168 {?} 2.406 0.798 1.629 490.356 13.662 0 0 1070 {55.H} 8.279 0.032 0.064 {55.N} 122.893 0.117 0.168 {55.HB2} 2.412 0.798 1.629 2616.630 376.960 0 0 1071 {?} 7.990 0.028 0.060 {?} 122.779 0.050 0.157 {?} 2.231 1.103 1.848 115.314 211.286 0 0 1072 {?} 8.279 0.030 0.097 {?} 122.886 0.140 0.246 {?} 2.048 1.822 2.603 5507.651 9.065 0 0 1073 {?} 7.992 0.037 0.052 {?} 122.844 0.199 0.301 {?} 1.947 1.170 2.069 801.636 15.802 0 0 1074 {16.H} 8.718 0.025 0.058 {16.N} 122.838 0.121 0.229 {16.HB} 1.884 0.773 2.107 2788.954 12.197 0 0 1075 {?} 8.279 0.025 0.187 {?} 122.928 0.088 0.276 {?} 1.784 1.201 1.716 2581.929 5.249 0 0 1076 {?} 7.306 0.025 0.187 {?} 122.771 0.088 0.276 {?} 1.791 1.201 1.716 165.096 1.698 0 0 1077 {10.H} 8.019 0.047 0.067 {10.N} 122.871 0.129 0.185 {9.HB1} 1.597 1.265 2.094 6873.731 2.793 0 0 1078 {?} 9.890 0.047 0.067 {?} 123.023 0.129 0.185 {?} 1.414 1.265 2.094 83.297 2.793 0 0 1079 {?} 8.278 0.029 0.141 {?} 122.882 0.101 0.144 {?} 1.434 1.183 2.016 486.508 4.885 0 0 1080 {?} 7.990 0.025 0.062 {?} 122.838 0.101 0.144 {?} 1.364 0.782 2.102 1511.001 12.261 0 0 1081 {?} 8.279 0.037 0.052 {?} 122.914 0.113 0.293 {?} 1.257 0.914 1.899 1204.869 2.970 0 0 1082 {?} 8.715 0.028 0.097 {?} 122.871 0.135 0.263 {?} 1.176 1.085 2.064 328.156 5.412 0 0 1083 {?} 7.991 0.028 0.097 {?} 122.832 0.135 0.263 {?} 1.083 1.085 2.064 1204.823 3.743 0 0 1084 {16.H 16.H} 8.718 0.028 0.097 {16.N 16.N} 122.830 0.135 0.263 {16.HG11 16.HG13} 1.032 1.085 2.064 4776.976 38.846 0 0 1085 {7.H} 7.991 0.028 0.097 {7.N} 122.837 0.135 0.263 {7.HB3} 0.822 1.085 2.064 2189.399 38.846 0 0 1086 {55.H} 8.281 0.028 0.097 {55.N} 122.861 0.135 0.263 {56.HD22} 0.763 1.085 2.064 96.779 38.846 0 0 1087 {?} 7.991 0.029 0.112 {?} 122.848 0.128 0.274 {?} 0.529 1.121 2.038 1150.004 6.014 0 0 1088 {?} 7.992 0.029 0.060 {?} 122.834 0.093 0.284 {?} 0.254 0.812 1.948 4544.291 2.135 0 0 1089 {?} 8.719 0.014 0.011 {?} 122.826 0.054 0.088 {?} 0.189 0.961 0.720 1566.164 6.765 0 0 1090 {?} 7.992 0.036 0.050 {?} 122.811 0.118 0.228 {?} -0.054 1.151 1.604 297.720 2.336 0 0 1091 {108.H} 7.302 0.025 0.037 {108.N} 122.645 0.126 0.181 {110.H} 8.856 1.109 1.785 42.708 4.961 0 0 1092 {108.H} 7.306 0.037 0.052 {108.N} 122.717 0.189 0.271 {109.H} 8.246 1.063 2.000 672.050 8.781 0 0 1093 {108.H} 7.306 0.035 0.059 {108.N} 122.705 0.251 0.360 {107.H} 7.839 0.873 1.725 1886.904 2.891 0 0 1094 {108.H} 7.304 0.035 0.059 {108.N} 122.667 0.251 0.360 {106.H} 7.469 0.873 1.725 1126.588 14.999 0 0 1095 {108.H} 7.306 0.035 0.059 {108.N} 122.702 0.251 0.360 {108.H} 7.315 0.873 1.725 7150.710 14.999 0 0 1096 {?} 7.306 0.026 0.040 {?} 122.674 0.047 0.181 {?} 6.404 1.086 1.790 29.688 1.643 0 0 1097 {?} 8.712 0.026 0.040 {?} 122.735 0.047 0.181 {?} 6.069 1.086 1.790 346.253 1.643 0 0 1098 {?} 8.716 0.028 0.074 {?} 122.719 0.154 0.248 {?} 5.910 1.189 2.075 210.703 2.456 0 0 1099 {?} 7.302 0.034 0.141 {?} 122.696 0.126 0.181 {?} 4.993 1.237 1.994 188.730 8.242 0 0 1100 {?} 8.718 0.018 0.029 {?} 122.740 0.094 0.184 {?} 4.943 0.605 1.064 287.780 6.065 0 0 1101 {?} 7.304 0.028 0.050 {?} 122.722 0.177 0.296 {?} 4.873 1.128 2.051 177.300 7.161 0 0 1102 {?} 7.304 0.028 0.050 {?} 122.628 0.177 0.296 {?} 4.604 1.128 2.051 395.995 2.961 0 0 1103 {?} 7.307 0.037 0.052 {?} 122.674 0.164 0.235 {?} 4.459 1.069 1.527 514.231 2.408 0 0 1104 {?} 7.306 0.037 0.052 {?} 122.703 0.102 0.321 {?} 4.332 1.162 2.159 420.848 8.588 0 0 1105 {108.H} 7.306 0.037 0.052 {108.N} 122.704 0.102 0.321 {105.HA} 3.973 1.162 2.159 1216.490 8.588 0 0 1106 {108.H} 7.306 0.024 0.041 {108.N} 122.681 0.032 0.117 {106.HA} 3.686 1.119 2.001 210.486 1.562 0 0 1107 {?} 7.307 0.045 0.065 {?} 122.695 0.158 0.249 {?} 3.337 1.018 2.196 97.506 1.787 0 0 1108 {?} 7.302 0.037 0.052 {?} 122.665 0.192 0.274 {?} 3.196 1.199 1.894 321.844 4.830 0 0 1109 {108.H} 7.306 0.035 0.177 {108.N} 122.695 0.194 0.275 {108.HB2} 2.832 1.244 2.031 3514.097 1.599 0 0 1110 {108.H} 7.306 0.029 0.211 {108.N} 122.700 0.132 0.274 {107.HB3} 2.676 1.171 1.673 920.057 1.827 0 0 1111 {?} 7.306 0.029 0.211 {?} 122.693 0.132 0.274 {?} 2.461 1.171 1.673 2413.757 2.794 0 0 1112 {?} 7.304 0.029 0.211 {?} 122.748 0.132 0.274 {?} 2.051 1.171 1.673 116.463 10.447 0 0 1113 {?} 7.306 0.029 0.211 {?} 122.689 0.132 0.274 {?} 1.466 1.171 1.673 1065.019 10.447 0 0 1114 {108.H} 7.307 0.024 0.191 {108.N} 122.666 0.150 0.279 {109.HG21} 1.252 1.594 2.278 583.494 12.494 0 0 1115 {?} 7.310 0.029 0.096 {?} 122.655 0.160 0.252 {?} 1.136 1.286 1.836 272.835 7.835 0 0 1116 {?} 7.306 0.029 0.096 {?} 122.695 0.160 0.252 {?} 0.816 1.286 1.836 2146.586 1.958 0 0 1117 {?} 7.306 0.029 0.096 {?} 122.697 0.160 0.252 {?} 0.706 1.286 1.836 2131.467 7.112 0 0 1118 {?} 7.303 0.036 0.157 {?} 122.691 0.105 0.150 {?} 0.366 1.325 1.893 35.647 1.495 0 0 1119 {?} 7.305 0.026 0.092 {?} 122.653 0.125 0.179 {?} 0.250 1.154 1.649 186.095 4.150 0 0 1120 {108.H} 7.307 0.026 0.092 {108.N} 122.704 0.125 0.179 {152.HD12} -0.163 1.154 1.649 42.288 4.150 0 0 1121 {125.H 147.H} 8.517 0.026 0.092 {125.N 147.N} 122.258 0.125 0.179 {127.H 145.H} 9.049 1.154 1.649 954.704 4.150 0 0 1122 {147.H} 8.517 0.026 0.037 {147.N} 122.266 0.173 0.248 {148.H} 8.684 1.244 1.777 2059.095 8.290 0 0 1123 {125.H 147.H} 8.521 0.024 0.034 {125.N 147.N} 122.241 0.088 0.221 {125.H 147.H} 8.531 0.971 3.027 10798.974 4.002 0 0 1124 {?} 8.352 0.024 0.034 {?} 122.214 0.088 0.221 {?} 8.528 0.971 3.027 289.252 4.002 0 0 1125 {?} 8.332 0.037 0.052 {?} 122.219 0.162 0.265 {?} 8.518 1.272 2.056 160.968 3.402 0 0 1126 {147.H} 8.518 0.028 0.097 {147.N} 122.238 0.127 0.290 {150.H} 8.288 1.389 1.985 513.890 10.743 0 0 1127 {125.H} 8.520 0.023 0.038 {125.N} 122.270 0.041 0.065 {142.HE22} 8.060 0.804 1.507 169.386 12.500 0 0 1128 {?} 7.670 0.023 0.038 {?} 122.234 0.041 0.065 {?} 7.669 0.804 1.507 15.142 12.500 0 0 1129 {125.H} 8.525 0.023 0.038 {125.N} 122.192 0.041 0.065 {124.H} 7.468 0.804 1.507 834.595 12.500 0 0 1130 {125.H} 8.521 0.022 0.027 {125.N} 122.258 0.096 0.181 {123.H} 7.338 0.705 0.869 688.277 29.067 0 0 1131 {112.H} 10.326 0.025 0.032 {112.N} 122.124 0.113 0.226 {112.HE} 7.124 0.882 1.149 22.506 20.335 0 0 1132 {?} 8.519 0.025 0.032 {?} 122.270 0.113 0.226 {?} 7.005 0.882 1.149 329.209 20.335 0 0 1133 {?} 8.519 0.027 0.041 {?} 122.280 0.072 0.115 {?} 6.488 0.791 1.342 194.320 31.933 0 0 1134 {?} 8.514 0.029 0.023 {?} 122.240 0.046 0.032 {?} 6.346 1.050 0.731 167.267 418.768 0 0 1135 {125.H} 8.521 0.029 0.023 {125.N} 122.244 0.046 0.032 {142.HE21} 6.151 1.050 0.731 281.174 418.768 0 0 1136 {?} 8.519 0.029 0.023 {?} 122.306 0.046 0.032 {?} 5.825 1.050 0.731 298.146 418.768 0 0 1137 {?} 8.111 0.017 0.007 {?} 122.149 0.045 0.019 {?} 5.835 0.786 0.331 116.721 32.233 0 0 1138 {?} 8.520 0.017 0.007 {?} 122.235 0.045 0.019 {?} 5.431 0.786 0.331 516.391 32.233 0 0 1139 {?} 8.521 0.017 0.007 {?} 122.217 0.045 0.019 {?} 5.305 0.786 0.331 549.820 32.233 0 0 1140 {?} 8.524 0.017 0.007 {?} 122.204 0.045 0.019 {?} 5.192 0.786 0.331 424.825 32.233 0 0 1141 {?} 8.520 0.017 0.007 {?} 122.261 0.045 0.019 {?} 5.073 0.786 0.331 445.565 32.233 0 0 1142 {?} 8.516 0.017 0.007 {?} 122.289 0.045 0.019 {?} 4.889 0.786 0.331 227.613 32.233 0 0 1143 {125.H} 8.519 0.017 0.007 {125.N} 122.253 0.045 0.019 {127.HA} 4.706 0.786 0.331 530.195 32.233 0 0 1144 {147.H} 8.518 0.017 0.007 {147.N} 122.256 0.045 0.019 {147.HA} 4.253 0.786 0.331 2650.854 32.233 0 0 1145 {?} 8.527 0.017 0.001 {?} 122.181 0.119 0.008 {?} 3.673 0.849 0.060 1335.787 7.572 0 0 1146 {?} 8.517 0.014 0.001 {?} 122.267 0.113 0.007 {?} 3.376 1.469 0.109 867.040 7.176 0 0 1147 {147.H} 8.516 0.014 0.001 {147.N} 122.274 0.113 0.007 {147.HD2} 3.254 1.469 0.109 1621.942 7.176 0 0 1148 {?} 8.526 0.014 0.001 {?} 122.189 0.113 0.007 {?} 2.834 1.469 0.109 1701.127 7.176 0 0 1149 {?} 8.518 0.014 0.001 {?} 122.278 0.113 0.007 {?} 2.482 1.469 0.109 376.250 7.176 0 0 1150 {147.H} 8.516 0.014 0.001 {147.N} 122.274 0.113 0.007 {147.HB2} 2.131 1.469 0.109 6974.896 7.176 0 0 1151 {?} 8.516 0.014 0.001 {?} 122.271 0.113 0.007 {?} 2.033 1.469 0.109 4794.659 7.176 0 0 1152 {?} 8.182 0.014 0.001 {?} 122.292 0.113 0.007 {?} 1.954 1.469 0.109 270.300 7.176 0 0 1153 {?} 8.517 0.024 0.037 {?} 122.265 0.087 0.149 {?} 1.896 0.932 1.598 2368.427 8.550 0 0 1154 {147.H 147.H} 8.517 0.028 0.070 {147.N 147.N} 122.281 0.084 0.204 {146.HB2 147.HG2} 1.755 0.845 2.141 976.979 13.069 0 0 1155 {?} 8.517 0.026 0.064 {?} 122.285 0.118 0.209 {?} 1.503 0.392 1.897 609.974 3.397 0 0 1156 {148.H 148.H} 8.672 0.036 0.049 {148.N 148.N} 122.152 0.052 0.230 {145.HD11 145.HD12} 1.185 0.845 1.141 54.633 1.952 0 0 1157 {?} 8.516 0.031 0.057 {?} 122.271 0.197 0.281 {?} 1.014 1.552 2.217 1427.221 3.541 0 0 1158 {125.H 125.H} 8.527 0.023 0.023 {125.N 125.N} 122.186 0.110 0.055 {127.HG11 127.HG13} 0.793 0.540 0.772 762.021 9.253 0 0 1159 {147.H 147.H} 8.514 0.027 0.059 {147.N 147.N} 122.282 0.137 0.224 {16.HG21 16.HG22} 0.191 0.871 1.867 109.848 4.452 0 0 1160 {87.H 112.H} 10.328 0.037 0.052 {87.N 112.N} 121.988 0.095 0.274 {87.H 112.H} 10.331 0.791 1.002 4421.335 3.564 0 0 1161 {?} 10.327 0.023 0.030 {?} 121.989 0.093 0.117 {?} 9.896 1.599 1.970 2297.617 3.336 0 0 1162 {19.H} 8.131 0.023 0.030 {19.N} 121.926 0.093 0.117 {139.H} 9.494 1.599 1.970 846.975 3.336 0 0 1163 {57.H} 8.985 0.032 0.055 {57.N} 121.954 0.092 0.196 {49.H} 9.429 0.927 1.809 576.252 2.429 0 0 1164 {19.H} 8.134 0.032 0.055 {19.N} 121.937 0.092 0.196 {141.H} 9.321 0.927 1.809 106.464 2.429 0 0 1165 {57.H} 8.987 0.032 0.055 {57.N} 121.968 0.092 0.196 {58.H} 9.304 0.927 1.809 275.980 2.429 0 0 1166 {62.H} 8.936 0.032 0.055 {62.N} 121.922 0.092 0.196 {61.H} 9.123 0.927 1.809 137.164 2.517 0 0 1167 {148.H} 8.676 0.032 0.055 {148.N} 122.004 0.092 0.196 {145.H} 9.052 0.927 1.809 109.392 2.264 0 0 1168 {57.H} 8.984 0.019 0.013 {57.N} 121.962 0.155 0.105 {57.H} 8.980 1.154 0.790 4330.770 10.046 0 0 1169 {26.H} 7.920 0.019 0.013 {26.N} 121.881 0.155 0.105 {27.H} 8.973 1.154 0.790 91.971 10.046 0 0 1170 {57.H 62.H} 8.931 0.019 0.013 {57.N 62.N} 121.952 0.155 0.105 {57.H 62.H} 8.930 1.154 0.790 3742.540 10.046 0 0 1171 {?} 8.673 0.019 0.013 {?} 122.076 0.155 0.105 {?} 8.923 1.154 0.790 113.460 10.046 0 0 1172 {112.H} 10.330 0.019 0.013 {112.N} 121.962 0.155 0.105 {110.H} 8.844 1.154 0.790 422.977 10.046 0 0 1173 {19.H} 8.132 0.019 0.013 {19.N} 121.871 0.155 0.105 {20.H} 8.750 1.154 0.790 40.220 5.695 0 0 1174 {?} 8.983 0.019 0.013 {?} 121.976 0.155 0.105 {?} 8.707 1.154 0.790 485.401 5.695 0 0 1175 {148.H} 8.674 0.019 0.013 {148.N} 121.997 0.155 0.105 {148.H} 8.681 1.154 0.790 11710.152 5.695 0 0 1176 {151.H} 8.108 0.019 0.013 {151.N} 121.978 0.155 0.105 {148.H} 8.687 1.154 0.790 22.083 10.689 0 0 1177 {13.H} 8.041 0.019 0.013 {13.N} 122.002 0.155 0.105 {12.H} 8.689 1.154 0.790 1837.869 10.689 0 0 1178 {62.H} 8.930 0.019 0.013 {62.N} 121.938 0.155 0.105 {63.H} 8.633 1.154 0.790 597.263 10.689 0 0 1179 {148.H} 8.673 0.019 0.013 {148.N} 121.970 0.155 0.105 {147.H} 8.522 1.154 0.790 1671.625 4.639 0 0 1180 {?} 8.423 0.019 0.013 {?} 122.101 0.155 0.105 {?} 8.440 1.154 0.790 978.999 4.639 0 0 1181 {62.H} 8.928 0.019 0.013 {62.N} 121.999 0.155 0.105 {120.H} 8.362 1.154 0.790 128.421 4.639 0 0 1182 {151.H} 8.111 0.030 0.037 {151.N} 122.046 0.146 0.193 {150.H} 8.315 0.928 1.147 2081.213 3.500 0 0 1183 {148.H} 8.674 0.030 0.037 {148.N} 121.988 0.146 0.193 {149.H} 8.267 0.928 1.147 1290.409 3.500 0 0 1184 {?} 10.336 0.030 0.037 {?} 122.044 0.146 0.193 {?} 8.238 0.928 1.147 63.496 3.500 0 0 1185 {?} 8.932 0.032 0.070 {?} 121.969 0.124 0.178 {?} 8.186 1.078 2.106 663.976 5.468 0 0 1186 {57.H} 8.984 0.032 0.070 {57.N} 121.961 0.124 0.178 {56.H} 8.137 1.078 2.106 521.105 5.468 0 0 1187 {19.H 151.H} 8.115 0.032 0.070 {19.N 151.N} 122.011 0.124 0.178 {19.H 151.H} 8.121 1.078 2.106 18953.289 5.468 0 0 1188 {?} 7.792 0.030 0.039 {?} 121.913 0.048 0.301 {?} 8.091 0.725 0.891 120.388 7.303 0 0 1189 {13.H} 8.042 0.030 0.039 {13.N} 122.006 0.048 0.301 {13.H} 8.044 0.725 0.891 18901.990 7.303 0 0 1190 {112.H} 10.327 0.030 0.039 {112.N} 121.993 0.048 0.301 {111.H} 7.895 0.725 0.891 1373.108 7.303 0 0 1191 {151.H} 8.111 0.026 0.048 {151.N} 122.045 0.184 0.282 {153.H} 7.884 0.883 1.639 1575.486 17.857 0 0 1192 {?} 8.126 0.026 0.048 {?} 121.942 0.184 0.282 {?} 7.725 0.883 1.639 825.703 17.857 0 0 1193 {?} 10.331 0.026 0.048 {?} 121.975 0.184 0.282 {?} 7.679 0.883 1.639 117.054 17.857 0 0 1194 {62.H 57.H} 8.982 0.014 0.023 {62.N 57.N} 122.022 0.078 0.104 {65.H 114.H} 7.678 1.125 0.633 247.193 13.563 0 0 1195 {62.H 57.H} 8.932 0.014 0.023 {62.N 57.N} 121.978 0.078 0.104 {65.H 114.H} 7.667 1.125 0.633 339.764 13.563 0 0 1196 {13.H} 8.041 0.014 0.023 {13.N} 122.011 0.078 0.104 {15.H} 7.608 1.125 0.633 1450.402 13.563 0 0 1197 {?} 10.330 0.014 0.023 {?} 121.963 0.078 0.104 {?} 7.524 1.125 0.633 190.152 25.444 0 0 1198 {?} 8.112 0.016 0.037 {?} 121.975 0.167 0.174 {?} 7.516 0.889 0.942 517.276 23.911 0 0 1199 {?} 8.930 0.016 0.037 {?} 121.954 0.167 0.174 {?} 7.511 0.889 0.942 273.753 23.911 0 0 1200 {13.H} 8.042 0.016 0.037 {13.N} 122.009 0.167 0.174 {14.H} 7.412 0.889 0.942 7776.322 23.911 0 0 1201 {?} 8.931 0.016 0.037 {?} 121.935 0.167 0.174 {?} 7.384 0.889 0.942 279.799 23.911 0 0 1202 {87.H} 10.321 0.016 0.037 {87.N} 122.029 0.167 0.174 {86.HE21} 7.303 0.889 0.942 171.540 23.911 0 0 1203 {?} 8.673 0.016 0.037 {?} 121.994 0.167 0.174 {?} 7.304 0.889 0.942 1886.047 23.911 0 0 1204 {?} 8.113 0.025 0.013 {?} 121.998 0.090 0.046 {?} 7.246 1.082 0.551 1168.838 50.352 0 0 1205 {62.H} 8.932 0.034 0.082 {62.N} 121.963 0.062 0.240 {121.H} 7.212 1.034 1.914 354.678 40.555 0 0 1206 {62.H} 8.985 0.034 0.082 {62.N} 122.004 0.062 0.240 {121.H} 7.171 1.034 1.914 697.533 40.555 0 0 1207 {151.H} 8.112 0.034 0.082 {151.N} 122.044 0.062 0.240 {152.H} 7.101 1.034 1.914 2388.060 196.438 0 0 1208 {?} 8.676 0.031 0.097 {?} 121.977 0.126 0.179 {?} 7.041 1.036 1.480 623.976 34.950 0 0 1209 {?} 8.932 0.034 0.071 {?} 121.909 0.192 0.274 {?} 7.008 0.805 1.688 301.884 29.834 0 0 1210 {?} 8.985 0.034 0.071 {?} 121.937 0.192 0.274 {?} 6.923 0.805 1.688 147.528 3.029 0 0 1211 {?} 8.938 0.031 0.070 {?} 121.941 0.148 0.261 {?} 6.810 1.488 2.126 22.415 452.287 0 0 1212 {?} 8.985 0.031 0.070 {?} 121.968 0.148 0.261 {?} 6.698 1.488 2.126 721.747 452.287 0 0 1213 {?} 8.110 0.031 0.070 {?} 122.035 0.148 0.261 {?} 6.569 1.488 2.126 751.349 452.287 0 0 1214 {?} 8.672 0.034 0.097 {?} 122.006 0.206 0.301 {?} 6.512 0.916 1.965 338.659 2.480 0 0 1215 {?} 8.042 0.029 0.060 {?} 122.011 0.163 0.293 {?} 6.502 0.882 1.922 1038.416 180.692 0 0 1216 {?} 8.114 0.029 0.060 {?} 122.001 0.163 0.293 {?} 6.330 0.882 1.922 147.210 180.692 0 0 1217 {?} 8.043 0.029 0.060 {?} 122.011 0.163 0.293 {?} 6.234 0.882 1.922 544.242 180.692 0 0 1218 {?} 8.112 0.027 0.029 {?} 121.958 0.126 0.181 {?} 6.204 1.350 1.467 223.325 4.764 0 0 1219 {?} 8.677 0.018 0.035 {?} 121.979 0.169 0.148 {?} 6.199 1.069 0.916 209.801 5.600 0 0 1220 {?} 8.668 0.029 0.039 {?} 121.942 0.054 0.167 {?} 6.031 0.974 1.255 89.476 2.119 0 0 1221 {?} 8.673 0.029 0.046 {?} 121.944 0.142 0.194 {?} 5.863 0.953 1.488 162.134 8.768 0 0 1222 {13.H} 8.042 0.025 0.008 {13.N} 121.999 0.124 0.046 {14.HD2} 5.862 1.030 0.382 798.340 3.854 0 0 1223 {?} 8.043 0.022 0.006 {?} 122.036 0.170 0.048 {?} 5.685 0.847 0.229 347.670 2.251 0 0 1224 {?} 10.328 0.027 0.040 {?} 122.033 0.139 0.174 {?} 5.659 1.071 1.599 275.976 6.622 0 0 1225 {?} 8.670 0.038 0.023 {?} 122.036 0.141 0.064 {?} 5.615 1.399 0.660 284.654 2.057 0 0 1226 {?} 8.677 0.023 0.039 {?} 121.972 0.086 0.158 {?} 5.503 0.836 1.466 159.342 1.906 0 0 1227 {?} 8.041 0.028 0.014 {?} 122.030 0.160 0.112 {?} 5.487 0.771 0.448 190.093 1.611 0 0 1228 {?} 10.327 0.025 0.076 {?} 122.038 0.144 0.268 {?} 5.297 0.895 2.148 106.456 13.057 0 0 1229 {?} 8.041 0.025 0.076 {?} 121.980 0.144 0.268 {?} 5.282 0.895 2.148 486.535 6.197 0 0 1230 {?} 8.130 0.025 0.076 {?} 121.941 0.144 0.268 {?} 5.255 0.895 2.148 1630.408 4.404 0 0 1231 {?} 8.671 0.037 0.052 {?} 122.015 0.080 0.257 {?} 5.237 1.052 1.503 418.660 10.293 0 0 1232 {?} 8.043 0.028 0.049 {?} 121.979 0.157 0.224 {?} 5.161 1.518 2.137 458.209 2.135 0 0 1233 {?} 8.127 0.037 0.052 {?} 121.952 0.206 0.294 {?} 5.152 0.782 1.182 1808.056 1.575 0 0 1234 {?} 8.984 0.026 0.037 {?} 121.969 0.177 0.253 {?} 5.033 1.388 1.963 709.876 13.296 0 0 1235 {?} 8.930 0.030 0.104 {?} 121.984 0.121 0.281 {?} 5.031 0.867 1.964 311.591 26.529 0 0 1236 {?} 8.122 0.030 0.104 {?} 121.982 0.121 0.281 {?} 5.024 0.867 1.964 1193.579 26.529 0 0 1237 {?} 10.331 0.030 0.104 {?} 121.952 0.121 0.281 {?} 5.000 0.867 1.964 174.422 26.529 0 0 1238 {?} 8.676 0.028 0.050 {?} 122.031 0.192 0.274 {?} 4.980 1.018 1.879 271.139 43.943 0 0 1239 {?} 8.042 0.028 0.050 {?} 122.026 0.192 0.274 {?} 4.969 1.018 1.879 905.862 43.943 0 0 1240 {87.H} 10.328 0.028 0.050 {87.N} 121.996 0.192 0.274 {85.HA} 4.869 1.018 1.879 266.857 43.943 0 0 1241 {?} 8.675 0.027 0.082 {?} 121.985 0.136 0.216 {?} 4.850 0.883 2.212 291.844 17.949 0 0 1242 {?} 8.985 0.026 0.037 {?} 121.956 0.173 0.280 {?} 4.778 1.133 1.652 349.682 514.498 0 0 1243 {?} 8.042 0.026 0.037 {?} 121.988 0.173 0.280 {?} 4.681 1.133 1.652 1012.758 514.498 0 0 1244 {?} 8.931 0.026 0.037 {?} 121.951 0.173 0.280 {?} 4.662 1.133 1.652 285.878 514.498 0 0 1245 {?} 8.118 0.026 0.037 {?} 121.975 0.173 0.280 {?} 4.654 1.133 1.652 1274.712 1.797 0 0 1246 {?} 8.674 0.026 0.037 {?} 122.070 0.143 0.205 {?} 4.589 1.086 2.231 588.602 1.628 0 0 1247 {?} 8.987 0.026 0.037 {?} 121.942 0.143 0.205 {?} 4.545 1.086 2.231 389.249 4.096 0 0 1248 {?} 8.042 0.026 0.037 {?} 122.025 0.143 0.205 {?} 4.460 1.086 2.231 576.174 5.939 0 0 1249 {?} 10.327 0.031 0.157 {?} 122.002 0.126 0.179 {?} 4.428 1.054 1.505 994.496 3.112 0 0 1250 {?} 8.980 0.031 0.157 {?} 121.960 0.126 0.179 {?} 4.390 1.054 1.505 377.814 3.112 0 0 1251 {62.H} 8.930 0.020 0.018 {62.N} 121.976 0.123 0.104 {121.HA} 4.249 0.882 0.733 706.127 3.977 0 0 1252 {151.H} 8.112 0.029 0.082 {151.N} 122.037 0.094 0.135 {150.HA} 4.247 0.817 1.975 2549.188 2.806 0 0 1253 {148.H} 8.674 0.029 0.082 {148.N} 121.987 0.094 0.135 {147.HA} 4.218 0.817 1.975 2044.412 3.897 0 0 1254 {151.H} 8.041 0.027 0.071 {151.N} 121.969 0.140 0.254 {150.HA} 4.203 0.799 1.802 525.184 2.984 0 0 1255 {112.H} 10.327 0.027 0.071 {112.N} 121.978 0.140 0.254 {112.HA} 4.178 0.799 1.802 1687.725 7.822 0 0 1256 {13.H} 8.042 0.027 0.071 {13.N} 122.004 0.140 0.254 {13.HA} 4.106 0.799 1.802 1516.388 7.822 0 0 1257 {151.H} 8.112 0.027 0.071 {151.N} 122.036 0.140 0.254 {151.HA} 4.027 0.799 1.802 1069.692 7.822 0 0 1258 {57.H} 8.985 0.030 0.048 {57.N} 121.944 0.192 0.274 {113.HA} 3.838 0.843 1.259 318.509 5.931 0 0 1259 {148.H} 8.674 0.030 0.048 {148.N} 121.988 0.192 0.274 {148.HB2} 3.767 0.843 1.259 1503.175 7.230 0 0 1260 {?} 8.132 0.030 0.048 {?} 121.928 0.192 0.274 {?} 3.601 0.843 1.259 30.367 25.553 0 0 1261 {?} 8.985 0.030 0.048 {?} 121.976 0.192 0.274 {?} 3.462 0.843 1.259 376.001 68.079 0 0 1262 {?} 8.928 0.030 0.048 {?} 121.995 0.192 0.274 {?} 3.447 0.843 1.259 288.508 68.079 0 0 1263 {?} 8.983 0.030 0.048 {?} 121.936 0.192 0.274 {?} 3.315 0.843 1.259 401.026 68.079 0 0 1264 {148.H} 8.674 0.030 0.048 {148.N} 122.001 0.192 0.274 {148.HB3} 3.299 0.843 1.259 1884.315 3.498 0 0 1265 {?} 8.129 0.026 0.032 {?} 121.950 0.130 0.146 {?} 3.263 0.957 1.091 287.566 5.446 0 0 1266 {112.H} 10.329 0.032 0.042 {112.N} 121.983 0.152 0.212 {112.HD2} 3.178 1.249 1.787 908.979 3.024 0 0 1267 {62.H} 8.933 0.027 0.038 {62.N} 121.948 0.090 0.301 {118.HB3} 3.180 1.050 1.938 1640.850 2.925 0 0 1268 {62.H} 8.981 0.032 0.050 {62.N} 121.957 0.174 0.249 {118.HB3} 3.142 1.428 1.952 843.493 1.467 0 0 1269 {19.H 19.H} 8.133 0.031 0.065 {19.N 19.N} 121.934 0.192 0.275 {19.HE2 19.HE3} 3.007 0.799 1.584 246.815 1.879 0 0 1270 {57.H} 8.985 0.031 0.065 {57.N} 121.955 0.192 0.275 {57.HB2} 2.982 0.799 1.584 1121.410 1.769 0 0 1271 {13.H} 8.041 0.031 0.082 {13.N} 121.993 0.146 0.265 {12.HB2} 2.858 0.865 2.121 2511.449 1.570 0 0 1272 {?} 7.924 0.031 0.082 {?} 121.834 0.146 0.265 {?} 2.799 0.865 2.121 299.194 1.623 0 0 1273 {?} 8.985 0.031 0.082 {?} 121.970 0.146 0.265 {?} 2.612 0.865 2.121 1178.870 1.517 0 0 1274 {?} 8.131 0.031 0.082 {?} 121.938 0.146 0.265 {?} 2.608 0.865 2.121 2066.636 27.381 0 0 1275 {?} 8.670 0.031 0.082 {?} 121.977 0.146 0.265 {?} 2.486 0.865 2.121 24.726 1.706 0 0 1276 {87.H 87.H} 10.327 0.025 0.071 {87.N 87.N} 122.013 0.113 0.161 {86.HB2 87.HG2} 2.455 0.858 2.062 324.237 23.936 0 0 1277 {?} 8.130 0.030 0.059 {?} 121.932 0.043 0.136 {?} 2.403 1.249 1.784 2939.179 1.681 0 0 1278 {?} 8.043 0.030 0.082 {?} 121.986 0.187 0.267 {?} 2.403 0.879 1.255 264.405 5.617 0 0 1279 {?} 8.932 0.029 0.054 {?} 121.973 0.151 0.265 {?} 2.312 1.099 1.980 779.737 2.183 0 0 1280 {?} 8.673 0.016 0.027 {?} 122.006 0.140 0.086 {?} 2.274 1.665 1.054 578.476 1.381 0 0 1281 {87.H} 10.327 0.026 0.022 {87.N} 122.008 0.093 0.075 {86.HB3} 2.238 1.115 0.927 1759.630 1.576 0 0 1282 {?} 8.126 0.049 0.075 {?} 121.947 0.095 0.142 {?} 2.133 0.924 1.494 2632.705 3.425 0 0 1283 {57.H} 8.933 0.049 0.075 {57.N} 121.956 0.095 0.142 {56.HB3} 2.100 0.924 1.494 383.393 3.425 0 0 1284 {148.H} 8.674 0.046 0.061 {148.N} 122.004 0.116 0.172 {147.HB2} 2.118 0.795 1.021 1886.756 2.619 0 0 1285 {?} 8.984 0.030 0.035 {?} 121.970 0.085 0.101 {?} 2.083 0.695 0.825 1628.040 2.300 0 0 1286 {148.H} 8.674 0.052 0.072 {148.N} 122.002 0.124 0.222 {147.HB3} 2.028 1.009 1.777 2098.768 4.190 0 0 1287 {?} 8.115 0.035 0.052 {?} 122.028 0.089 0.181 {?} 2.022 0.823 1.230 2705.210 3.756 0 0 1288 {112.H} 10.327 0.030 0.032 {112.N} 121.993 0.109 0.115 {110.HB2} 1.964 1.044 1.102 4217.915 1.982 0 0 1289 {62.H} 8.984 0.030 0.032 {62.N} 121.960 0.109 0.115 {62.HB2} 1.930 1.044 1.102 1023.630 1.982 0 0 1290 {62.H} 8.931 0.030 0.032 {62.N} 121.950 0.109 0.115 {62.HB2} 1.876 1.044 1.102 1784.660 1.982 0 0 1291 {?} 8.673 0.041 0.044 {?} 121.992 0.122 0.134 {?} 1.884 1.076 1.179 1112.960 2.145 0 0 1292 {19.H} 8.129 0.054 0.077 {19.N} 121.935 0.101 0.181 {19.HB2} 1.789 0.803 1.358 4396.186 4.916 0 0 1293 {148.H 148.H} 8.675 0.065 0.117 {148.N 148.N} 121.991 0.123 0.235 {146.HB2 147.HG2} 1.756 1.040 1.485 415.290 5.057 0 0 1294 {112.H} 10.328 0.025 0.052 {112.N} 121.990 0.096 0.158 {112.HB3} 1.690 0.939 1.365 4807.936 3.082 0 0 1295 {62.H} 8.932 0.036 0.075 {62.N} 121.964 0.092 0.131 {62.HB3} 1.699 0.901 1.230 2454.810 2.870 0 0 1296 {62.H} 8.984 0.043 0.073 {62.N} 121.973 0.109 0.174 {62.HG} 1.638 1.061 1.933 2679.454 4.166 0 0 1297 {?} 8.931 0.026 0.025 {?} 121.948 0.084 0.082 {?} 1.570 0.440 0.951 3431.540 1.841 0 0 1298 {148.H} 8.674 0.042 0.089 {148.N} 121.993 0.120 0.233 {145.HB2} 1.526 0.916 1.888 325.674 10.797 0 0 1299 {151.H} 8.112 0.025 0.020 {151.N} 122.034 0.076 0.139 {150.HB2} 1.535 1.075 0.797 5918.529 2.325 0 0 1300 {57.H} 8.984 0.025 0.020 {57.N} 122.012 0.076 0.139 {49.HB2} 1.420 1.075 0.797 852.416 2.325 0 0 1301 {?} 8.130 0.029 0.004 {?} 121.926 1.028 0.092 {?} 1.352 0.084 0.009 4130.753 2.725 0 0 1302 {13.H} 8.042 0.010 0.017 {13.N} 122.002 0.820 0.510 {13.HB2} 1.189 0.092 0.063 12383.085 3.743 0 0 1303 {?} 10.327 0.029 0.018 {?} 121.986 0.449 0.260 {?} 1.151 0.049 0.028 928.257 3.671 0 0 1304 {57.H} 8.932 0.033 0.138 {57.N} 121.952 0.531 1.316 {56.HB2} 1.154 0.082 0.200 3298.240 46.922 0 0 1305 {?} 8.983 0.033 0.040 {?} 121.962 0.624 0.792 {?} 1.132 0.074 0.090 2316.060 6.759 0 0 1306 {?} 10.327 0.041 0.036 {?} 121.968 0.466 0.388 {?} 1.002 0.155 0.136 181.280 4.470 0 0 1307 {?} 8.984 0.031 0.091 {?} 121.949 0.531 1.067 {?} 1.013 0.063 0.117 1946.770 15.632 0 0 1308 {?} 8.673 0.035 0.035 {?} 122.005 0.637 0.640 {?} 1.017 0.047 0.104 3923.420 5.241 0 0 1309 {?} 8.932 0.042 0.050 {?} 121.956 0.513 0.627 {?} 0.907 0.096 0.137 8361.980 6.713 0 0 1310 {151.H} 8.111 0.031 0.057 {151.N} 122.039 0.615 1.128 {151.HB1} 0.866 0.087 0.147 5782.678 13.731 0 0 1311 {?} 10.327 0.024 0.022 {?} 122.003 0.534 0.487 {?} 0.810 0.057 0.052 1383.749 4.790 0 0 1312 {?} 8.984 0.032 0.062 {?} 121.967 0.579 1.128 {?} 0.768 0.088 0.157 6139.400 15.790 0 0 1313 {62.H} 8.985 0.014 0.015 {62.N} 121.974 0.730 0.166 {44.HG22} 0.605 0.094 0.032 391.987 2.945 0 0 1314 {148.H} 8.675 0.036 0.028 {148.N} 122.013 0.667 0.517 {149.HD23} 0.554 0.082 0.138 204.556 4.257 0 0 1315 {?} 8.985 0.028 0.016 {?} 121.947 0.533 0.210 {?} 0.375 0.203 0.114 391.523 3.247 0 0 1316 {151.H 151.H} 8.111 0.028 0.019 {151.N 151.N} 122.082 0.635 0.403 {152.HD22 152.HD23} 0.386 0.064 0.105 156.956 3.819 0 0 1317 {148.H 148.H} 8.673 0.027 0.020 {148.N 148.N} 122.011 0.665 0.480 {16.HG21 16.HG22} 0.195 0.147 0.211 866.798 4.080 0 0 1318 {19.H} 8.131 0.026 0.023 {19.N} 121.816 0.466 0.389 {16.HG23} 0.204 0.061 0.123 43.282 4.473 0 0 1319 {62.H} 8.934 0.030 0.063 {62.N} 121.945 0.528 1.081 {67.HD12} 0.066 0.089 0.163 63.190 16.363 0 0 1320 {?} 8.111 0.036 0.056 {?} 122.011 0.527 0.855 {?} -0.161 0.115 0.271 139.503 10.036 0 0 1321 {?} 7.920 0.048 0.040 {?} 121.665 0.522 0.425 {?} 6.545 0.058 0.110 1166.528 4.394 0 0 1322 {?} 7.921 0.030 0.040 {?} 121.680 0.647 0.917 {?} 5.752 0.113 0.165 1562.177 7.561 0 0 1323 {26.H} 7.924 0.034 0.099 {26.N} 121.739 0.535 1.137 {26.HA} 4.076 0.112 0.196 1594.820 21.523 0 0 1324 {151.H} 8.134 0.031 0.043 {151.N} 121.747 0.513 0.751 {153.HA3} 3.827 0.135 0.246 32.253 8.785 0 0 1325 {?} 7.924 0.032 0.148 {?} 121.743 0.526 1.277 {?} 2.461 0.110 0.209 507.942 46.878 0 0 1326 {?} 7.923 0.027 0.007 {?} 121.766 0.624 0.169 {?} 2.164 0.072 0.020 1694.091 3.016 0 0 1327 {?} 7.923 0.033 0.066 {?} 121.730 0.544 1.073 {?} 1.986 0.142 0.203 8097.850 14.631 0 0 1328 {26.H} 7.924 0.033 0.095 {26.N} 121.733 0.505 1.106 {26.HG23} 0.925 0.073 0.236 10272.800 21.120 0 0 1329 {4.H} 8.822 0.017 0.030 {4.N} 121.316 0.590 0.426 {4.H} 8.829 0.111 0.086 142.703 4.081 0 0 1330 {9.H} 7.900 0.032 0.008 {9.N} 121.347 0.570 0.102 {11.H} 8.849 0.082 0.020 204.253 2.863 0 0 1331 {154.H} 7.981 0.020 0.016 {154.N} 121.361 0.776 0.563 {155.H} 8.784 0.083 0.063 657.548 4.013 0 0 1332 {9.H} 7.901 0.007 0.005 {9.N} 121.368 1.059 0.380 {12.H} 8.694 0.087 0.027 37.056 3.008 0 0 1333 {33.H} 7.833 0.023 0.000 {33.N} 121.296 0.621 0.005 {34.H} 8.152 0.072 0.001 240.442 2.617 0 0 1334 {4.H 4.H 4.H} 8.814 0.024 0.002 {4.N 4.N 4.N} 121.358 0.801 0.055 {5.H 7.H 8.H} 7.992 0.115 0.011 54.485 2.697 0 0 1335 {154.H} 7.981 0.023 0.006 {154.N} 121.359 1.018 0.373 {154.H} 7.981 0.088 0.029 29125.744 3.035 0 0 1336 {9.H} 7.901 0.033 0.058 {9.N} 121.369 0.677 1.076 {9.H} 7.904 0.074 0.104 23513.133 11.055 0 0 1337 {154.H} 7.980 0.033 0.058 {154.N} 121.361 0.677 1.076 {153.H} 7.866 0.074 0.104 5132.041 11.055 0 0 1338 {33.H} 7.832 0.036 0.153 {33.N} 121.280 0.712 1.706 {33.H} 7.828 0.074 0.176 10117.500 77.770 0 0 1339 {?} 7.979 0.038 0.100 {?} 121.366 0.752 1.236 {?} 7.749 0.105 0.151 1017.157 19.505 0 0 1340 {?} 7.902 0.027 0.019 {?} 121.373 1.002 0.683 {?} 7.638 0.162 0.109 1802.241 3.684 0 0 1341 {?} 7.980 0.035 0.057 {?} 121.396 0.710 0.984 {?} 7.621 0.074 0.111 676.047 9.218 0 0 1342 {?} 7.981 0.015 0.006 {?} 121.419 0.761 0.314 {?} 7.495 0.050 0.063 796.239 3.283 0 0 1343 {?} 7.830 0.030 0.039 {?} 121.279 0.684 0.914 {?} 7.461 0.117 0.154 988.899 7.195 0 0 1344 {?} 7.901 0.025 0.017 {?} 121.386 0.912 0.662 {?} 7.421 0.094 0.049 4279.557 3.822 0 0 1345 {?} 7.980 0.038 0.060 {?} 121.413 0.621 0.987 {?} 7.321 0.062 0.073 811.866 9.822 0 0 1346 {?} 7.832 0.037 0.065 {?} 121.288 0.656 1.098 {?} 7.334 0.147 0.211 1370.440 14.037 0 0 1347 {154.H} 7.981 0.032 0.047 {154.N} 121.372 0.716 0.995 {152.H} 7.098 0.105 0.151 1722.710 8.891 0 0 1348 {154.H} 7.901 0.041 0.047 {154.N} 121.347 0.783 0.887 {152.H} 7.100 0.172 0.246 1377.026 6.230 0 0 1349 {?} 7.979 0.038 0.039 {?} 121.380 0.779 0.803 {?} 6.858 0.097 0.139 273.519 5.415 0 0 1350 {?} 7.830 0.036 0.044 {?} 121.322 0.707 0.911 {?} 6.812 0.084 0.101 253.144 7.054 0 0 1351 {?} 7.981 0.040 0.053 {?} 121.377 0.672 0.917 {?} 6.718 0.091 0.123 156.939 8.385 0 0 1352 {?} 7.900 0.034 0.022 {?} 121.360 1.063 0.632 {?} 6.704 0.133 0.140 984.566 3.404 0 0 1353 {9.H} 7.827 0.019 0.021 {9.N} 121.336 0.934 0.426 {8.HD1} 6.689 0.084 0.099 244.180 3.216 0 0 1354 {?} 7.985 0.039 0.019 {?} 121.422 0.652 0.334 {?} 6.562 0.063 0.088 362.370 3.505 0 0 1355 {?} 7.833 0.034 0.037 {?} 121.296 0.711 0.794 {?} 6.533 0.105 0.151 236.200 6.009 0 0 1356 {?} 7.901 0.037 0.125 {?} 121.407 0.707 1.357 {?} 6.511 0.141 0.202 1305.016 34.292 0 0 1357 {?} 7.827 0.037 0.087 {?} 121.310 0.712 1.299 {?} 6.391 0.116 0.202 263.628 28.654 0 0 1358 {?} 7.982 0.037 0.087 {?} 121.391 0.686 1.173 {?} 6.313 0.105 0.151 564.779 18.031 0 0 1359 {?} 7.900 0.037 0.148 {?} 121.347 0.719 1.540 {?} 6.216 0.143 0.209 1089.899 45.284 0 0 1360 {?} 7.833 0.022 0.051 {?} 121.297 0.525 1.371 {?} 6.090 0.071 0.162 60.935 96.576 0 0 1361 {?} 7.982 0.031 0.031 {?} 121.399 0.559 0.543 {?} 6.065 0.050 0.106 155.902 5.070 0 0 1362 {?} 7.982 0.034 0.115 {?} 121.333 0.621 1.630 {?} 5.914 0.088 0.287 284.877 55.356 0 0 1363 {?} 7.829 0.036 0.085 {?} 121.346 0.604 1.264 {?} 5.901 0.093 0.240 82.215 23.006 0 0 1364 {?} 7.897 0.036 0.034 {?} 121.379 0.926 0.880 {?} 5.825 0.101 0.097 840.115 4.947 0 0 1365 {?} 7.982 0.031 0.044 {?} 121.363 0.538 0.820 {?} 5.799 0.107 0.152 535.956 9.002 0 0 1366 {?} 7.830 0.036 0.085 {?} 121.252 0.611 1.278 {?} 5.662 0.124 0.340 200.439 23.499 0 0 1367 {?} 7.981 0.035 0.088 {?} 121.281 0.587 1.314 {?} 5.650 0.088 0.206 253.086 33.064 0 0 1368 {?} 7.982 0.041 0.033 {?} 121.327 0.497 0.388 {?} 5.525 0.029 0.051 362.379 4.277 0 0 1369 {?} 7.838 0.030 0.027 {?} 121.317 0.848 0.779 {?} 5.512 0.068 0.128 210.753 4.641 0 0 1370 {?} 7.979 0.028 0.011 {?} 121.339 0.910 0.327 {?} 5.407 0.134 0.192 500.889 3.054 0 0 1371 {?} 7.901 0.026 0.013 {?} 121.404 0.969 0.565 {?} 5.350 0.082 0.119 630.931 3.501 0 0 1372 {?} 7.979 0.023 0.008 {?} 121.406 0.646 0.219 {?} 5.279 0.047 0.050 288.915 3.139 0 0 1373 {?} 7.833 0.033 0.018 {?} 121.364 0.932 0.517 {?} 5.257 0.192 0.116 599.062 3.469 0 0 1374 {?} 7.978 0.042 0.068 {?} 121.320 0.620 1.059 {?} 5.122 0.128 0.200 902.609 11.974 0 0 1375 {?} 7.826 0.039 0.057 {?} 121.228 0.604 1.012 {?} 5.077 0.080 0.126 94.032 9.674 0 0 1376 {?} 7.982 0.037 0.089 {?} 121.318 0.541 1.195 {?} 5.019 0.097 0.139 492.038 28.127 0 0 1377 {?} 7.901 0.034 0.032 {?} 121.388 0.578 0.519 {?} 4.959 0.105 0.151 1092.148 4.733 0 0 1378 {?} 7.981 0.039 0.047 {?} 121.360 0.624 0.774 {?} 4.875 0.147 0.211 519.338 6.569 0 0 1379 {?} 7.830 0.037 0.049 {?} 121.307 0.593 0.840 {?} 4.642 0.104 0.168 648.843 8.026 0 0 1380 {?} 7.982 0.036 0.033 {?} 121.393 0.611 0.532 {?} 4.487 0.105 0.151 1079.573 4.620 0 0 1381 {?} 7.900 0.035 0.120 {?} 121.319 0.583 1.329 {?} 4.440 0.076 0.108 674.635 40.225 0 0 1382 {9.H} 7.833 0.035 0.098 {9.N} 121.315 0.610 1.321 {9.HA} 4.376 0.153 0.218 793.974 37.053 0 0 1383 {?} 7.981 0.035 0.083 {?} 121.357 0.561 1.202 {?} 4.251 0.105 0.151 1931.577 22.688 0 0 1384 {154.H} 7.981 0.029 0.040 {154.N} 121.360 0.639 0.880 {154.HA} 4.022 0.098 0.138 1597.274 8.000 0 0 1385 {33.H 33.H} 7.832 0.029 0.039 {33.N 33.N} 121.282 0.616 0.855 {32.HA2 33.HA} 3.997 0.069 0.085 3120.753 7.638 0 0 1386 {?} 7.982 0.020 0.027 {?} 121.350 0.935 1.264 {?} 3.807 0.053 0.079 564.224 8.558 0 0 1387 {?} 7.980 0.025 0.008 {?} 121.388 0.682 0.152 {?} 3.611 0.202 0.091 142.565 2.933 0 0 1388 {?} 7.899 0.028 0.030 {?} 121.316 0.876 0.914 {?} 3.530 0.094 0.097 610.933 5.518 0 0 1389 {?} 7.900 0.036 0.145 {?} 121.344 0.670 1.773 {?} 3.388 0.081 0.228 1292.809 86.671 0 0 1390 {4.H} 8.802 0.036 0.060 {4.N} 121.395 0.733 1.183 {4.HA} 3.351 0.119 0.211 44.159 13.972 0 0 1391 {9.H} 7.900 0.040 0.041 {9.N} 121.351 0.598 0.628 {8.HB2} 3.263 0.102 0.145 2312.122 5.484 0 0 1392 {?} 7.901 0.028 0.047 {?} 121.354 0.765 1.085 {?} 3.127 0.086 0.141 861.681 9.716 0 0 1393 {?} 7.982 0.022 0.014 {?} 121.429 0.837 0.634 {?} 2.987 0.102 0.071 187.264 3.837 0 0 1394 {9.H} 7.900 0.036 0.077 {9.N} 121.341 0.655 1.224 {8.HB3} 2.991 0.075 0.144 1702.961 20.245 0 0 1395 {33.H} 7.832 0.027 0.061 {33.N} 121.298 0.749 1.507 {31.HB2} 2.369 0.069 0.122 900.179 35.248 0 0 1396 {33.H} 7.833 0.024 0.033 {33.N} 121.287 0.516 0.757 {34.HG3} 2.243 0.062 0.086 1306.293 8.822 0 0 1397 {?} 7.980 0.035 0.021 {?} 121.351 0.765 0.353 {?} 2.227 0.089 0.043 768.036 3.392 0 0 1398 {?} 7.831 0.035 0.070 {?} 121.281 0.546 1.254 {?} 2.024 0.103 0.189 3058.914 27.191 0 0 1399 {?} 7.979 0.035 0.063 {?} 121.392 0.567 1.174 {?} 1.986 0.105 0.151 2166.132 16.521 0 0 1400 {4.H} 8.812 0.030 0.035 {4.N} 121.365 0.800 0.890 {4.HB3} 1.949 0.100 0.111 125.260 6.015 0 0 1401 {154.H} 7.981 0.035 0.070 {154.N} 121.363 0.543 1.239 {154.HB} 1.826 0.140 0.250 4036.341 27.015 0 0 1402 {33.H} 7.832 0.029 0.041 {33.N} 121.277 0.610 0.951 {33.HG} 1.761 0.108 0.146 8749.872 8.436 0 0 1403 {4.H 4.H} 8.805 0.035 0.045 {4.N 4.N} 121.363 0.533 0.691 {4.HB2 7.HB2} 1.672 0.053 0.155 216.251 7.364 0 0 1404 {9.H} 7.900 0.034 0.085 {9.N} 121.332 0.538 1.499 {9.HB3} 1.595 0.072 0.103 10170.184 66.726 0 0 1405 {154.H} 7.981 0.035 0.037 {154.N} 121.372 0.761 0.807 {152.HB2} 1.538 0.088 0.092 3287.617 5.586 0 0 1406 {?} 7.832 0.035 0.080 {?} 121.283 0.621 1.164 {?} 1.502 0.117 0.156 2530.300 21.139 0 0 1407 {?} 7.981 0.033 0.031 {?} 121.401 0.961 0.925 {?} 1.381 0.052 0.111 867.295 4.984 0 0 1408 {?} 8.808 0.035 0.023 {?} 121.359 0.738 0.448 {?} 1.246 0.105 0.151 500.007 3.749 0 0 1409 {4.H 4.H} 8.812 0.037 0.049 {4.N 4.N} 121.360 0.591 0.883 {4.HG2 4.HG3} 1.093 0.105 0.151 121.471 8.479 0 0 1410 {?} 7.832 0.034 0.009 {?} 121.294 0.863 0.236 {?} 0.904 0.105 0.151 4264.268 2.994 0 0 1411 {?} 7.981 0.033 0.037 {?} 121.361 0.740 0.812 {?} 0.831 0.147 0.211 7356.562 5.898 0 0 1412 {154.H} 7.981 0.028 0.022 {154.N} 121.355 0.796 0.654 {149.HD22} 0.548 0.128 0.102 557.846 4.341 0 0 1413 {4.H} 8.810 0.028 0.022 {4.N} 121.267 0.796 0.654 {132.HD21} 0.520 0.128 0.102 48.402 4.341 0 0 1414 {?} 7.982 0.036 0.043 {?} 121.322 0.719 0.900 {?} 0.392 0.046 0.120 222.773 7.169 0 0 1415 {?} 7.900 0.037 0.041 {?} 121.291 0.503 0.569 {?} 0.268 0.063 0.152 342.387 5.996 0 0 1416 {154.H} 7.979 0.032 0.028 {154.N} 121.356 0.704 0.614 {105.HD11} 0.240 0.132 0.114 75.917 4.649 0 0 1417 {?} 7.981 0.033 0.061 {?} 121.368 0.576 1.208 {?} -0.158 0.090 0.168 329.983 18.847 0 0 1418 {65.H} 7.670 0.033 0.061 {65.N} 120.921 0.576 1.208 {62.H} 8.925 0.090 0.168 313.663 18.847 0 0 1419 {150.H} 8.306 0.026 0.013 {150.N} 120.891 0.795 0.319 {148.H} 8.680 0.063 0.080 261.211 3.227 0 0 1420 {?} 7.669 0.022 0.023 {?} 120.960 0.832 0.870 {?} 8.655 0.157 0.164 481.529 5.486 0 0 1421 {65.H} 7.670 0.035 0.019 {65.N} 120.959 0.886 0.435 {64.H} 8.197 0.147 0.211 401.219 3.454 0 0 1422 {35.H} 7.328 0.034 0.045 {35.N} 120.972 0.561 0.710 {34.H} 8.157 0.088 0.107 420.706 6.911 0 0 1423 {150.H} 8.306 0.040 0.022 {150.N} 120.917 0.909 0.571 {151.H} 8.114 0.134 0.192 1786.294 3.537 0 0 1424 {35.H} 7.329 0.023 0.016 {35.N} 121.032 0.765 0.571 {32.H} 7.957 0.100 0.081 14.523 4.121 0 0 1425 {150.H} 8.307 0.030 0.032 {150.N} 120.883 0.711 0.781 {153.H} 7.872 0.061 0.151 267.721 5.712 0 0 1426 {35.H} 7.325 0.037 0.045 {35.N} 121.033 0.692 0.958 {33.H} 7.832 0.147 0.211 196.137 7.490 0 0 1427 {65.H} 7.670 0.037 0.085 {65.N} 120.962 0.654 1.251 {65.H} 7.667 0.091 0.131 12085.380 32.388 0 0 1428 {?} 7.670 0.041 0.049 {?} 120.920 0.562 0.717 {?} 7.396 0.054 0.162 1527.274 6.997 0 0 1429 {35.H} 7.327 0.035 0.051 {35.N} 120.966 0.706 1.003 {35.H} 7.335 0.105 0.151 6099.390 8.929 0 0 1430 {?} 8.305 0.040 0.053 {?} 120.887 0.535 0.729 {?} 7.301 0.062 0.171 551.924 7.697 0 0 1431 {?} 7.670 0.036 0.076 {?} 121.041 0.650 1.182 {?} 7.191 0.124 0.237 583.618 20.109 0 0 1432 {134.H} 7.832 0.023 0.017 {134.N} 121.144 0.658 0.497 {133.H} 7.065 0.088 0.158 170.949 4.187 0 0 1433 {?} 7.670 0.033 0.067 {?} 120.904 0.545 1.092 {?} 7.041 0.102 0.154 558.912 16.648 0 0 1434 {?} 7.674 0.037 0.158 {?} 120.954 0.679 1.800 {?} 6.893 0.084 0.174 343.502 102.312 0 0 1435 {?} 8.304 0.037 0.158 {?} 120.909 0.679 1.800 {?} 6.814 0.084 0.174 28.039 102.312 0 0 1436 {?} 7.323 0.037 0.073 {?} 121.077 0.700 1.071 {?} 6.610 0.140 0.201 5.598 12.874 0 0 1437 {?} 7.669 0.038 0.042 {?} 121.000 0.674 0.794 {?} 6.532 0.104 0.118 328.716 6.210 0 0 1438 {?} 7.670 0.031 0.020 {?} 120.960 0.917 0.505 {?} 6.420 0.105 0.074 209.699 3.668 0 0 1439 {?} 7.790 0.031 0.020 {?} 121.087 0.917 0.505 {?} 6.265 0.105 0.074 79.420 3.668 0 0 1440 {?} 7.671 0.035 0.069 {?} 120.994 0.572 1.304 {?} 6.257 0.159 0.230 295.700 25.930 0 0 1441 {?} 7.670 0.025 0.031 {?} 121.015 0.633 0.823 {?} 6.137 0.072 0.086 290.545 6.861 0 0 1442 {?} 7.801 0.035 0.085 {?} 120.910 0.543 1.371 {?} 6.104 0.078 0.111 73.327 57.967 0 0 1443 {?} 7.668 0.035 0.085 {?} 120.891 0.543 1.371 {?} 6.007 0.078 0.111 239.795 57.967 0 0 1444 {?} 7.798 0.026 0.009 {?} 121.026 0.900 0.290 {?} 5.925 0.190 0.271 16.439 3.123 0 0 1445 {?} 7.674 0.029 0.021 {?} 120.912 0.699 0.431 {?} 5.851 0.106 0.074 410.837 3.773 0 0 1446 {?} 7.324 0.030 0.009 {?} 120.917 0.918 0.372 {?} 5.661 0.063 0.022 7.673 3.141 0 0 1447 {?} 7.321 0.034 0.038 {?} 120.968 0.711 0.834 {?} 5.429 0.131 0.147 5.596 6.244 0 0 1448 {?} 7.670 0.027 0.018 {?} 120.919 0.740 0.449 {?} 5.366 0.098 0.140 345.840 3.795 0 0 1449 {?} 8.305 0.026 0.015 {?} 120.973 0.764 0.395 {?} 5.136 0.063 0.035 459.917 3.563 0 0 1450 {?} 7.670 0.036 0.041 {?} 120.983 0.517 0.609 {?} 4.978 0.077 0.086 595.498 6.334 0 0 1451 {?} 8.307 0.034 0.164 {?} 120.901 0.533 1.720 {?} 4.880 0.082 0.146 699.664 128.758 0 0 1452 {?} 7.672 0.033 0.057 {?} 120.951 0.547 1.024 {?} 4.608 0.077 0.135 846.656 12.217 0 0 1453 {?} 7.328 0.041 0.043 {?} 120.949 0.767 0.802 {?} 4.601 0.049 0.112 98.118 5.519 0 0 1454 {?} 7.327 0.032 0.144 {?} 120.885 0.555 0.794 {?} 4.491 0.080 0.136 118.031 167.443 0 0 1455 {?} 7.326 0.034 0.056 {?} 120.980 0.542 0.914 {?} 4.369 0.211 0.301 359.038 10.130 0 0 1456 {65.H} 7.670 0.029 0.045 {65.N} 120.934 0.545 0.809 {64.HA} 4.274 0.085 0.110 2259.310 8.111 0 0 1457 {150.H} 8.306 0.032 0.023 {150.N} 120.884 0.791 0.497 {150.HA} 4.244 0.096 0.137 2015.425 3.822 0 0 1458 {35.H} 7.328 0.033 0.051 {35.N} 120.969 0.493 0.891 {34.HA} 4.124 0.089 0.147 894.459 12.561 0 0 1459 {65.H} 7.670 0.052 0.019 {65.N} 120.932 0.952 0.298 {65.HB} 4.113 0.105 0.151 1628.741 2.997 0 0 1460 {35.H 35.H} 7.324 0.036 0.050 {35.N 35.N} 120.973 0.483 0.691 {32.HA3 33.HA} 3.963 0.075 0.110 86.383 9.087 0 0 1461 {65.H} 7.671 0.030 0.015 {65.N} 120.940 0.634 0.249 {65.HA} 3.934 0.042 0.045 670.356 3.246 0 0 1462 {?} 8.305 0.035 0.052 {?} 120.885 0.480 0.750 {?} 3.606 0.038 0.118 331.630 10.008 0 0 1463 {35.H} 7.326 0.032 0.060 {35.N} 120.964 0.586 1.169 {35.HA} 3.611 0.076 0.131 1064.560 15.256 0 0 1464 {?} 7.670 0.035 0.056 {?} 120.971 0.491 0.861 {?} 3.411 0.102 0.175 27.917 12.295 0 0 1465 {?} 7.335 0.031 0.015 {?} 120.955 0.900 0.378 {?} 3.346 0.153 0.085 31.248 3.232 0 0 1466 {65.H} 7.669 0.029 0.019 {65.N} 120.983 0.755 0.385 {45.HE3} 3.234 0.105 0.151 367.915 3.530 0 0 1467 {?} 6.954 0.024 0.011 {?} 120.948 1.014 0.562 {?} 3.181 0.190 0.271 30.048 3.283 0 0 1468 {65.H} 7.670 0.036 0.015 {65.N} 120.932 0.738 0.156 {45.HE2} 2.709 0.078 0.068 155.396 2.916 0 0 1469 {65.H} 7.669 0.022 0.017 {65.N} 120.937 0.930 0.707 {64.HB2} 2.262 0.190 0.271 1005.237 3.989 0 0 1470 {35.H} 7.327 0.037 0.032 {35.N} 120.928 0.625 0.507 {34.HG3} 2.249 0.081 0.150 1282.210 4.388 0 0 1471 {?} 7.670 0.033 0.030 {?} 120.918 0.534 0.475 {?} 2.145 0.108 0.097 1558.535 4.696 0 0 1472 {35.H} 7.326 0.024 0.003 {35.N} 120.964 0.819 0.082 {34.HB2} 2.045 0.095 0.014 2145.200 2.742 0 0 1473 {?} 7.670 0.022 0.009 {?} 120.921 0.673 0.224 {?} 1.889 0.113 0.052 2447.890 3.128 0 0 1474 {90.H} 7.670 0.027 0.021 {90.N} 120.921 0.947 0.649 {90.HB3} 1.706 0.190 0.271 1535.450 3.925 0 0 1475 {35.H} 7.327 0.037 0.032 {35.N} 120.964 0.510 0.418 {35.HB} 1.704 0.098 0.080 2359.270 4.421 0 0 1476 {90.H} 7.672 0.032 0.024 {90.N} 120.973 0.770 0.521 {90.HG} 1.567 0.147 0.211 769.715 3.901 0 0 1477 {150.H 150.H} 8.306 0.031 0.029 {150.N 150.N} 120.907 0.569 0.524 {150.HB1 150.HB2} 1.536 0.147 0.211 6121.688 4.832 0 0 1478 {?} 7.326 0.025 0.015 {?} 120.962 0.521 0.287 {?} 1.476 0.105 0.151 956.306 3.596 0 0 1479 {35.H} 7.327 0.037 0.036 {35.N} 120.969 0.683 0.673 {35.HG12} 1.254 0.101 0.100 1349.540 5.138 0 0 1480 {?} 7.670 0.023 0.021 {?} 120.931 0.484 0.441 {?} 1.151 0.147 0.211 1323.820 4.792 0 0 1481 {?} 7.670 0.041 0.033 {?} 120.939 0.520 0.372 {?} 0.929 0.230 0.181 4070.615 4.061 0 0 1482 {?} 7.327 0.024 0.024 {?} 120.973 0.587 0.579 {?} 0.882 0.179 0.256 2181.940 5.149 0 0 1483 {?} 7.327 0.025 0.015 {?} 120.969 0.621 0.288 {?} 0.766 0.110 0.177 2055.370 3.393 0 0 1484 {35.H 35.H 35.H} 7.326 0.032 0.030 {35.N 35.N 35.N} 120.954 0.552 0.520 {35.HD11 35.HD12 35.HD13} 0.309 0.147 0.211 851.780 4.926 0 0 1485 {?} 7.670 0.026 0.026 {?} 120.953 0.560 0.572 {?} 0.068 0.039 0.086 132.351 5.329 0 0 1486 {?} 6.954 0.030 0.041 {?} 120.656 0.539 0.745 {?} 9.485 0.105 0.151 47.118 7.786 0 0 1487 {?} 8.212 0.027 0.021 {?} 120.644 0.595 0.406 {?} 9.478 0.147 0.211 146.720 3.957 0 0 1488 {80.H} 8.636 0.033 0.046 {80.N} 120.713 0.611 0.987 {80.H} 8.652 0.105 0.151 7931.130 9.143 0 0 1489 {150.H} 8.306 0.030 0.050 {150.N} 120.786 0.502 0.880 {147.H} 8.512 0.063 0.090 351.046 11.424 0 0 1490 {150.H} 8.307 0.033 0.059 {150.N} 120.804 0.573 1.288 {150.H} 8.314 0.063 0.090 10881.109 18.751 0 0 1491 {?} 8.123 0.033 0.114 {?} 120.713 0.738 2.017 {?} 8.300 0.079 0.124 580.667 90.778 0 0 1492 {55.HE22} 8.212 0.034 0.029 {55.NE2} 120.680 0.620 0.504 {55.HE22} 8.218 0.092 0.078 19123.359 4.393 0 0 1493 {55.HE21} 6.954 0.027 0.020 {55.NE2} 120.745 0.578 0.384 {55.HE22} 8.216 0.190 0.271 5091.188 3.906 0 0 1494 {80.H} 8.638 0.036 0.046 {80.N} 120.799 0.563 0.719 {52.H} 7.686 0.065 0.088 93.209 6.981 0 0 1495 {55.HE22} 8.212 0.032 0.032 {55.NE2} 120.666 0.536 0.545 {114.H} 7.687 0.130 0.131 464.780 5.301 0 0 1496 {55.HE21} 6.953 0.037 0.036 {55.NE2} 120.691 0.762 0.715 {114.H} 7.687 0.105 0.151 659.626 4.982 0 0 1497 {134.H} 7.794 0.036 0.056 {134.N} 120.742 0.497 0.895 {135.H} 7.572 0.121 0.218 2384.293 11.820 0 0 1498 {?} 7.790 0.036 0.027 {?} 120.717 0.776 0.559 {?} 7.446 0.111 0.081 654.619 4.144 0 0 1499 {90.H} 7.792 0.045 0.063 {90.N} 120.738 0.509 0.732 {91.H} 7.316 0.127 0.179 835.598 8.544 0 0 1500 {150.H} 8.307 0.035 0.067 {150.N} 120.853 0.566 1.240 {152.H} 7.094 0.085 0.165 1022.676 20.960 0 0 1501 {134.H} 7.797 0.034 0.102 {134.N} 120.757 0.513 1.275 {133.H} 7.075 0.147 0.211 620.434 40.355 0 0 1502 {55.HE22} 8.212 0.031 0.089 {55.NE2} 120.736 0.554 1.324 {55.HE21} 6.951 0.109 0.211 3200.571 49.652 0 0 1503 {55.HE21} 6.954 0.034 0.078 {55.NE2} 120.566 0.527 1.241 {55.HE21} 6.953 0.105 0.151 7629.374 24.713 0 0 1504 {90.H} 7.793 0.032 0.102 {90.N} 120.755 0.735 1.852 {88.H} 6.919 0.111 0.251 304.130 76.804 0 0 1505 {?} 8.209 0.034 0.050 {?} 120.773 0.559 0.983 {?} 6.708 0.105 0.151 389.698 10.561 0 0 1506 {?} 6.953 0.034 0.102 {?} 120.681 0.535 1.282 {?} 6.712 0.098 0.139 563.894 41.907 0 0 1507 {?} 7.794 0.033 0.047 {?} 120.725 0.552 0.931 {?} 6.531 0.077 0.112 360.871 10.394 0 0 1508 {?} 8.207 0.032 0.046 {?} 120.684 0.543 0.914 {?} 6.458 0.105 0.151 15.728 9.442 0 0 1509 {?} 6.954 0.037 0.022 {?} 120.669 0.631 0.314 {?} 6.471 0.104 0.062 478.606 3.471 0 0 1510 {?} 7.800 0.034 0.086 {?} 120.831 0.534 1.289 {?} 6.412 0.073 0.224 104.616 34.107 0 0 1511 {?} 8.304 0.042 0.025 {?} 120.675 0.470 0.218 {?} 6.033 0.068 0.032 327.687 3.396 0 0 1512 {?} 8.308 0.034 0.044 {?} 120.769 0.658 1.046 {?} 5.898 0.097 0.146 200.161 8.348 0 0 1513 {?} 7.746 0.034 0.044 {?} 120.672 0.658 1.046 {?} 5.779 0.097 0.146 151.145 8.348 0 0 1514 {?} 7.797 0.035 0.117 {?} 120.723 0.526 1.321 {?} 5.754 0.147 0.211 338.186 52.314 0 0 1515 {?} 8.306 0.033 0.100 {?} 120.866 0.544 1.360 {?} 5.665 0.152 0.324 223.504 58.232 0 0 1516 {?} 7.669 0.033 0.107 {?} 120.870 0.525 1.303 {?} 5.658 0.147 0.211 328.257 46.529 0 0 1517 {?} 7.738 0.028 0.035 {?} 120.612 0.672 0.937 {?} 5.630 0.072 0.083 192.081 6.709 0 0 1518 {?} 8.309 0.037 0.154 {?} 120.701 0.528 1.364 {?} 5.391 0.088 0.138 171.795 74.621 0 0 1519 {?} 7.794 0.037 0.129 {?} 120.861 0.512 1.485 {?} 5.251 0.077 0.110 47.006 67.958 0 0 1520 {?} 6.947 0.036 0.064 {?} 120.670 0.519 0.982 {?} 5.254 0.110 0.191 59.305 12.370 0 0 1521 {?} 6.954 0.029 0.007 {?} 120.706 0.762 0.201 {?} 5.080 0.074 0.083 16.578 2.999 0 0 1522 {?} 8.208 0.037 0.069 {?} 120.675 0.533 1.128 {?} 5.055 0.081 0.170 15.414 18.318 0 0 1523 {?} 8.215 0.042 0.079 {?} 120.778 0.495 1.071 {?} 4.929 0.062 0.120 7.949 17.468 0 0 1524 {?} 6.954 0.033 0.094 {?} 120.790 0.497 1.214 {?} 4.923 0.066 0.102 212.963 25.343 0 0 1525 {?} 6.955 0.037 0.057 {?} 120.649 0.519 0.942 {?} 4.653 0.099 0.141 114.577 11.665 0 0 1526 {?} 8.307 0.034 0.017 {?} 120.816 0.660 0.329 {?} 4.625 0.152 0.091 816.284 3.472 0 0 1527 {90.H} 7.793 0.025 0.015 {90.N} 120.767 0.593 0.329 {88.HA} 4.633 0.077 0.110 282.418 3.608 0 0 1528 {?} 8.214 0.024 0.021 {?} 120.693 0.670 0.560 {?} 4.510 0.073 0.126 282.718 4.481 0 0 1529 {?} 8.305 0.026 0.022 {?} 120.853 0.916 0.749 {?} 4.486 0.274 0.391 839.339 4.300 0 0 1530 {134.H} 7.795 0.034 0.051 {134.N} 120.735 0.492 0.797 {135.HA} 4.490 0.105 0.151 212.883 10.265 0 0 1531 {55.HE22} 8.216 0.049 0.017 {55.NE2} 120.727 0.751 0.274 {55.HA} 4.275 0.110 0.132 456.542 3.211 0 0 1532 {55.HE21 55.HE21} 6.953 0.040 0.078 {55.NE2 55.NE2} 120.694 0.488 1.112 {55.HA 114.HA} 4.276 0.088 0.129 383.209 20.512 0 0 1533 {55.HE22} 8.212 0.028 0.023 {55.NE2} 120.674 0.758 0.569 {113.HA} 3.833 0.078 0.139 276.981 4.239 0 0 1534 {55.HE21} 6.954 0.032 0.031 {55.NE2} 120.721 0.578 0.551 {113.HA} 3.836 0.063 0.090 389.560 4.989 0 0 1535 {?} 7.794 0.037 0.127 {?} 120.735 0.502 1.322 {?} 3.743 0.094 0.172 576.526 51.984 0 0 1536 {134.H} 7.794 0.038 0.071 {134.N} 120.752 0.551 1.171 {132.HA} 3.530 0.070 0.104 172.063 17.853 0 0 1537 {80.H} 8.637 0.036 0.057 {80.N} 120.733 0.499 0.924 {79.HA3} 3.409 0.061 0.188 2359.090 12.507 0 0 1538 {134.H} 7.794 0.039 0.056 {134.N} 120.750 0.519 0.741 {134.HA} 3.340 0.063 0.090 802.446 8.324 0 0 1539 {?} 8.307 0.038 0.047 {?} 120.737 0.535 0.659 {?} 3.287 0.147 0.211 277.316 6.794 0 0 1540 {80.H} 8.638 0.038 0.068 {80.N} 120.740 0.457 0.666 {80.HA} 3.135 0.147 0.211 1382.480 9.632 0 0 1541 {?} 8.637 0.039 0.072 {?} 120.756 0.469 0.927 {?} 3.007 0.072 0.192 633.575 16.754 0 0 1542 {?} 6.956 0.034 0.084 {?} 120.596 0.510 1.162 {?} 2.997 0.170 0.256 57.029 23.128 0 0 1543 {?} 8.212 0.033 0.017 {?} 120.763 0.694 0.273 {?} 2.989 0.086 0.034 59.986 3.246 0 0 1544 {?} 7.796 0.037 0.110 {?} 120.691 0.518 1.327 {?} 2.973 0.088 0.213 303.441 38.326 0 0 1545 {90.H} 7.794 0.034 0.090 {90.N} 120.716 0.498 1.097 {89.HA} 2.791 0.138 0.197 1041.697 21.410 0 0 1546 {55.HE21} 6.954 0.036 0.069 {55.NE2} 120.647 0.519 1.115 {114.HD2} 2.669 0.105 0.151 313.616 17.245 0 0 1547 {55.HE22} 8.208 0.038 0.078 {55.NE2} 120.684 0.474 1.000 {114.HD2} 2.661 0.057 0.191 275.473 18.998 0 0 1548 {134.H} 7.794 0.038 0.078 {134.N} 120.733 0.474 1.000 {134.HB3} 2.464 0.057 0.191 971.012 18.998 0 0 1549 {55.HE22} 8.212 0.038 0.078 {55.NE2} 120.717 0.474 1.000 {55.HB2} 2.409 0.057 0.191 492.899 18.998 0 0 1550 {55.HE21} 6.953 0.037 0.076 {55.NE2} 120.704 0.508 1.139 {55.HB2} 2.409 0.076 0.163 561.573 18.990 0 0 1551 {?} 8.306 0.037 0.076 {?} 120.832 0.508 1.139 {?} 2.265 0.076 0.163 1366.843 18.990 0 0 1552 {55.HE22} 8.216 0.025 0.019 {55.NE2} 120.710 0.768 0.541 {114.HD3} 2.242 0.077 0.056 646.923 3.966 0 0 1553 {55.HE21} 6.956 0.025 0.029 {55.NE2} 120.713 0.574 0.676 {114.HD3} 2.242 0.074 0.085 619.450 6.334 0 0 1554 {?} 7.791 0.026 0.009 {?} 120.739 0.950 0.224 {?} 2.170 0.149 0.061 1314.262 2.947 0 0 1555 {55.HE22} 8.213 0.041 0.006 {55.NE2} 120.685 0.723 0.158 {55.HB3} 2.057 0.110 0.032 3025.316 2.922 0 0 1556 {55.HE21} 6.952 0.035 0.091 {55.NE2} 120.728 0.515 1.188 {55.HB3} 2.058 0.082 0.149 1847.538 22.146 0 0 1557 {150.H} 8.306 0.036 0.080 {150.N} 120.856 0.518 1.161 {149.HB2} 1.996 0.074 0.160 4706.001 21.310 0 0 1558 {?} 8.632 0.032 0.025 {?} 120.750 0.866 0.631 {?} 1.890 0.070 0.110 19.322 3.936 0 0 1559 {?} 8.307 0.034 0.043 {?} 120.762 0.570 0.902 {?} 1.816 0.117 0.195 5346.433 9.045 0 0 1560 {55.HE22} 8.211 0.030 0.037 {55.NE2} 120.703 0.530 0.659 {55.HG3} 1.802 0.066 0.086 2728.951 6.880 0 0 1561 {55.HE21} 6.953 0.034 0.032 {55.NE2} 120.737 0.694 0.673 {55.HG3} 1.800 0.063 0.133 1333.159 5.045 0 0 1562 {?} 7.794 0.035 0.070 {?} 120.764 0.535 1.292 {?} 1.738 0.067 0.096 5985.555 21.505 0 0 1563 {?} 8.639 0.035 0.070 {?} 120.729 0.535 1.292 {?} 1.698 0.067 0.096 349.910 21.505 0 0 1564 {?} 8.637 0.036 0.042 {?} 120.765 0.545 0.638 {?} 1.502 0.077 0.090 3234.860 6.285 0 0 1565 {?} 7.794 0.035 0.037 {?} 120.730 0.542 0.560 {?} 1.422 0.078 0.080 2208.209 5.397 0 0 1566 {90.H} 7.744 0.027 0.018 {90.N} 120.583 0.745 0.476 {89.HB2} 1.433 0.101 0.073 455.919 3.783 0 0 1567 {80.H} 8.638 0.029 0.037 {80.N} 120.759 0.700 0.884 {80.HG3} 1.380 0.161 0.266 1925.140 7.046 0 0 1568 {55.HE22} 8.211 0.032 0.050 {55.NE2} 120.685 0.690 1.069 {114.HB2} 1.248 0.090 0.165 2348.718 13.390 0 0 1569 {55.HE21} 6.954 0.024 0.043 {55.NE2} 120.711 1.528 2.437 {114.HB2} 1.245 0.069 0.115 2505.393 22.689 0 0 1570 {?} 8.211 0.036 0.067 {?} 120.708 1.144 1.693 {?} 1.134 0.070 0.123 1414.183 25.245 0 0 1571 {?} 6.954 0.022 0.028 {?} 120.700 0.598 0.838 {?} 1.135 0.057 0.081 1909.543 7.221 0 0 1572 {?} 8.307 0.030 0.057 {?} 120.834 0.735 1.195 {?} 1.006 0.087 0.175 2264.513 19.392 0 0 1573 {80.H} 8.637 0.027 0.019 {80.N} 120.746 0.606 0.350 {80.HG2} 0.932 0.099 0.064 238.790 3.669 0 0 1574 {?} 8.307 0.027 0.034 {?} 120.682 0.690 0.860 {?} 0.865 0.109 0.145 1955.769 7.093 0 0 1575 {?} 8.213 0.036 0.029 {?} 120.692 0.723 0.543 {?} 0.804 0.147 0.113 790.615 4.194 0 0 1576 {?} 6.954 0.023 0.014 {?} 120.722 0.880 0.594 {?} 0.799 0.147 0.211 754.709 3.639 0 0 1577 {?} 8.306 0.025 0.024 {?} 120.823 0.626 0.587 {?} 0.555 0.147 0.211 611.240 4.909 0 0 1578 {55.HE22} 8.212 0.037 0.039 {55.NE2} 120.749 0.655 0.741 {114.HB3} 0.561 0.097 0.104 202.132 5.895 0 0 1579 {55.HE21} 6.954 0.029 0.018 {55.NE2} 120.721 0.721 0.415 {114.HB3} 0.554 0.200 0.164 310.047 3.666 0 0 1580 {?} 10.339 0.027 0.031 {?} 120.455 0.678 0.798 {?} 10.342 0.147 0.211 37.826 6.247 0 0 1581 {46.H} 8.311 0.030 0.059 {46.N} 120.350 0.686 1.121 {47.H} 9.716 0.190 0.271 262.672 16.390 0 0 1582 {30.H} 9.640 0.031 0.089 {30.N} 120.354 0.711 1.683 {30.H} 9.649 0.086 0.180 3231.810 90.428 0 0 1583 {46.H} 8.315 0.033 0.015 {46.N} 120.298 0.721 0.279 {45.H} 9.140 0.075 0.036 350.188 3.231 0 0 1584 {90.H 134.H} 7.744 0.031 0.076 {90.N 134.N} 120.463 0.707 1.489 {90.H 134.H} 7.745 0.094 0.211 14969.020 48.635 0 0 1585 {30.H} 9.640 0.032 0.080 {30.N} 120.399 0.715 1.480 {31.H} 7.622 0.040 0.186 514.052 41.251 0 0 1586 {134.H} 7.744 0.031 0.040 {134.N} 120.485 0.771 1.007 {135.H} 7.558 0.153 0.208 1997.090 8.123 0 0 1587 {46.H} 8.316 0.031 0.048 {46.N} 120.350 0.728 1.075 {46.HD21} 7.537 0.094 0.155 1010.727 10.449 0 0 1588 {90.H} 7.744 0.030 0.075 {90.N} 120.459 0.701 1.235 {91.H} 7.348 0.070 0.163 4282.385 32.199 0 0 1589 {?} 7.745 0.029 0.038 {?} 120.448 0.697 0.894 {?} 7.177 0.072 0.095 890.617 7.762 0 0 1590 {90.H} 7.743 0.029 0.038 {90.N} 120.458 0.697 0.894 {88.H} 6.942 0.072 0.095 972.475 7.762 0 0 1591 {46.H} 8.312 0.024 0.031 {46.N} 120.395 1.042 0.366 {46.HD22} 6.571 0.093 0.048 708.662 3.183 0 0 1592 {?} 7.743 0.024 0.031 {?} 120.507 1.042 0.366 {?} 6.504 0.093 0.048 455.108 3.183 0 0 1593 {?} 7.743 0.024 0.031 {?} 120.440 1.042 0.366 {?} 6.233 0.093 0.048 134.455 3.183 0 0 1594 {?} 8.313 0.031 0.077 {?} 120.368 0.707 1.521 {?} 6.166 0.079 0.202 828.479 54.525 0 0 1595 {?} 7.739 0.031 0.077 {?} 120.418 0.707 1.521 {?} 6.080 0.079 0.202 296.629 54.525 0 0 1596 {?} 7.746 0.038 0.139 {?} 120.500 0.615 1.412 {?} 5.934 0.078 0.217 337.088 65.618 0 0 1597 {?} 7.739 0.037 0.092 {?} 120.528 0.630 1.243 {?} 5.538 0.083 0.119 265.093 19.489 0 0 1598 {?} 7.743 0.028 0.023 {?} 120.517 0.887 0.727 {?} 5.286 0.105 0.151 168.840 4.170 0 0 1599 {?} 7.744 0.024 0.004 {?} 120.473 0.728 0.127 {?} 5.052 0.089 0.017 266.991 2.850 0 0 1600 {?} 7.744 0.036 0.114 {?} 120.396 0.836 1.465 {?} 4.863 0.073 0.121 379.247 19.361 0 0 1601 {?} 7.743 0.037 0.052 {?} 120.449 1.169 1.670 {?} 4.677 0.061 0.107 635.537 16.992 0 0 1602 {?} 9.640 0.034 0.048 {?} 120.447 0.708 0.862 {?} 4.331 0.159 0.228 237.905 6.677 0 0 1603 {90.H} 7.744 0.015 0.033 {90.N} 120.446 0.667 0.685 {87.HA} 4.279 0.134 0.192 1005.843 5.359 0 0 1604 {30.H} 9.639 0.034 0.065 {30.N} 120.343 0.687 1.113 {30.HA} 4.084 0.111 0.271 830.984 12.131 0 0 1605 {90.H} 7.743 0.037 0.024 {90.N} 120.470 0.638 0.372 {90.HA} 4.073 0.101 0.154 732.071 3.679 0 0 1606 {30.H} 9.641 0.041 0.027 {30.N} 120.323 0.732 0.459 {29.HA} 3.809 0.105 0.151 289.030 3.822 0 0 1607 {134.H} 7.746 0.030 0.033 {134.N} 120.442 0.535 0.580 {132.HA} 3.591 0.088 0.093 28.216 5.694 0 0 1608 {?} 9.637 0.033 0.042 {?} 120.377 0.574 0.733 {?} 3.278 0.090 0.110 88.184 6.957 0 0 1609 {90.H 134.H} 7.743 0.036 0.052 {90.N 134.N} 120.486 0.565 0.834 {89.HA 134.HB2} 2.773 0.076 0.283 1054.769 8.718 0 0 1610 {?} 8.315 0.036 0.052 {?} 120.309 0.591 0.929 {?} 2.581 0.064 0.167 1003.829 8.907 0 0 1611 {?} 9.640 0.029 0.043 {?} 120.378 0.568 0.887 {?} 2.427 0.031 0.095 984.880 9.193 0 0 1612 {90.H 134.H} 7.743 0.037 0.072 {90.N 134.N} 120.478 0.615 1.166 {91.HG3 134.HB3} 2.439 0.073 0.112 1047.997 19.191 0 0 1613 {30.H} 9.639 0.037 0.072 {30.N} 120.374 0.615 1.166 {30.HG2} 2.324 0.073 0.112 1436.260 19.191 0 0 1614 {?} 7.743 0.028 0.008 {?} 120.462 0.643 0.152 {?} 2.206 0.104 0.029 3755.944 2.958 0 0 1615 {?} 8.311 0.016 0.030 {?} 120.557 0.888 0.814 {?} 2.135 0.149 0.130 3404.717 4.697 0 0 1616 {?} 7.744 0.037 0.066 {?} 120.467 0.583 0.992 {?} 2.081 0.147 0.211 1979.353 10.702 0 0 1617 {30.H} 9.640 0.041 0.057 {30.N} 120.374 0.585 0.993 {30.HB2} 2.064 0.137 0.196 3585.130 10.647 0 0 1618 {?} 7.744 0.037 0.050 {?} 120.462 0.665 0.831 {?} 1.970 0.106 0.135 5934.331 6.615 0 0 1619 {90.H} 7.744 0.038 0.109 {90.N} 120.466 0.610 1.281 {90.HB2} 1.829 0.112 0.211 7854.607 24.550 0 0 1620 {?} 9.640 0.038 0.111 {?} 120.348 0.613 1.308 {?} 1.746 0.094 0.240 453.406 41.343 0 0 1621 {?} 7.744 0.039 0.025 {?} 120.475 0.538 0.235 {?} 1.681 0.062 0.074 7390.187 3.334 0 0 1622 {90.H} 7.744 0.041 0.040 {90.N} 120.488 0.544 0.529 {90.HG} 1.561 0.065 0.063 1281.655 5.077 0 0 1623 {?} 7.743 0.028 0.032 {?} 120.445 0.558 0.629 {?} 1.154 0.076 0.084 615.648 5.973 0 0 1624 {30.H 30.H} 9.640 0.022 0.008 {30.N 30.N} 120.363 0.807 0.245 {29.HG11 29.HG13} 0.980 0.110 0.042 1454.270 3.047 0 0 1625 {?} 7.744 0.035 0.043 {?} 120.466 0.552 0.711 {?} 0.848 0.058 0.078 2378.073 7.130 0 0 1626 {90.H 90.H} 7.743 0.034 0.055 {90.N 90.N} 120.468 0.576 0.939 {90.HD21 90.HD22} 0.687 0.071 0.107 1307.792 9.909 0 0 1627 {12.H} 8.679 0.038 0.161 {12.N} 119.983 0.520 1.351 {11.H} 8.852 0.086 0.233 1259.386 62.171 0 0 1628 {12.H} 8.679 0.035 0.057 {12.N} 119.974 0.581 1.034 {13.H} 8.035 0.067 0.113 2434.807 11.636 0 0 1629 {105.H} 7.532 0.036 0.053 {105.N} 120.069 0.603 0.876 {104.H} 7.812 0.090 0.143 1089.906 8.194 0 0 1630 {105.H} 7.533 0.033 0.050 {105.N} 120.055 0.538 0.889 {105.H} 7.530 0.058 0.087 6248.865 9.807 0 0 1631 {12.H} 8.679 0.032 0.023 {12.N} 119.973 0.914 0.681 {14.H} 7.403 0.080 0.058 1278.530 3.822 0 0 1632 {?} 7.532 0.033 0.025 {?} 120.050 0.813 0.593 {?} 7.299 0.042 0.074 914.076 4.117 0 0 1633 {?} 7.533 0.031 0.049 {?} 120.044 0.592 0.900 {?} 7.035 0.066 0.094 1098.088 8.617 0 0 1634 {?} 7.449 0.031 0.056 {?} 120.046 0.596 0.982 {?} 6.810 0.101 0.144 19.599 11.135 0 0 1635 {?} 7.532 0.028 0.051 {?} 120.073 0.596 0.989 {?} 6.544 0.035 0.115 205.385 10.592 0 0 1636 {?} 8.679 0.028 0.051 {?} 119.987 0.596 0.989 {?} 6.508 0.035 0.115 824.066 10.592 0 0 1637 {?} 8.680 0.037 0.065 {?} 119.944 0.520 0.896 {?} 6.376 0.102 0.145 447.930 10.841 0 0 1638 {?} 8.678 0.029 0.059 {?} 119.990 0.694 1.129 {?} 6.204 0.129 0.174 534.277 12.366 0 0 1639 {?} 7.534 0.038 0.065 {?} 120.030 0.518 0.971 {?} 6.063 0.105 0.151 145.141 12.222 0 0 1640 {?} 8.678 0.023 0.009 {?} 119.993 0.820 0.338 {?} 6.038 0.108 0.046 176.179 3.268 0 0 1641 {?} 7.532 0.035 0.028 {?} 120.126 0.794 0.682 {?} 5.891 0.070 0.115 155.593 4.529 0 0 1642 {12.H} 8.678 0.045 0.048 {12.N} 120.021 0.512 0.555 {14.HD2} 5.835 0.098 0.105 219.714 5.685 0 0 1643 {?} 8.677 0.033 0.127 {?} 119.962 0.621 1.513 {?} 5.662 0.077 0.135 148.489 63.592 0 0 1644 {?} 8.678 0.039 0.043 {?} 120.100 0.560 0.658 {?} 5.287 0.118 0.150 230.139 6.310 0 0 1645 {?} 8.683 0.029 0.024 {?} 120.122 0.818 0.712 {?} 5.146 0.075 0.130 190.048 4.392 0 0 1646 {?} 7.533 0.030 0.034 {?} 120.022 0.615 0.711 {?} 4.859 0.066 0.165 237.595 6.122 0 0 1647 {?} 7.532 0.040 0.085 {?} 119.998 0.526 1.169 {?} 4.460 0.096 0.176 255.233 18.613 0 0 1648 {?} 7.531 0.034 0.034 {?} 120.019 0.977 0.975 {?} 4.215 0.102 0.146 470.122 5.206 0 0 1649 {12.H} 8.678 0.032 0.034 {12.N} 120.001 0.485 0.528 {13.HA} 4.092 0.157 0.165 206.169 5.730 0 0 1650 {46.H} 8.319 0.035 0.054 {46.N} 120.009 0.513 0.739 {44.HB} 4.084 0.073 0.104 24.430 8.438 0 0 1651 {105.H} 7.532 0.033 0.068 {105.N} 120.053 0.670 1.195 {105.HA} 3.990 0.101 0.271 1003.435 15.184 0 0 1652 {?} 7.533 0.028 0.018 {?} 120.059 0.797 0.416 {?} 3.724 0.156 0.109 605.782 3.516 0 0 1653 {?} 8.310 0.038 0.115 {?} 120.152 0.488 1.151 {?} 3.427 0.075 0.139 41.769 29.489 0 0 1654 {?} 7.532 0.026 0.022 {?} 120.113 1.024 0.903 {?} 3.298 0.072 0.140 77.557 4.575 0 0 1655 {12.H} 8.679 0.046 0.047 {12.N} 119.993 0.556 0.567 {12.HB2} 2.857 0.084 0.086 3789.985 5.322 0 0 1656 {105.H} 7.531 0.046 0.047 {105.N} 120.048 0.556 0.567 {108.HB2} 2.832 0.084 0.086 114.907 5.322 0 0 1657 {105.H} 7.532 0.038 0.052 {105.N} 120.041 0.613 0.925 {108.HB3} 2.493 0.058 0.072 254.266 7.981 0 0 1658 {?} 7.533 0.044 0.019 {?} 120.014 0.706 0.397 {?} 2.053 0.049 0.076 789.131 3.626 0 0 1659 {?} 7.532 0.040 0.039 {?} 120.039 0.543 0.520 {?} 1.805 0.081 0.174 698.431 4.996 0 0 1660 {?} 7.533 0.033 0.042 {?} 120.053 0.515 0.663 {?} 1.480 0.116 0.127 5460.817 7.315 0 0 1661 {?} 8.316 0.038 0.025 {?} 120.212 0.743 0.553 {?} 1.164 0.147 0.211 564.181 4.101 0 0 1662 {?} 7.533 0.021 0.006 {?} 120.058 1.115 0.354 {?} 0.821 0.105 0.151 4141.163 3.080 0 0 1663 {?} 7.532 0.041 0.034 {?} 120.035 0.799 0.621 {?} 0.525 0.147 0.211 751.125 4.157 0 0 1664 {?} 7.533 0.025 0.021 {?} 120.052 0.553 0.471 {?} 0.242 0.091 0.160 1671.844 4.538 0 0 1665 {?} 8.680 0.036 0.023 {?} 120.110 0.476 0.305 {?} 0.205 0.117 0.168 228.348 3.834 0 0 1666 {?} 7.532 0.020 0.013 {?} 120.058 0.886 0.536 {?} -0.160 0.065 0.095 327.751 3.637 0 0 1667 {143.H} 8.813 0.041 0.034 {143.N} 119.734 0.770 0.541 {141.H} 9.358 0.105 0.151 52.722 4.134 0 0 1668 {163.H} 7.674 0.029 0.027 {163.N} 119.730 0.849 0.804 {161.H} 9.254 0.134 0.192 368.411 4.870 0 0 1669 {143.H} 8.814 0.027 0.014 {143.N} 119.738 0.810 0.312 {142.H} 9.191 0.099 0.040 942.457 3.197 0 0 1670 {28.H} 8.142 0.026 0.023 {28.N} 119.754 0.484 0.404 {27.H} 8.966 0.105 0.151 669.040 4.479 0 0 1671 {143.H} 8.814 0.022 0.006 {143.N} 119.738 0.724 0.159 {144.H} 8.954 0.146 0.036 2341.779 2.931 0 0 1672 {143.H} 8.814 0.033 0.042 {143.N} 119.737 0.488 0.634 {143.H} 8.815 0.093 0.126 10280.765 7.437 0 0 1673 {12.H 50.H} 8.677 0.036 0.063 {12.N 50.N} 119.771 0.559 0.948 {12.H 50.H} 8.684 0.075 0.103 12226.495 10.664 0 0 1674 {?} 8.815 0.039 0.056 {?} 119.744 0.433 0.653 {?} 8.560 0.054 0.080 551.711 10.608 0 0 1675 {?} 8.814 0.042 0.042 {?} 119.745 0.491 0.498 {?} 8.454 0.044 0.045 505.018 5.291 0 0 1676 {163.H} 7.675 0.032 0.089 {163.N} 119.743 0.590 1.346 {162.H} 8.340 0.079 0.162 2908.758 36.704 0 0 1677 {28.H 34.H} 8.143 0.029 0.029 {28.N 34.N} 119.708 0.611 0.624 {28.H 34.H} 8.149 0.095 0.097 6579.430 5.329 0 0 1678 {28.H 34.H} 8.102 0.036 0.039 {28.N 34.N} 119.827 0.651 0.744 {28.H 34.H} 8.111 0.065 0.160 1999.763 5.886 0 0 1679 {?} 8.814 0.038 0.021 {?} 119.725 0.723 0.375 {?} 8.054 0.047 0.057 571.395 3.488 0 0 1680 {34.H} 8.142 0.038 0.080 {34.N} 119.826 0.491 1.042 {32.H} 7.935 0.136 0.202 387.733 17.933 0 0 1681 {163.H} 7.676 0.034 0.043 {163.N} 119.748 0.698 0.947 {164.H} 7.927 0.093 0.115 1537.515 7.494 0 0 1682 {?} 8.812 0.026 0.012 {?} 119.708 0.883 0.297 {?} 7.782 0.103 0.048 43.782 3.127 0 0 1683 {163.H} 7.676 0.034 0.053 {163.N} 119.755 0.655 0.991 {163.H} 7.669 0.101 0.150 15961.195 9.808 0 0 1684 {?} 8.679 0.037 0.065 {?} 119.872 0.493 0.956 {?} 7.649 0.108 0.231 270.309 14.017 0 0 1685 {34.H} 8.144 0.030 0.009 {34.N} 119.683 0.909 0.121 {31.H} 7.625 0.119 0.015 143.143 2.777 0 0 1686 {?} 8.814 0.039 0.021 {?} 119.748 0.741 0.199 {?} 7.539 0.057 0.046 15.841 3.005 0 0 1687 {?} 7.675 0.038 0.083 {?} 119.759 0.509 1.030 {?} 7.448 0.103 0.156 1196.772 15.124 0 0 1688 {?} 8.812 0.038 0.056 {?} 119.908 0.530 0.724 {?} 7.420 0.147 0.211 68.730 7.829 0 0 1689 {?} 7.676 0.032 0.050 {?} 119.797 0.631 0.990 {?} 7.324 0.147 0.211 473.073 9.085 0 0 1690 {?} 8.809 0.036 0.050 {?} 119.758 0.466 0.637 {?} 7.244 0.134 0.192 59.253 8.230 0 0 1691 {?} 7.676 0.035 0.070 {?} 119.727 0.607 1.198 {?} 7.181 0.135 0.238 558.295 18.500 0 0 1692 {?} 7.675 0.041 0.093 {?} 119.781 0.514 1.118 {?} 7.048 0.122 0.383 391.485 16.383 0 0 1693 {?} 8.815 0.028 0.042 {?} 119.814 0.537 0.814 {?} 6.877 0.190 0.271 92.702 9.092 0 0 1694 {?} 7.675 0.037 0.074 {?} 119.736 0.533 1.125 {?} 6.798 0.109 0.269 392.050 15.964 0 0 1695 {?} 8.679 0.037 0.075 {?} 119.784 0.520 1.039 {?} 6.704 0.122 0.271 324.462 14.738 0 0 1696 {?} 8.814 0.038 0.041 {?} 119.723 0.512 0.567 {?} 6.595 0.147 0.211 57.924 5.837 0 0 1697 {?} 7.677 0.032 0.074 {?} 119.724 0.561 1.201 {?} 6.548 0.119 0.271 606.070 19.821 0 0 1698 {?} 7.677 0.037 0.075 {?} 119.722 0.545 1.133 {?} 6.261 0.103 0.148 458.963 14.521 0 0 1699 {?} 8.814 0.033 0.095 {?} 119.742 0.605 1.339 {?} 6.136 0.062 0.184 566.585 31.995 0 0 1700 {?} 7.675 0.039 0.043 {?} 119.845 0.541 0.624 {?} 6.021 0.076 0.178 196.623 6.162 0 0 1701 {?} 7.675 0.031 0.099 {?} 119.843 0.613 1.322 {?} 5.834 0.105 0.151 245.900 30.566 0 0 1702 {?} 8.817 0.030 0.039 {?} 119.770 0.905 1.176 {?} 5.807 0.082 0.106 30.468 7.243 0 0 1703 {?} 8.144 0.037 0.114 {?} 119.741 0.540 1.368 {?} 5.697 0.127 0.181 15.823 62.879 0 0 1704 {?} 7.678 0.032 0.125 {?} 119.714 0.600 1.521 {?} 5.672 0.084 0.121 157.481 59.684 0 0 1705 {?} 8.814 0.042 0.052 {?} 119.735 0.555 0.654 {?} 5.437 0.070 0.178 331.609 6.338 0 0 1706 {?} 8.677 0.038 0.111 {?} 119.819 0.512 1.285 {?} 5.419 0.056 0.229 241.010 46.371 0 0 1707 {?} 7.674 0.037 0.048 {?} 119.716 0.526 0.800 {?} 5.409 0.114 0.204 283.225 8.964 0 0 1708 {?} 8.814 0.037 0.080 {?} 119.721 0.603 1.291 {?} 5.314 0.082 0.151 227.054 22.606 0 0 1709 {?} 7.682 0.038 0.113 {?} 119.878 0.516 1.261 {?} 5.249 0.072 0.147 138.404 36.190 0 0 1710 {?} 8.813 0.036 0.071 {?} 119.727 0.536 1.165 {?} 5.176 0.075 0.127 241.694 18.714 0 0 1711 {?} 8.815 0.023 0.002 {?} 119.780 0.691 0.065 {?} 5.042 0.085 0.010 261.622 2.736 0 0 1712 {?} 7.533 0.038 0.075 {?} 119.765 0.532 1.166 {?} 4.987 0.063 0.120 102.771 19.049 0 0 1713 {?} 8.674 0.028 0.050 {?} 119.673 0.573 1.088 {?} 4.927 0.076 0.116 498.168 13.595 0 0 1714 {?} 8.814 0.029 0.027 {?} 119.729 0.429 0.385 {?} 4.910 0.072 0.066 328.649 4.734 0 0 1715 {163.H} 7.673 0.025 0.031 {163.N} 119.786 0.564 0.725 {160.HA} 4.876 0.112 0.141 464.183 7.024 0 0 1716 {?} 8.678 0.034 0.012 {?} 119.805 0.676 0.278 {?} 4.788 0.102 0.054 608.882 3.283 0 0 1717 {?} 8.814 0.035 0.132 {?} 119.737 0.554 1.980 {?} 4.672 0.069 0.166 445.036 75.153 0 0 1718 {50.H} 8.678 0.030 0.102 {50.N} 119.876 0.547 1.939 {83.HA} 4.679 0.063 0.239 527.448 160.782 0 0 1719 {?} 7.677 0.038 0.074 {?} 119.752 0.545 1.079 {?} 4.617 0.093 0.155 780.048 14.706 0 0 1720 {163.H} 7.677 0.031 0.017 {163.N} 119.754 0.686 0.286 {162.HA} 4.500 0.093 0.045 609.151 3.294 0 0 1721 {143.H} 8.815 0.038 0.046 {143.N} 119.746 0.603 0.722 {141.HB2} 4.379 0.103 0.147 999.676 6.276 0 0 1722 {163.H} 7.676 0.034 0.049 {163.N} 119.749 0.510 0.827 {163.HA} 4.192 0.102 0.172 1904.506 10.338 0 0 1723 {143.H} 8.815 0.041 0.133 {143.N} 119.733 0.887 2.162 {143.HA} 4.169 0.066 0.094 1099.003 90.181 0 0 1724 {12.H 50.H} 8.677 0.031 0.054 {12.N 50.N} 119.829 0.555 1.096 {8.HA 82.HB2} 3.970 0.079 0.140 726.946 15.323 0 0 1725 {163.H} 7.676 0.024 0.020 {163.N} 119.735 0.629 0.527 {164.HA} 3.887 0.077 0.067 199.679 4.489 0 0 1726 {12.H} 8.678 0.038 0.036 {12.N} 119.919 0.592 0.549 {11.HB2} 3.768 0.094 0.089 1231.496 4.860 0 0 1727 {?} 8.678 0.026 0.018 {?} 119.883 0.768 0.508 {?} 3.441 0.127 0.094 3182.119 3.870 0 0 1728 {163.H} 7.672 0.046 0.038 {163.N} 119.831 0.581 0.429 {161.HB2} 3.324 0.084 0.057 44.510 4.132 0 0 1729 {28.H} 8.141 0.027 0.026 {28.N} 119.775 0.498 0.477 {27.HB2} 3.255 0.095 0.092 1218.626 5.001 0 0 1730 {?} 8.677 0.030 0.024 {?} 119.666 0.450 0.314 {?} 3.163 0.086 0.059 1949.617 4.002 0 0 1731 {28.H} 8.141 0.018 0.002 {28.N} 119.768 0.811 0.084 {27.HB3} 3.078 0.040 0.013 450.225 2.734 0 0 1732 {163.H} 7.674 0.021 0.007 {163.N} 119.748 0.886 0.404 {160.HB2} 2.973 0.053 0.051 432.587 3.160 0 0 1733 {?} 8.814 0.033 0.019 {?} 119.724 0.544 0.285 {?} 2.803 0.041 0.068 1009.027 3.533 0 0 1734 {143.H} 8.815 0.028 0.034 {143.N} 119.735 0.758 0.984 {142.HB3} 2.560 0.125 0.175 921.722 6.762 0 0 1735 {163.H} 7.676 0.028 0.021 {163.N} 119.772 0.562 0.392 {164.HG2} 2.546 0.099 0.076 508.476 4.005 0 0 1736 {?} 7.675 0.030 0.022 {?} 119.738 0.777 0.460 {?} 2.341 0.135 0.090 733.185 3.673 0 0 1737 {143.H} 8.815 0.027 0.020 {143.N} 119.746 0.811 0.536 {142.HB2} 2.113 0.097 0.067 3628.586 3.973 0 0 1738 {?} 7.675 0.040 0.015 {?} 119.759 0.806 0.252 {?} 2.097 0.048 0.035 986.380 3.054 0 0 1739 {?} 8.677 0.027 0.028 {?} 119.788 0.521 0.546 {?} 1.890 0.105 0.151 885.547 5.473 0 0 1740 {?} 7.676 0.026 0.017 {?} 119.768 0.881 0.598 {?} 1.867 0.134 0.091 1302.068 3.788 0 0 1741 {?} 8.142 0.027 0.023 {?} 119.724 0.554 0.476 {?} 1.742 0.099 0.087 3029.150 4.571 0 0 1742 {?} 8.814 0.031 0.073 {?} 119.689 0.532 1.290 {?} 1.685 0.103 0.186 400.941 46.355 0 0 1743 {?} 7.676 0.030 0.076 {?} 119.747 0.551 1.359 {?} 1.585 0.087 0.211 8589.381 52.536 0 0 1744 {143.H 143.H} 8.814 0.036 0.068 {143.N 143.N} 119.735 0.518 1.142 {143.HB1 143.HB3} 1.453 0.105 0.151 5832.951 18.893 0 0 1745 {163.H 163.H} 7.676 0.035 0.077 {163.N 163.N} 119.745 0.525 1.192 {163.HB1 163.HB2} 1.225 0.147 0.211 6204.500 24.824 0 0 1746 {?} 8.678 0.032 0.060 {?} 119.880 0.553 1.232 {?} 1.188 0.110 0.228 1324.431 20.091 0 0 1747 {?} 8.677 0.033 0.037 {?} 119.755 0.524 0.613 {?} 1.040 0.105 0.151 611.508 6.269 0 0 1748 {143.H 143.H} 8.815 0.031 0.067 {143.N 143.N} 119.771 0.535 1.235 {145.HD21 145.HD23} 0.952 0.147 0.280 103.332 29.594 0 0 1749 {28.H} 8.143 0.037 0.094 {28.N} 119.729 0.495 1.147 {26.HG13} 0.908 0.143 0.244 1846.640 27.011 0 0 1750 {143.H} 8.813 0.031 0.056 {143.N} 119.803 0.562 1.202 {140.HG13} 0.778 0.102 0.146 41.422 18.056 0 0 1751 {130.H} 9.673 0.038 0.087 {130.N} 119.445 0.535 1.252 {130.H} 9.683 0.060 0.160 3644.011 29.593 0 0 1752 {50.H} 8.674 0.032 0.079 {50.N} 119.447 0.547 1.511 {84.H} 9.473 0.102 0.271 1337.953 71.425 0 0 1753 {130.H} 9.674 0.036 0.119 {130.N} 119.464 0.551 1.393 {129.H} 9.195 0.159 0.227 193.732 63.490 0 0 1754 {50.H} 8.675 0.032 0.059 {50.N} 119.400 0.529 1.005 {51.H} 9.122 0.071 0.107 194.602 12.852 0 0 1755 {50.H} 8.677 0.028 0.033 {50.N} 119.384 0.673 0.790 {57.H} 8.984 0.065 0.074 100.065 6.434 0 0 1756 {34.H} 8.152 0.017 0.016 {34.N} 119.463 0.504 0.461 {33.H} 7.826 0.066 0.063 502.394 4.810 0 0 1757 {?} 9.672 0.027 0.026 {?} 119.506 0.702 0.672 {?} 7.540 0.085 0.082 215.539 4.962 0 0 1758 {34.H} 8.153 0.043 0.236 {34.N} 119.467 0.602 2.103 {36.H} 7.466 0.085 0.153 363.010 164.556 0 0 1759 {?} 9.674 0.043 0.236 {?} 119.427 0.602 2.103 {?} 7.426 0.085 0.153 138.453 164.556 0 0 1760 {34.H} 8.149 0.038 0.081 {34.N} 119.553 0.652 1.151 {35.H} 7.332 0.105 0.151 1058.870 15.388 0 0 1761 {?} 8.672 0.038 0.058 {?} 119.570 0.610 1.037 {?} 7.125 0.147 0.211 264.397 10.735 0 0 1762 {130.H} 9.672 0.028 0.022 {130.N} 119.430 0.638 0.436 {129.HD1} 7.064 0.065 0.102 1202.522 3.960 0 0 1763 {?} 9.672 0.042 0.079 {?} 119.475 0.541 1.044 {?} 6.922 0.049 0.177 1156.935 13.367 0 0 1764 {?} 9.673 0.047 0.078 {?} 119.435 0.533 1.017 {?} 6.550 0.045 0.157 237.322 13.790 0 0 1765 {130.H} 9.672 0.035 0.040 {130.N} 119.501 0.866 0.927 {102.H} 5.907 0.025 0.061 124.357 5.717 0 0 1766 {?} 9.672 0.035 0.031 {?} 119.448 0.646 0.532 {?} 5.306 0.106 0.093 393.240 4.432 0 0 1767 {?} 9.674 0.036 0.063 {?} 119.505 0.701 1.182 {?} 5.072 0.129 0.224 172.426 11.775 0 0 1768 {50.H} 8.675 0.037 0.052 {50.N} 119.439 0.661 1.019 {81.HA} 4.411 0.180 0.222 247.235 9.346 0 0 1769 {?} 8.149 0.018 0.012 {?} 119.597 0.838 0.585 {?} 4.358 0.062 0.093 674.362 4.019 0 0 1770 {?} 9.672 0.035 0.052 {?} 119.442 0.742 1.116 {?} 4.244 0.101 0.155 151.729 9.526 0 0 1771 {?} 9.672 0.028 0.017 {?} 119.425 0.855 0.500 {?} 4.123 0.109 0.058 532.491 3.431 0 0 1772 {34.H} 8.150 0.031 0.011 {34.N} 119.548 0.976 0.463 {34.HA} 4.119 0.131 0.055 1070.930 3.243 0 0 1773 {?} 9.672 0.036 0.061 {?} 119.443 0.539 1.054 {?} 3.551 0.070 0.112 999.024 13.465 0 0 1774 {?} 9.673 0.024 0.006 {?} 119.388 0.943 0.219 {?} 3.333 0.088 0.069 602.859 2.906 0 0 1775 {130.H} 9.672 0.033 0.066 {130.N} 119.443 0.642 1.195 {129.HB2} 3.130 0.071 0.137 771.374 17.971 0 0 1776 {?} 9.673 0.028 0.006 {?} 119.429 1.171 0.430 {?} 2.740 0.061 0.039 741.240 2.971 0 0 1777 {?} 8.671 0.033 0.084 {?} 119.330 0.700 1.231 {?} 2.613 0.074 0.127 104.911 28.904 0 0 1778 {34.H} 8.150 0.021 0.006 {34.N} 119.525 0.864 0.223 {34.HG2} 2.345 0.105 0.151 1667.627 2.948 0 0 1779 {34.H} 8.148 0.045 0.082 {34.N} 119.601 0.571 1.132 {34.HG3} 2.218 0.058 0.158 3162.440 16.713 0 0 1780 {?} 8.672 0.031 0.017 {?} 119.429 0.709 0.264 {?} 2.191 0.153 0.067 202.431 3.199 0 0 1781 {34.H} 8.151 0.043 0.047 {34.N} 119.464 0.894 1.000 {34.HB2} 2.045 0.061 0.135 3162.140 6.091 0 0 1782 {130.H} 9.671 0.045 0.067 {130.N} 119.459 0.545 0.887 {129.HB3} 1.971 0.190 0.271 1261.063 10.158 0 0 1783 {50.H} 8.673 0.045 0.069 {50.N} 119.469 0.831 1.192 {49.HB3} 1.650 0.105 0.151 4149.324 10.465 0 0 1784 {34.H} 8.154 0.045 0.064 {34.N} 119.460 0.548 0.910 {33.HB2} 1.492 0.172 0.246 251.614 9.316 0 0 1785 {?} 9.673 0.037 0.072 {?} 119.435 0.612 1.157 {?} 1.443 0.045 0.127 491.589 13.907 0 0 1786 {50.H} 8.672 0.035 0.076 {50.N} 119.443 0.613 1.140 {49.HB2} 1.413 0.130 0.172 1546.834 18.341 0 0 1787 {50.H} 8.673 0.033 0.042 {50.N} 119.439 0.644 0.868 {50.HB3} 1.274 0.066 0.077 974.460 7.237 0 0 1788 {?} 9.671 0.025 0.007 {?} 119.424 0.910 0.192 {?} 1.129 0.208 0.082 163.477 2.883 0 0 1789 {?} 9.673 0.040 0.061 {?} 119.481 0.573 0.930 {?} 0.841 0.190 0.271 234.092 8.339 0 0 1790 {?} 8.672 0.048 0.009 {?} 119.447 0.961 0.179 {?} 0.743 0.091 0.068 1020.709 2.818 0 0 1791 {?} 8.673 0.040 0.068 {?} 119.446 0.619 1.081 {?} 0.621 0.163 0.211 1066.131 13.091 0 0 1792 {?} 9.675 0.043 0.037 {?} 119.423 0.656 0.566 {?} 0.567 0.190 0.271 89.995 4.583 0 0 1793 {?} 8.673 0.037 0.069 {?} 119.446 0.494 1.063 {?} 0.395 0.102 0.165 1763.476 17.617 0 0 1794 {121.H} 7.207 0.039 0.087 {121.N} 119.032 0.775 1.395 {119.H} 9.581 0.088 0.167 185.706 21.465 0 0 1795 {23.H} 7.945 0.040 0.082 {23.N} 119.118 0.566 1.118 {137.H} 9.152 0.104 0.281 319.523 15.422 0 0 1796 {121.H} 7.206 0.037 0.076 {121.N} 119.128 0.724 1.208 {62.H} 8.927 0.111 0.229 341.761 19.559 0 0 1797 {121.H} 7.205 0.034 0.042 {121.N} 119.096 0.692 0.853 {122.H} 8.592 0.147 0.211 1924.246 6.288 0 0 1798 {23.H} 7.945 0.043 0.055 {23.N} 119.132 0.715 0.949 {22.H} 8.558 0.065 0.211 244.316 8.217 0 0 1799 {121.H} 7.205 0.041 0.069 {121.N} 119.093 0.569 1.023 {120.H} 8.362 0.232 0.331 1476.815 12.006 0 0 1800 {100.H} 8.004 0.054 0.067 {100.N} 119.051 0.703 0.920 {99.H} 8.231 0.105 0.151 1180.725 7.289 0 0 1801 {121.H} 7.207 0.043 0.060 {121.N} 119.089 0.557 0.977 {118.H} 8.178 0.105 0.151 438.573 11.338 0 0 1802 {?} 7.205 0.042 0.104 {?} 119.153 0.549 1.271 {?} 8.059 0.196 0.280 41.234 26.050 0 0 1803 {121.H} 7.205 0.028 0.021 {121.N} 119.085 1.077 0.836 {121.H} 7.216 0.090 0.071 4922.421 4.095 0 0 1804 {?} 7.205 0.029 0.043 {?} 119.107 0.561 0.833 {?} 7.011 0.086 0.121 489.479 8.838 0 0 1805 {?} 8.005 0.040 0.138 {?} 119.029 0.633 1.615 {?} 6.906 0.105 0.403 387.255 65.088 0 0 1806 {?} 7.210 0.040 0.152 {?} 119.194 0.798 2.406 {?} 6.134 0.129 0.211 78.875 39.755 0 0 1807 {?} 7.390 0.035 0.097 {?} 119.120 0.644 1.339 {?} 6.102 0.156 0.271 22.171 36.711 0 0 1808 {100.H} 8.004 0.037 0.102 {100.N} 119.038 0.724 1.308 {101.H} 6.064 0.105 0.151 696.443 27.179 0 0 1809 {?} 7.202 0.044 0.095 {?} 119.155 0.537 1.242 {?} 4.820 0.105 0.151 321.954 29.341 0 0 1810 {?} 7.208 0.043 0.068 {?} 119.125 0.639 1.062 {?} 4.572 0.127 0.245 536.713 11.868 0 0 1811 {121.H} 7.205 0.035 0.082 {121.N} 119.106 0.722 1.207 {120.HA} 4.316 0.079 0.159 879.131 19.837 0 0 1812 {72.H 72.H} 7.389 0.035 0.053 {72.N 72.N} 119.118 0.539 1.078 {70.HA 73.HA} 4.292 0.073 0.106 49.592 12.301 0 0 1813 {?} 7.205 0.027 0.030 {?} 119.082 0.663 0.767 {?} 3.771 0.050 0.057 180.987 5.970 0 0 1814 {?} 8.003 0.036 0.093 {?} 119.067 0.678 1.216 {?} 3.742 0.064 0.150 502.574 27.054 0 0 1815 {23.H} 7.943 0.027 0.025 {23.N} 119.046 0.608 0.517 {23.HB2} 3.175 0.064 0.054 1182.730 4.539 0 0 1816 {121.H} 7.205 0.045 0.130 {121.N} 119.065 0.652 1.672 {118.HB3} 3.178 0.085 0.185 1143.384 37.705 0 0 1817 {?} 7.998 0.046 0.047 {?} 119.133 0.658 0.683 {?} 2.753 0.120 0.124 152.575 5.425 0 0 1818 {?} 7.943 0.043 0.139 {?} 119.026 0.621 1.718 {?} 2.521 0.089 0.233 1485.300 68.262 0 0 1819 {?} 7.207 0.043 0.139 {?} 119.006 0.621 1.718 {?} 2.487 0.089 0.233 182.365 68.262 0 0 1820 {?} 8.675 0.049 0.108 {?} 119.241 0.589 1.282 {?} 2.366 0.066 0.131 20.122 21.234 0 0 1821 {?} 7.205 0.038 0.056 {?} 119.074 0.731 0.987 {?} 2.321 0.107 0.149 1384.304 8.012 0 0 1822 {100.H} 8.004 0.028 0.052 {100.N} 119.039 0.373 1.317 {46.HB3} 2.161 0.055 0.096 3887.225 15.867 0 0 1823 {?} 7.205 0.052 0.030 {?} 119.042 0.971 0.350 {?} 2.031 0.105 0.048 795.776 3.082 0 0 1824 {?} 7.204 0.032 0.024 {?} 119.045 1.008 0.796 {?} 1.855 0.169 0.126 1124.174 4.021 0 0 1825 {121.H} 7.205 0.031 0.056 {121.N} 119.080 0.504 0.814 {121.HB3} 1.553 0.071 0.103 6654.968 9.823 0 0 1826 {?} 7.943 0.038 0.051 {?} 119.001 0.566 0.800 {?} 1.257 0.085 0.108 11634.406 7.722 0 0 1827 {100.H} 8.004 0.045 0.112 {100.N} 119.037 0.564 1.144 {100.HG12} 1.168 0.084 0.176 7312.629 21.334 0 0 1828 {121.H} 7.205 0.028 0.022 {121.N} 119.072 1.230 1.017 {61.HB2} 1.174 0.196 0.158 327.864 4.253 0 0 1829 {?} 7.206 0.050 0.059 {?} 119.086 0.638 0.821 {?} 0.882 0.085 0.103 4020.457 6.724 0 0 1830 {?} 8.004 0.029 0.023 {?} 119.043 0.953 0.711 {?} 0.848 0.136 0.102 2412.923 4.172 0 0 1831 {110.H} 8.842 0.022 0.006 {110.N} 118.875 0.944 0.284 {112.H} 10.335 0.107 0.028 210.732 2.944 0 0 1832 {?} 8.840 0.041 0.040 {?} 118.953 0.702 0.683 {?} 9.906 0.076 0.164 40.583 5.082 0 0 1833 {137.H} 9.148 0.038 0.021 {137.N} 118.920 0.556 0.189 {21.H} 9.310 0.056 0.062 68.955 3.141 0 0 1834 {136.H} 7.304 0.030 0.022 {136.N} 118.688 0.616 0.440 {137.H} 9.159 0.104 0.151 439.365 4.059 0 0 1835 {45.H 129.H 137.H} 9.156 0.041 0.035 {45.N 129.N 137.N} 118.847 0.683 0.496 {45.H 129.H 137.H} 9.150 0.057 0.099 12470.589 4.093 0 0 1836 {?} 7.201 0.042 0.070 {?} 118.962 0.664 0.981 {?} 9.109 0.066 0.093 49.610 10.259 0 0 1837 {?} 7.938 0.020 0.006 {?} 118.871 0.507 0.168 {?} 9.020 0.111 0.047 305.613 3.125 0 0 1838 {?} 9.155 0.035 0.040 {?} 118.829 0.524 0.626 {?} 8.923 0.105 0.151 1306.945 6.487 0 0 1839 {11.H 110.H} 8.846 0.043 0.084 {11.N 110.N} 118.703 0.583 1.117 {11.H 110.H} 8.846 0.106 0.193 15706.407 15.126 0 0 1840 {?} 9.160 0.038 0.125 {?} 118.869 0.622 1.359 {?} 8.787 0.094 0.140 402.295 40.806 0 0 1841 {?} 7.937 0.045 0.086 {?} 118.845 0.630 1.119 {?} 8.702 0.140 0.186 2577.826 13.300 0 0 1842 {?} 9.154 0.034 0.039 {?} 118.836 0.825 0.926 {?} 8.637 0.097 0.108 1494.477 6.081 0 0 1843 {?} 8.851 0.051 0.070 {?} 118.791 0.753 0.945 {?} 8.508 0.112 0.148 15.286 7.325 0 0 1844 {?} 9.154 0.040 0.086 {?} 118.842 0.636 1.315 {?} 8.347 0.189 0.265 540.816 26.574 0 0 1845 {?} 9.154 0.047 0.104 {?} 118.834 0.732 1.189 {?} 8.231 0.164 0.237 848.066 13.724 0 0 1846 {110.H} 8.842 0.041 0.095 {110.N} 118.822 0.752 1.334 {109.H} 8.242 0.105 0.151 1176.692 23.994 0 0 1847 {72.H 72.H} 7.388 0.038 0.087 {72.N 72.N} 118.900 0.639 1.270 {70.H 73.H} 8.228 0.102 0.146 564.504 21.499 0 0 1848 {5.H 100.H} 8.000 0.046 0.132 {5.N 100.N} 118.973 0.778 1.383 {5.H 100.H} 8.003 0.089 0.182 7635.392 18.467 0 0 1849 {137.H} 9.156 0.042 0.104 {137.N} 118.867 0.700 1.363 {23.H} 7.942 0.110 0.313 700.220 27.842 0 0 1850 {23.H} 7.938 0.035 0.062 {23.N} 118.867 0.500 0.973 {23.H} 7.936 0.071 0.110 41378.527 14.792 0 0 1851 {?} 7.306 0.030 0.039 {?} 118.752 0.580 0.674 {?} 7.944 0.077 0.088 526.543 6.220 0 0 1852 {110.H} 8.846 0.030 0.039 {110.N} 118.766 0.580 0.674 {111.H} 7.898 0.077 0.088 2815.384 6.220 0 0 1853 {136.H} 7.304 0.036 0.026 {136.N} 118.699 0.952 0.645 {134.H} 7.788 0.074 0.041 554.860 3.556 0 0 1854 {136.H} 7.355 0.027 0.035 {136.N} 118.838 0.758 0.858 {134.H} 7.744 0.075 0.090 39.705 6.186 0 0 1855 {?} 7.938 0.037 0.101 {?} 118.857 0.740 1.587 {?} 7.702 0.096 0.395 4037.738 44.077 0 0 1856 {?} 8.849 0.039 0.039 {?} 118.772 0.774 0.770 {?} 7.609 0.079 0.078 397.853 5.186 0 0 1857 {5.H} 8.001 0.029 0.023 {5.N} 118.981 0.597 0.474 {4.HE} 7.608 0.085 0.063 225.343 4.323 0 0 1858 {?} 7.939 0.040 0.072 {?} 118.888 0.770 1.197 {?} 7.577 0.090 0.166 3103.380 14.341 0 0 1859 {38.H 136.H} 7.305 0.033 0.020 {38.N 136.N} 118.715 0.873 0.430 {39.H 135.H} 7.573 0.165 0.235 5249.350 3.363 0 0 1860 {?} 9.154 0.043 0.034 {?} 118.828 0.885 0.686 {?} 7.522 0.064 0.124 1430.598 4.198 0 0 1861 {5.H} 7.992 0.033 0.023 {5.N} 118.812 0.866 0.687 {6.H} 7.439 0.147 0.211 1900.560 4.215 0 0 1862 {5.H} 7.938 0.034 0.019 {5.N} 118.889 1.038 0.619 {6.H} 7.448 0.147 0.211 2554.899 3.613 0 0 1863 {72.H} 7.385 0.033 0.035 {72.N} 118.863 0.656 0.719 {72.H} 7.393 0.105 0.151 9111.100 5.676 0 0 1864 {38.H 72.H} 7.354 0.034 0.069 {38.N 72.N} 118.828 0.663 1.174 {38.H 72.H} 7.367 0.099 0.133 15910.300 17.645 0 0 1865 {?} 7.206 0.018 0.021 {?} 118.958 0.491 0.126 {?} 7.355 0.159 0.043 2851.464 2.991 0 0 1866 {?} 9.157 0.054 0.015 {?} 118.849 0.734 0.151 {?} 7.313 0.054 0.011 1696.300 2.904 0 0 1867 {?} 7.940 0.036 0.055 {?} 118.927 0.774 1.100 {?} 7.315 0.116 0.196 2658.693 10.253 0 0 1868 {38.H 136.H} 7.305 0.035 0.088 {38.N 136.N} 118.720 0.680 1.282 {38.H 136.H} 7.316 0.062 0.184 10550.400 24.919 0 0 1869 {?} 7.938 0.036 0.086 {?} 118.858 0.704 1.287 {?} 7.196 0.105 0.151 1659.416 24.242 0 0 1870 {?} 7.990 0.035 0.060 {?} 118.879 0.753 1.166 {?} 7.085 0.099 0.141 375.653 12.799 0 0 1871 {?} 7.937 0.036 0.072 {?} 118.880 0.781 1.330 {?} 7.080 0.105 0.151 791.987 17.764 0 0 1872 {72.H} 7.388 0.042 0.092 {72.N} 118.885 0.751 1.296 {71.H} 7.081 0.105 0.151 5737.742 20.692 0 0 1873 {?} 7.305 0.034 0.092 {?} 118.735 0.729 1.322 {?} 7.078 0.102 0.175 891.508 26.876 0 0 1874 {129.H} 9.154 0.034 0.092 {129.N} 118.815 0.729 1.322 {129.HD1} 7.058 0.102 0.175 876.170 26.876 0 0 1875 {?} 7.937 0.034 0.092 {?} 118.862 0.729 1.322 {?} 6.937 0.102 0.175 735.041 26.876 0 0 1876 {?} 7.936 0.041 0.053 {?} 118.852 0.734 0.927 {?} 6.816 0.069 0.085 643.393 7.427 0 0 1877 {?} 7.349 0.035 0.063 {?} 118.728 0.725 1.141 {?} 6.824 0.071 0.106 287.855 14.311 0 0 1878 {23.H} 7.993 0.035 0.163 {23.N} 118.905 0.706 1.805 {23.HD2} 6.729 0.081 0.115 67.563 102.139 0 0 1879 {?} 7.895 0.038 0.151 {?} 118.713 0.733 1.843 {?} 6.638 0.094 0.134 154.921 65.287 0 0 1880 {?} 9.156 0.030 0.020 {?} 118.857 0.807 0.448 {?} 6.611 0.134 0.192 1470.774 3.445 0 0 1881 {?} 7.941 0.039 0.054 {?} 118.921 0.666 0.905 {?} 6.631 0.090 0.119 2736.039 7.508 0 0 1882 {?} 7.305 0.024 0.030 {?} 118.713 0.663 0.804 {?} 6.598 0.060 0.078 508.554 6.793 0 0 1883 {100.H} 8.000 0.039 0.051 {100.N} 118.988 0.766 0.932 {46.HD22} 6.555 0.104 0.148 146.645 6.670 0 0 1884 {?} 7.385 0.030 0.038 {?} 118.831 0.726 0.869 {?} 6.567 0.041 0.111 268.299 6.755 0 0 1885 {72.H} 7.353 0.038 0.093 {72.N} 118.768 0.682 1.176 {74.HD2} 6.567 0.082 0.205 195.825 20.405 0 0 1886 {?} 7.349 0.038 0.093 {?} 118.849 0.682 1.176 {?} 6.435 0.082 0.205 163.982 20.405 0 0 1887 {?} 9.156 0.041 0.056 {?} 118.896 0.691 0.976 {?} 6.358 0.137 0.198 184.328 7.805 0 0 1888 {?} 7.392 0.039 0.020 {?} 118.875 0.773 0.249 {?} 6.290 0.078 0.026 205.454 3.071 0 0 1889 {?} 7.303 0.032 0.034 {?} 118.793 0.688 0.754 {?} 6.301 0.066 0.072 158.742 5.719 0 0 1890 {?} 9.156 0.040 0.104 {?} 118.801 0.685 1.215 {?} 6.166 0.085 0.153 224.598 30.574 0 0 1891 {100.H} 7.937 0.038 0.063 {100.N} 118.884 0.686 1.040 {101.H} 6.048 0.064 0.094 1654.414 11.331 0 0 1892 {?} 8.849 0.036 0.043 {?} 118.734 0.696 0.841 {?} 5.927 0.068 0.078 736.419 6.473 0 0 1893 {?} 7.395 0.030 0.016 {?} 118.851 0.930 0.574 {?} 5.817 0.076 0.093 57.446 3.423 0 0 1894 {?} 7.995 0.028 0.031 {?} 118.944 0.695 0.783 {?} 5.783 0.041 0.098 58.419 6.056 0 0 1895 {?} 7.308 0.033 0.019 {?} 118.710 0.828 0.595 {?} 5.785 0.232 0.126 100.227 3.675 0 0 1896 {?} 7.937 0.043 0.034 {?} 118.870 0.795 0.615 {?} 5.747 0.105 0.151 2208.968 4.334 0 0 1897 {?} 7.382 0.032 0.018 {?} 118.781 0.855 0.278 {?} 5.699 0.211 0.301 105.174 3.064 0 0 1898 {?} 7.357 0.029 0.023 {?} 118.801 0.942 0.765 {?} 5.517 0.140 0.225 148.341 4.089 0 0 1899 {?} 8.000 0.039 0.017 {?} 118.958 0.843 0.301 {?} 5.494 0.172 0.246 31.515 3.083 0 0 1900 {?} 9.157 0.029 0.016 {?} 118.774 0.844 0.359 {?} 5.359 0.047 0.049 358.458 3.238 0 0 1901 {?} 7.938 0.032 0.024 {?} 118.862 0.882 0.634 {?} 5.369 0.224 0.149 2324.726 3.850 0 0 1902 {?} 7.307 0.030 0.017 {?} 118.716 0.979 0.625 {?} 5.283 0.147 0.211 244.896 3.594 0 0 1903 {?} 7.354 0.034 0.029 {?} 118.862 0.900 0.714 {?} 5.256 0.147 0.211 487.091 4.012 0 0 1904 {?} 7.940 0.039 0.099 {?} 118.864 0.678 1.219 {?} 5.209 0.104 0.164 1142.190 27.378 0 0 1905 {?} 7.391 0.030 0.026 {?} 118.719 0.701 0.614 {?} 5.169 0.145 0.126 461.166 4.644 0 0 1906 {?} 7.349 0.037 0.006 {?} 118.742 0.774 0.169 {?} 5.150 0.073 0.039 117.913 2.920 0 0 1907 {?} 9.155 0.037 0.022 {?} 118.826 0.812 0.534 {?} 5.029 0.116 0.133 904.189 3.658 0 0 1908 {?} 7.387 0.038 0.038 {?} 118.899 0.720 0.721 {?} 5.047 0.141 0.141 121.841 5.220 0 0 1909 {?} 8.849 0.037 0.098 {?} 118.749 0.716 1.238 {?} 5.016 0.092 0.183 450.768 25.097 0 0 1910 {23.H} 7.938 0.049 0.052 {23.N} 118.853 0.787 0.818 {22.HA} 5.014 0.143 0.205 840.804 5.522 0 0 1911 {?} 7.356 0.039 0.044 {?} 118.825 0.746 0.873 {?} 4.954 0.141 0.201 57.121 6.407 0 0 1912 {?} 7.386 0.043 0.056 {?} 118.839 0.753 0.990 {?} 4.928 0.079 0.228 12.808 7.666 0 0 1913 {45.H} 9.156 0.038 0.085 {45.N} 118.836 0.711 1.197 {45.HA} 4.901 0.156 0.202 866.121 20.700 0 0 1914 {?} 9.156 0.039 0.089 {?} 118.823 0.678 1.171 {?} 4.770 0.103 0.211 853.603 21.575 0 0 1915 {129.H} 9.155 0.037 0.101 {129.N} 118.872 0.709 1.230 {129.HA} 4.647 0.147 0.211 1063.370 27.099 0 0 1916 {?} 7.998 0.037 0.100 {?} 118.852 0.706 1.215 {?} 4.651 0.100 0.211 251.574 24.792 0 0 1917 {?} 7.392 0.041 0.105 {?} 118.809 0.728 1.274 {?} 4.651 0.147 0.211 292.909 22.260 0 0 1918 {?} 7.359 0.038 0.084 {?} 118.833 0.748 1.215 {?} 4.645 0.198 0.331 875.621 17.694 0 0 1919 {?} 7.305 0.037 0.098 {?} 118.716 0.692 1.166 {?} 4.642 0.103 0.196 567.307 20.683 0 0 1920 {100.H} 7.938 0.036 0.078 {100.N} 118.868 0.684 1.145 {99.HA} 4.622 0.063 0.115 3271.251 16.219 0 0 1921 {11.H} 8.845 0.036 0.081 {11.N} 118.746 0.722 1.214 {11.HA} 4.534 0.096 0.222 1428.235 20.012 0 0 1922 {111.H} 7.937 0.036 0.088 {111.N} 118.814 0.734 1.246 {110.HA} 4.439 0.098 0.140 965.827 24.203 0 0 1923 {38.H} 7.355 0.036 0.127 {38.N} 118.823 0.694 1.233 {38.HA} 4.417 0.105 0.151 721.978 31.332 0 0 1924 {137.H} 9.156 0.038 0.146 {137.N} 118.836 0.721 1.703 {137.HB} 4.223 0.135 0.193 2402.115 70.246 0 0 1925 {?} 7.997 0.037 0.139 {?} 118.909 0.723 1.468 {?} 4.157 0.097 0.139 335.761 40.859 0 0 1926 {38.H} 7.354 0.032 0.048 {38.N} 118.806 0.719 1.023 {37.HA} 4.122 0.090 0.133 603.505 9.929 0 0 1927 {45.H} 9.153 0.032 0.048 {45.N} 118.810 0.719 1.023 {44.HB} 4.080 0.090 0.133 695.605 9.929 0 0 1928 {5.H} 7.991 0.027 0.046 {5.N} 118.764 0.766 1.577 {5.HA} 4.026 0.073 0.115 898.345 15.935 0 0 1929 {?} 7.938 0.029 0.027 {?} 118.857 0.595 0.556 {?} 3.886 0.108 0.102 2490.107 4.894 0 0 1930 {?} 7.388 0.029 0.030 {?} 118.894 0.502 0.526 {?} 3.863 0.067 0.152 1648.380 5.473 0 0 1931 {?} 7.310 0.022 0.014 {?} 118.834 0.721 0.405 {?} 3.833 0.085 0.060 197.757 3.630 0 0 1932 {?} 7.937 0.041 0.101 {?} 118.861 0.523 1.219 {?} 3.725 0.073 0.149 2087.468 20.091 0 0 1933 {?} 7.304 0.041 0.066 {?} 118.770 0.534 0.969 {?} 3.720 0.080 0.122 364.465 11.633 0 0 1934 {?} 7.352 0.025 0.009 {?} 118.793 0.508 0.135 {?} 3.606 0.064 0.018 387.874 3.008 0 0 1935 {?} 7.307 0.035 0.014 {?} 118.706 0.586 0.160 {?} 3.556 0.064 0.017 622.497 3.019 0 0 1936 {?} 9.156 0.021 0.016 {?} 118.795 1.033 0.815 {?} 3.415 0.078 0.064 283.915 4.165 0 0 1937 {5.H} 8.002 0.040 0.077 {5.N} 118.971 0.532 0.947 {4.HA} 3.357 0.088 0.149 1236.739 11.868 0 0 1938 {136.H} 7.353 0.036 0.060 {136.N} 118.751 0.489 0.739 {134.HA} 3.347 0.063 0.090 373.510 10.193 0 0 1939 {136.H} 7.305 0.035 0.032 {136.N} 118.716 0.615 0.518 {134.HA} 3.340 0.147 0.211 2084.510 4.502 0 0 1940 {?} 9.153 0.035 0.078 {?} 118.857 0.479 1.035 {?} 3.228 0.072 0.123 570.218 19.874 0 0 1941 {?} 7.306 0.036 0.040 {?} 118.693 0.568 0.628 {?} 3.178 0.050 0.120 406.523 5.826 0 0 1942 {5.H} 7.989 0.034 0.053 {5.N} 118.759 0.639 1.065 {4.HD2} 3.088 0.063 0.090 377.908 10.117 0 0 1943 {23.H} 7.942 0.040 0.106 {23.N} 118.963 0.532 1.239 {23.HB3} 2.986 0.068 0.113 699.789 25.723 0 0 1944 {110.H} 8.847 0.038 0.074 {110.N} 118.750 0.563 1.148 {108.HB2} 2.842 0.081 0.176 236.110 17.120 0 0 1945 {?} 7.305 0.039 0.066 {?} 118.730 0.511 0.963 {?} 2.782 0.055 0.109 355.627 13.428 0 0 1946 {?} 9.155 0.029 0.023 {?} 118.867 0.710 0.439 {?} 2.711 0.075 0.115 345.196 3.776 0 0 1947 {?} 7.943 0.040 0.048 {?} 118.989 0.513 0.618 {?} 2.692 0.108 0.131 1712.300 6.554 0 0 1948 {?} 7.998 0.042 0.032 {?} 118.969 0.575 0.360 {?} 2.575 0.142 0.098 536.996 3.794 0 0 1949 {?} 9.157 0.030 0.032 {?} 118.854 0.711 0.757 {?} 2.523 0.114 0.120 333.871 5.649 0 0 1950 {?} 8.000 0.040 0.103 {?} 118.945 0.483 1.050 {?} 2.463 0.070 0.141 263.835 23.506 0 0 1951 {38.H} 7.305 0.033 0.006 {38.N} 118.702 0.849 0.109 {39.HG3} 2.470 0.086 0.014 701.713 2.781 0 0 1952 {?} 7.352 0.043 0.050 {?} 118.808 0.630 0.768 {?} 2.442 0.067 0.081 1780.120 6.272 0 0 1953 {?} 8.841 0.035 0.032 {?} 118.793 0.659 0.549 {?} 2.421 0.083 0.072 169.874 4.473 0 0 1954 {?} 7.352 0.027 0.146 {?} 118.766 0.631 1.718 {?} 2.281 0.085 0.166 894.802 91.244 0 0 1955 {110.H} 8.843 0.033 0.045 {110.N} 118.814 0.650 0.942 {110.HG2} 2.251 0.097 0.139 7064.785 8.104 0 0 1956 {?} 7.938 0.025 0.048 {?} 118.866 0.652 1.128 {?} 2.177 0.105 0.151 7440.966 16.074 0 0 1957 {136.H} 7.306 0.037 0.056 {136.N} 118.734 0.653 1.000 {135.HB3} 2.153 0.105 0.151 2498.030 10.115 0 0 1958 {?} 9.156 0.024 0.033 {?} 118.855 0.634 0.915 {?} 2.109 0.105 0.151 3190.485 8.451 0 0 1959 {?} 7.387 0.036 0.028 {?} 118.856 0.721 0.491 {?} 2.025 0.109 0.079 5254.880 3.959 0 0 1960 {5.H} 7.937 0.028 0.089 {5.N} 118.849 0.626 1.298 {4.HB3} 1.990 0.128 0.207 1763.820 29.013 0 0 1961 {?} 7.306 0.023 0.023 {?} 118.726 0.861 0.836 {?} 1.995 0.042 0.090 1039.320 5.072 0 0 1962 {5.H} 7.995 0.035 0.116 {5.N} 118.858 0.745 1.294 {4.HB3} 1.947 0.082 0.194 1402.215 52.228 0 0 1963 {110.H} 8.844 0.022 0.013 {110.N} 118.792 0.780 0.441 {110.HB2} 1.904 0.189 0.126 3349.686 3.587 0 0 1964 {?} 9.156 0.036 0.110 {?} 118.833 0.580 1.751 {?} 1.871 0.077 0.130 1808.901 41.884 0 0 1965 {?} 7.937 0.031 0.124 {?} 118.834 0.751 2.296 {?} 1.829 0.090 0.163 3061.891 64.320 0 0 1966 {?} 7.306 0.037 0.038 {?} 118.693 0.979 1.039 {?} 1.740 0.096 0.137 2906.970 5.567 0 0 1967 {45.H 45.H} 9.155 0.030 0.067 {45.N 45.N} 118.839 0.760 1.767 {45.HB2 45.HD2} 1.733 0.062 0.116 3604.917 28.158 0 0 1968 {?} 7.989 0.027 0.016 {?} 118.731 0.892 0.372 {?} 1.659 0.052 0.065 869.191 3.227 0 0 1969 {111.H} 7.936 0.035 0.042 {111.N} 118.794 0.542 0.697 {111.HD2} 1.625 0.105 0.151 822.954 7.222 0 0 1970 {?} 7.388 0.034 0.057 {?} 118.866 0.656 1.089 {?} 1.584 0.087 0.138 18023.600 11.827 0 0 1971 {?} 7.115 0.031 0.024 {?} 118.879 0.832 0.591 {?} 1.559 0.058 0.097 355.887 4.057 0 0 1972 {38.H} 7.353 0.036 0.053 {38.N} 118.815 0.523 0.868 {38.HB3} 1.479 0.147 0.211 18603.699 10.394 0 0 1973 {5.H} 7.990 0.028 0.028 {5.N} 118.738 0.596 0.602 {5.HB3} 1.344 0.086 0.191 7355.993 5.266 0 0 1974 {136.H} 7.306 0.035 0.048 {136.N} 118.721 0.778 1.025 {136.HB2} 1.258 0.081 0.109 3725.850 8.280 0 0 1975 {?} 9.156 0.032 0.059 {?} 118.865 0.512 1.178 {?} 1.228 0.126 0.271 8435.699 19.806 0 0 1976 {?} 8.844 0.032 0.017 {?} 118.796 0.964 0.689 {?} 1.234 0.147 0.211 1001.791 3.542 0 0 1977 {?} 7.937 0.035 0.072 {?} 118.852 0.645 1.204 {?} 0.965 0.093 0.171 9761.213 17.366 0 0 1978 {?} 9.155 0.030 0.026 {?} 118.821 0.552 0.476 {?} 0.883 0.217 0.387 3293.545 4.582 0 0 1979 {?} 7.388 0.031 0.099 {?} 118.854 0.497 1.252 {?} 0.867 0.096 0.188 4322.730 33.167 0 0 1980 {11.H} 8.844 0.036 0.034 {11.N} 118.710 0.484 0.449 {7.HB3} 0.821 0.113 0.106 109.573 4.863 0 0 1981 {?} 7.937 0.022 0.007 {?} 118.848 0.950 0.322 {?} 0.791 0.055 0.063 5758.312 3.079 0 0 1982 {?} 7.388 0.039 0.020 {?} 118.859 1.058 0.391 {?} 0.689 0.203 0.053 6237.510 3.048 0 0 1983 {45.H} 9.155 0.028 0.006 {45.N} 118.828 0.622 0.129 {44.HG22} 0.573 0.073 0.062 1784.307 2.909 0 0 1984 {?} 8.002 0.037 0.024 {?} 118.999 0.619 0.372 {?} 0.497 0.147 0.211 549.016 3.725 0 0 1985 {111.H} 7.898 0.028 0.029 {111.N} 118.556 0.666 0.696 {112.H} 10.330 0.138 0.145 1349.169 5.445 0 0 1986 {?} 7.898 0.029 0.016 {?} 118.556 1.034 0.338 {?} 9.896 0.172 0.246 569.607 3.137 0 0 1987 {129.H} 9.193 0.026 0.016 {129.N} 118.431 0.545 0.284 {130.H} 9.688 0.191 0.138 83.815 3.526 0 0 1988 {31.H} 7.624 0.033 0.020 {31.N} 118.398 0.925 0.540 {30.H} 9.648 0.100 0.130 525.286 3.386 0 0 1989 {129.H} 9.192 0.040 0.011 {129.N} 118.438 0.952 0.365 {138.H} 9.531 0.063 0.058 593.118 3.049 0 0 1990 {?} 7.690 0.030 0.020 {?} 118.535 1.202 0.817 {?} 9.480 0.190 0.271 75.734 3.606 0 0 1991 {141.H} 9.335 0.032 0.016 {141.N} 118.384 0.901 0.294 {141.H} 9.336 0.142 0.108 4660.851 3.021 0 0 1992 {129.H} 9.191 0.044 0.018 {129.N} 118.486 1.015 0.757 {129.H} 9.184 0.105 0.151 13771.078 3.846 0 0 1993 {52.H} 7.689 0.037 0.028 {52.N} 118.498 0.588 0.404 {51.H} 9.118 0.067 0.112 130.738 3.973 0 0 1994 {141.H} 9.335 0.025 0.013 {141.N} 118.407 0.989 0.367 {144.H} 8.979 0.074 0.057 1615.718 3.141 0 0 1995 {111.H} 7.898 0.023 0.017 {111.N} 118.568 1.036 0.839 {110.H} 8.845 0.134 0.192 1593.797 4.072 0 0 1996 {?} 9.196 0.037 0.030 {?} 118.432 0.976 0.857 {?} 8.802 0.134 0.192 150.693 4.447 0 0 1997 {11.H} 8.849 0.025 0.009 {11.N} 118.618 1.002 0.326 {12.H} 8.698 0.062 0.041 2476.482 3.053 0 0 1998 {52.H} 7.688 0.034 0.027 {52.N} 118.507 0.928 0.810 {80.H} 8.661 0.232 0.331 351.413 4.450 0 0 1999 {?} 9.331 0.044 0.036 {?} 118.390 0.635 0.525 {?} 8.396 0.105 0.151 72.721 4.447 0 0 2000 {?} 8.236 0.034 0.015 {?} 118.456 0.550 0.141 {?} 8.240 0.105 0.151 244.687 2.992 0 0 2001 {111.H} 7.899 0.034 0.032 {111.N} 118.578 0.755 0.731 {109.H} 8.237 0.035 0.076 178.168 5.040 0 0 2002 {52.H} 7.688 0.040 0.038 {52.N} 118.517 0.999 0.943 {53.H} 8.226 0.105 0.151 1189.345 4.829 0 0 2003 {11.H} 8.848 0.033 0.030 {11.N} 118.589 0.788 0.707 {10.H} 8.021 0.147 0.211 2478.867 4.662 0 0 2004 {31.H} 7.624 0.038 0.039 {31.N} 118.463 0.677 0.709 {32.H} 7.956 0.147 0.211 751.334 5.521 0 0 2005 {31.H} 7.626 0.038 0.042 {31.N} 118.403 1.026 1.130 {33.H} 7.832 0.105 0.151 10.975 5.997 0 0 2006 {31.H 135.H} 7.568 0.037 0.049 {31.N 135.N} 118.589 1.035 1.460 {33.H 134.H} 7.790 0.134 0.192 505.031 8.575 0 0 2007 {141.H} 9.338 0.032 0.023 {141.N} 118.396 0.494 0.321 {18.H} 7.748 0.059 0.102 101.738 3.861 0 0 2008 {52.H} 7.689 0.036 0.024 {52.N} 118.486 0.806 0.640 {52.H} 7.686 0.134 0.192 11544.311 4.208 0 0 2009 {31.H} 7.625 0.028 0.021 {31.N} 118.397 0.678 0.479 {31.H} 7.625 0.039 0.069 9486.940 4.034 0 0 2010 {36.H 37.H 106.H} 7.466 0.028 0.027 {36.N 37.N 106.N} 118.440 0.710 0.677 {36.H 37.H 106.H} 7.470 0.179 0.256 24757.746 5.020 0 0 2011 {?} 7.076 0.035 0.054 {?} 118.457 0.504 0.730 {?} 7.476 0.169 0.211 72.043 8.742 0 0 2012 {?} 8.849 0.023 0.019 {?} 118.624 0.797 0.707 {?} 7.304 0.073 0.136 2815.533 4.455 0 0 2013 {?} 7.899 0.028 0.087 {?} 118.611 0.620 1.288 {?} 7.283 0.124 0.191 880.909 26.432 0 0 2014 {?} 9.338 0.036 0.051 {?} 118.512 1.018 1.385 {?} 7.228 0.086 0.103 90.919 9.529 0 0 2015 {?} 7.689 0.025 0.020 {?} 118.487 0.781 0.611 {?} 7.196 0.089 0.074 82.792 4.259 0 0 2016 {?} 7.897 0.026 0.040 {?} 118.634 0.551 0.872 {?} 7.154 0.053 0.075 509.194 9.349 0 0 2017 {?} 8.849 0.032 0.033 {?} 118.661 0.450 0.468 {?} 7.098 0.097 0.100 419.666 5.439 0 0 2018 {?} 9.191 0.026 0.025 {?} 118.455 0.517 0.482 {?} 7.061 0.068 0.132 1456.953 4.884 0 0 2019 {?} 9.192 0.029 0.032 {?} 118.455 0.763 0.844 {?} 6.940 0.072 0.081 1627.592 5.809 0 0 2020 {?} 7.311 0.035 0.094 {?} 118.656 0.665 1.351 {?} 6.934 0.105 0.183 276.392 33.281 0 0 2021 {?} 7.571 0.035 0.094 {?} 118.465 0.665 1.351 {?} 6.898 0.105 0.183 719.815 33.281 0 0 2022 {?} 7.901 0.023 0.017 {?} 118.599 0.737 0.582 {?} 6.859 0.147 0.211 1174.978 4.276 0 0 2023 {?} 7.622 0.030 0.095 {?} 118.467 0.488 1.152 {?} 6.838 0.102 0.182 95.726 26.241 0 0 2024 {?} 7.397 0.030 0.095 {?} 118.643 0.488 1.152 {?} 6.849 0.102 0.182 223.986 26.241 0 0 2025 {?} 7.303 0.028 0.086 {?} 118.613 0.608 1.329 {?} 6.832 0.102 0.337 252.363 34.090 0 0 2026 {?} 8.849 0.034 0.045 {?} 118.606 0.653 0.993 {?} 6.709 0.041 0.115 304.552 7.732 0 0 2027 {?} 7.686 0.037 0.064 {?} 118.513 0.624 0.994 {?} 6.697 0.097 0.149 128.894 9.808 0 0 2028 {?} 7.626 0.026 0.035 {?} 118.526 0.796 1.039 {?} 6.696 0.105 0.151 61.202 8.252 0 0 2029 {?} 7.457 0.033 0.113 {?} 118.397 0.501 1.319 {?} 6.567 0.150 0.246 1429.775 39.806 0 0 2030 {?} 7.620 0.031 0.030 {?} 118.443 0.683 0.640 {?} 6.540 0.172 0.246 28.560 4.906 0 0 2031 {?} 8.848 0.028 0.068 {?} 118.601 0.608 1.225 {?} 6.508 0.206 0.295 1543.127 23.744 0 0 2032 {?} 7.681 0.031 0.103 {?} 118.545 0.507 1.336 {?} 6.510 0.113 0.382 59.460 48.344 0 0 2033 {?} 7.459 0.030 0.077 {?} 118.443 0.624 1.270 {?} 6.436 0.090 0.271 589.401 22.740 0 0 2034 {?} 7.461 0.026 0.029 {?} 118.448 0.541 0.621 {?} 6.298 0.068 0.078 423.168 6.121 0 0 2035 {?} 7.895 0.035 0.073 {?} 118.631 0.739 1.296 {?} 6.267 0.213 0.304 471.164 19.637 0 0 2036 {?} 7.622 0.032 0.100 {?} 118.556 0.620 1.332 {?} 6.253 0.109 0.247 5.711 34.809 0 0 2037 {?} 7.302 0.030 0.094 {?} 118.608 0.514 1.218 {?} 6.204 0.081 0.152 128.082 25.323 0 0 2038 {?} 8.850 0.027 0.075 {?} 118.624 0.641 1.354 {?} 6.198 0.077 0.173 1282.206 32.440 0 0 2039 {?} 7.459 0.027 0.075 {?} 118.377 0.641 1.354 {?} 6.181 0.077 0.173 370.871 32.440 0 0 2040 {?} 7.463 0.027 0.075 {?} 118.485 0.641 1.354 {?} 6.045 0.077 0.173 600.710 32.440 0 0 2041 {?} 7.566 0.035 0.077 {?} 118.468 0.670 1.326 {?} 5.900 0.105 0.151 60.143 26.613 0 0 2042 {?} 7.460 0.030 0.072 {?} 118.414 0.510 1.053 {?} 5.892 0.074 0.151 407.072 17.548 0 0 2043 {?} 9.192 0.035 0.094 {?} 118.447 0.650 1.351 {?} 5.800 0.105 0.151 3050.134 38.151 0 0 2044 {?} 7.901 0.038 0.020 {?} 118.597 0.682 0.300 {?} 5.772 0.039 0.048 1017.688 3.342 0 0 2045 {?} 7.350 0.027 0.127 {?} 118.631 0.626 1.603 {?} 5.756 0.106 0.328 180.364 66.653 0 0 2046 {?} 7.465 0.027 0.127 {?} 118.467 0.626 1.603 {?} 5.490 0.106 0.328 880.195 66.653 0 0 2047 {?} 8.846 0.037 0.132 {?} 118.624 1.124 2.384 {?} 5.485 0.134 0.256 421.396 83.555 0 0 2048 {?} 7.899 0.035 0.102 {?} 118.652 0.657 1.394 {?} 5.482 0.147 0.211 224.860 39.083 0 0 2049 {?} 7.689 0.037 0.118 {?} 118.507 0.537 1.766 {?} 5.475 0.100 0.151 1208.426 63.884 0 0 2050 {?} 7.623 0.032 0.048 {?} 118.473 0.495 0.851 {?} 5.472 0.175 0.225 166.453 10.732 0 0 2051 {?} 7.572 0.027 0.056 {?} 118.450 0.622 1.181 {?} 5.433 0.082 0.128 346.922 15.607 0 0 2052 {?} 7.303 0.027 0.056 {?} 118.684 0.622 1.181 {?} 5.417 0.082 0.128 183.128 15.607 0 0 2053 {?} 9.193 0.027 0.056 {?} 118.473 0.622 1.181 {?} 5.351 0.082 0.128 783.212 15.607 0 0 2054 {?} 7.899 0.042 0.076 {?} 118.540 1.018 1.858 {?} 5.354 0.071 0.114 339.675 15.546 0 0 2055 {?} 8.847 0.028 0.041 {?} 118.631 0.679 1.042 {?} 5.291 0.074 0.097 273.440 8.618 0 0 2056 {?} 9.337 0.028 0.041 {?} 118.424 0.679 1.042 {?} 5.163 0.074 0.097 144.589 8.618 0 0 2057 {?} 7.571 0.024 0.008 {?} 118.449 0.804 0.286 {?} 5.172 0.071 0.023 203.817 3.080 0 0 2058 {?} 7.306 0.035 0.055 {?} 118.687 0.767 1.322 {?} 5.155 0.057 0.088 185.454 9.601 0 0 2059 {?} 9.192 0.033 0.046 {?} 118.489 0.696 1.166 {?} 5.097 0.072 0.110 621.819 16.645 0 0 2060 {?} 7.689 0.012 0.013 {?} 118.493 0.546 0.590 {?} 5.089 0.068 0.072 345.392 5.680 0 0 2061 {38.H} 7.306 0.033 0.050 {38.N} 118.681 0.755 1.220 {39.HA} 5.052 0.071 0.116 114.999 17.527 0 0 2062 {?} 9.337 0.026 0.030 {?} 118.432 0.852 0.973 {?} 5.032 0.076 0.089 72.301 6.315 0 0 2063 {?} 7.894 0.029 0.034 {?} 118.551 0.602 0.794 {?} 4.983 0.072 0.087 649.197 7.060 0 0 2064 {?} 7.689 0.033 0.119 {?} 118.493 0.558 1.390 {?} 4.949 0.079 0.215 475.831 82.675 0 0 2065 {?} 7.466 0.027 0.027 {?} 118.441 0.622 0.633 {?} 4.926 0.098 0.100 152.431 5.313 0 0 2066 {?} 7.295 0.036 0.058 {?} 118.604 0.585 1.127 {?} 4.875 0.100 0.173 121.070 14.585 0 0 2067 {23.H} 7.897 0.036 0.066 {23.N} 118.591 0.526 1.146 {21.HA} 4.827 0.135 0.284 396.945 16.257 0 0 2068 {?} 9.187 0.035 0.051 {?} 118.519 0.522 0.812 {?} 4.749 0.098 0.154 1130.652 8.972 0 0 2069 {?} 9.334 0.035 0.024 {?} 118.426 0.843 0.603 {?} 4.677 0.106 0.075 157.711 3.837 0 0 2070 {?} 7.570 0.024 0.019 {?} 118.402 0.696 0.530 {?} 4.631 0.110 0.091 1075.698 4.218 0 0 2071 {135.H} 7.624 0.037 0.227 {135.N} 118.375 0.513 2.578 {136.HA} 4.591 0.070 0.100 325.546 180.796 0 0 2072 {?} 7.898 0.037 0.227 {?} 118.564 0.513 2.578 {?} 4.579 0.070 0.100 934.972 180.796 0 0 2073 {?} 7.689 0.040 0.247 {?} 118.490 1.392 2.127 {?} 4.539 0.084 0.266 771.707 138.141 0 0 2074 {111.H} 7.899 0.033 0.141 {111.N} 118.592 0.721 1.858 {110.HA} 4.444 0.084 0.424 1187.981 103.930 0 0 2075 {141.H} 9.334 0.026 0.037 {141.N} 118.427 0.746 0.629 {141.HB2} 4.395 0.134 0.111 253.006 4.480 0 0 2076 {6.H} 7.471 0.033 0.063 {6.N} 118.466 0.657 1.102 {6.HA} 4.383 0.071 0.149 705.319 15.175 0 0 2077 {52.H} 7.692 0.026 0.030 {52.N} 118.501 0.600 0.737 {81.HA} 4.365 0.091 0.107 204.968 6.562 0 0 2078 {31.H 39.H} 7.624 0.029 0.042 {31.N 39.N} 118.413 0.497 0.729 {31.HA 38.HA} 4.356 0.110 0.283 499.206 8.998 0 0 2079 {52.H} 7.689 0.029 0.032 {52.N} 118.494 0.717 0.803 {52.HA} 4.208 0.053 0.129 534.988 5.820 0 0 2080 {37.H} 7.472 0.035 0.042 {37.N} 118.448 0.668 0.817 {37.HA} 4.126 0.087 0.109 2589.630 6.835 0 0 2081 {38.H} 7.300 0.035 0.056 {38.N} 118.569 0.527 0.880 {37.HA} 4.135 0.076 0.110 176.126 10.326 0 0 2082 {111.H} 7.899 0.043 0.043 {111.N} 118.565 0.699 0.709 {111.HA} 4.119 0.122 0.123 1801.677 5.274 0 0 2083 {31.H} 7.625 0.033 0.072 {31.N} 118.400 0.514 1.135 {30.HA} 4.071 0.139 0.271 322.595 18.027 0 0 2084 {110.H} 8.849 0.033 0.075 {110.N} 118.620 0.702 1.263 {109.HB} 3.938 0.098 0.211 907.010 31.659 0 0 2085 {11.H} 8.849 0.032 0.097 {11.N} 118.553 0.720 1.621 {11.HB2} 3.770 0.081 0.160 670.136 51.004 0 0 2086 {36.H} 7.453 0.029 0.023 {36.N} 118.379 0.893 0.705 {35.HA} 3.669 0.148 0.097 1988.900 4.217 0 0 2087 {11.H} 8.849 0.033 0.032 {11.N} 118.594 0.616 0.578 {10.HB3} 3.419 0.067 0.130 3352.223 4.911 0 0 2088 {52.H} 7.688 0.026 0.011 {52.N} 118.485 0.960 0.480 {79.HA3} 3.416 0.051 0.046 894.134 3.210 0 0 2089 {135.H} 7.571 0.021 0.016 {135.N} 118.391 0.598 0.460 {134.HA} 3.340 0.147 0.211 2122.042 4.237 0 0 2090 {36.H} 7.445 0.041 0.019 {36.N} 118.465 0.570 0.340 {36.HA} 3.352 0.158 0.169 3343.060 3.715 0 0 2091 {?} 7.628 0.024 0.004 {?} 118.444 0.667 0.102 {?} 3.260 0.106 0.015 235.183 2.824 0 0 2092 {135.H} 7.571 0.033 0.021 {135.N} 118.522 0.538 0.344 {135.HB2} 3.186 0.190 0.271 1165.787 3.831 0 0 2093 {129.H} 9.191 0.035 0.009 {129.N} 118.466 1.154 0.298 {129.HB2} 3.136 0.120 0.039 973.698 3.013 0 0 2094 {11.H} 8.848 0.033 0.036 {11.N} 118.647 0.630 0.709 {10.HB2} 3.154 0.070 0.080 1246.997 5.875 0 0 2095 {52.H} 7.688 0.032 0.099 {52.N} 118.498 0.548 1.315 {51.HB2} 3.022 0.089 0.219 1489.193 51.297 0 0 2096 {110.H} 8.852 0.038 0.049 {110.N} 118.671 0.697 0.874 {111.HE2} 2.976 0.113 0.155 61.992 6.934 0 0 2097 {23.H} 7.899 0.037 0.068 {23.N} 118.608 0.498 1.172 {23.HB3} 2.994 0.094 0.170 685.621 20.364 0 0 2098 {?} 7.568 0.036 0.029 {?} 118.453 0.579 0.428 {?} 2.972 0.045 0.033 170.942 4.139 0 0 2099 {?} 7.296 0.033 0.052 {?} 118.523 0.528 0.902 {?} 2.978 0.077 0.117 132.967 10.633 0 0 2100 {?} 7.453 0.038 0.036 {?} 118.529 0.576 0.540 {?} 2.830 0.033 0.071 845.458 4.906 0 0 2101 {?} 7.570 0.037 0.070 {?} 118.448 0.535 1.098 {?} 2.786 0.046 0.139 409.960 15.342 0 0 2102 {52.H} 7.689 0.021 0.011 {52.N} 118.517 0.835 0.442 {51.HB3} 2.590 0.117 0.182 979.130 3.378 0 0 2103 {52.H} 7.624 0.039 0.069 {52.N} 118.440 0.501 0.922 {51.HB3} 2.605 0.105 0.151 149.785 13.122 0 0 2104 {?} 9.338 0.035 0.029 {?} 118.427 0.590 0.446 {?} 2.476 0.179 0.244 273.196 4.189 0 0 2105 {?} 9.192 0.032 0.008 {?} 118.449 1.067 0.243 {?} 2.443 0.134 0.192 311.447 2.862 0 0 2106 {?} 7.894 0.038 0.064 {?} 118.575 0.502 0.904 {?} 2.439 0.105 0.151 202.292 12.083 0 0 2107 {?} 7.898 0.037 0.059 {?} 118.581 0.567 0.996 {?} 2.240 0.105 0.151 3843.378 11.200 0 0 2108 {?} 7.624 0.028 0.018 {?} 118.401 0.730 0.389 {?} 2.240 0.147 0.211 13782.653 3.531 0 0 2109 {?} 7.450 0.023 0.007 {?} 118.404 0.916 0.239 {?} 2.244 0.105 0.151 1432.060 3.001 0 0 2110 {?} 9.189 0.044 0.032 {?} 118.513 0.637 0.383 {?} 2.132 0.105 0.151 1993.449 3.729 0 0 2111 {?} 9.335 0.036 0.089 {?} 118.387 0.482 1.223 {?} 2.072 0.122 0.161 1923.005 31.293 0 0 2112 {52.H} 7.687 0.033 0.074 {52.N} 118.492 0.717 1.198 {53.HB3} 2.023 0.068 0.104 613.620 19.391 0 0 2113 {?} 7.625 0.023 0.017 {?} 118.387 0.748 0.539 {?} 2.038 0.134 0.192 2178.460 4.068 0 0 2114 {?} 7.448 0.031 0.050 {?} 118.443 0.508 0.859 {?} 2.030 0.060 0.084 3514.820 10.158 0 0 2115 {?} 7.899 0.031 0.031 {?} 118.574 0.632 0.623 {?} 1.985 0.055 0.120 6153.890 5.143 0 0 2116 {129.H} 9.192 0.035 0.057 {129.N} 118.470 0.561 0.925 {129.HB3} 1.973 0.054 0.088 4795.104 10.284 0 0 2117 {111.H} 7.899 0.030 0.059 {111.N} 118.569 0.739 1.167 {111.HD3} 1.777 0.071 0.111 5983.311 15.272 0 0 2118 {45.H 45.H} 9.191 0.025 0.016 {45.N 45.N} 118.510 0.861 0.414 {45.HB2 45.HD2} 1.747 0.113 0.065 1852.759 3.479 0 0 2119 {31.H} 7.624 0.026 0.022 {31.N} 118.391 0.607 0.493 {33.HG} 1.756 0.168 0.147 1062.800 4.390 0 0 2120 {31.H} 7.571 0.029 0.020 {31.N} 118.492 0.836 0.518 {33.HG} 1.757 0.126 0.169 4040.013 3.747 0 0 2121 {141.H 141.H} 9.335 0.031 0.047 {141.N 141.N} 118.381 0.744 1.078 {126.HG2 126.HG3} 1.730 0.138 0.222 90.409 10.534 0 0 2122 {?} 7.688 0.036 0.097 {?} 118.462 0.513 1.293 {?} 1.724 0.109 0.155 905.744 34.205 0 0 2123 {?} 7.899 0.038 0.041 {?} 118.589 0.617 0.663 {?} 1.637 0.093 0.098 1278.544 5.640 0 0 2124 {?} 8.848 0.035 0.065 {?} 118.642 0.518 0.937 {?} 1.615 0.116 0.215 973.907 12.783 0 0 2125 {36.H} 7.452 0.033 0.054 {36.N} 118.442 0.686 0.965 {36.HB2} 1.527 0.098 0.175 13454.582 9.578 0 0 2126 {52.H} 7.689 0.035 0.034 {52.N} 118.503 0.886 0.870 {52.HB3} 1.501 0.147 0.211 4970.125 5.110 0 0 2127 {?} 7.898 0.032 0.068 {?} 118.567 0.711 1.284 {?} 1.421 0.097 0.271 1178.794 22.219 0 0 2128 {?} 7.070 0.028 0.046 {?} 118.631 0.545 1.046 {?} 1.423 0.105 0.151 46.929 12.527 0 0 2129 {37.H} 7.472 0.033 0.070 {37.N} 118.443 0.570 1.232 {37.HB3} 1.410 0.114 0.164 21284.801 22.502 0 0 2130 {?} 9.193 0.036 0.077 {?} 118.433 0.518 1.210 {?} 1.356 0.109 0.211 2717.457 27.017 0 0 2131 {?} 9.334 0.036 0.045 {?} 118.414 0.848 1.056 {?} 1.351 0.190 0.271 202.667 7.797 0 0 2132 {?} 7.569 0.033 0.055 {?} 118.529 0.505 0.867 {?} 1.254 0.134 0.192 340.301 11.111 0 0 2133 {111.H} 7.899 0.036 0.084 {111.N} 118.601 0.560 1.234 {111.HG3} 1.220 0.105 0.151 2876.288 24.266 0 0 2134 {45.H} 9.190 0.031 0.051 {45.N} 118.521 0.617 1.045 {45.HG2} 1.127 0.044 0.137 3436.772 11.903 0 0 2135 {?} 7.447 0.034 0.087 {?} 118.514 0.564 1.341 {?} 1.130 0.098 0.211 2343.768 44.393 0 0 2136 {?} 8.849 0.036 0.059 {?} 118.575 0.552 1.017 {?} 1.025 0.172 0.246 283.740 12.606 0 0 2137 {106.H} 7.454 0.036 0.066 {106.N} 118.399 0.521 0.998 {106.HG12} 0.983 0.159 0.271 1690.853 14.867 0 0 2138 {?} 9.336 0.031 0.068 {?} 118.399 0.585 1.202 {?} 0.930 0.113 0.187 1589.562 19.221 0 0 2139 {?} 9.189 0.033 0.129 {?} 118.497 0.719 1.774 {?} 0.935 0.082 0.167 1990.368 107.356 0 0 2140 {31.H 31.H} 7.624 0.038 0.124 {31.N 31.N} 118.397 0.512 1.311 {33.HD11 33.HD12} 0.914 0.146 0.213 860.883 53.816 0 0 2141 {?} 7.452 0.033 0.058 {?} 118.403 0.610 1.201 {?} 0.836 0.062 0.115 4700.750 15.767 0 0 2142 {141.H} 9.336 0.024 0.021 {141.N} 118.386 1.139 1.018 {140.HG13} 0.763 0.090 0.085 1458.494 4.676 0 0 2143 {?} 9.192 0.033 0.075 {?} 118.472 0.749 1.229 {?} 0.772 0.063 0.090 540.976 17.173 0 0 2144 {?} 7.454 0.032 0.096 {?} 118.380 0.574 1.360 {?} 0.723 0.136 0.212 10633.100 58.899 0 0 2145 {?} 7.686 0.032 0.096 {?} 118.562 0.574 1.360 {?} 0.609 0.136 0.212 90.760 58.899 0 0 2146 {?} 7.689 0.037 0.127 {?} 118.512 0.518 1.354 {?} 0.359 0.105 0.151 649.583 69.754 0 0 2147 {?} 8.849 0.034 0.145 {?} 118.600 0.719 1.468 {?} 0.267 0.201 0.408 1164.857 38.617 0 0 2148 {120.H} 8.349 0.034 0.135 {120.N} 118.112 0.531 1.346 {119.H} 9.582 0.105 0.151 1095.485 66.218 0 0 2149 {120.H} 8.349 0.031 0.028 {120.N} 118.165 0.897 0.800 {161.H} 9.251 0.105 0.151 91.045 4.591 0 0 2150 {?} 6.943 0.036 0.096 {?} 118.236 0.523 1.219 {?} 9.154 0.083 0.144 958.942 20.145 0 0 2151 {6.H} 7.431 0.035 0.019 {6.N} 118.220 0.866 0.395 {3.H} 9.082 0.105 0.066 770.481 3.386 0 0 2152 {120.H} 8.346 0.028 0.027 {120.N} 118.146 0.903 0.834 {62.H} 8.926 0.066 0.140 104.903 4.834 0 0 2153 {?} 7.429 0.038 0.032 {?} 118.236 0.909 0.654 {?} 8.927 0.066 0.048 146.021 4.066 0 0 2154 {141.H} 9.334 0.032 0.024 {141.N} 118.322 0.832 0.650 {143.H} 8.811 0.077 0.057 587.318 4.189 0 0 2155 {128.H} 6.942 0.016 0.016 {128.N} 118.244 1.171 0.333 {42.H} 8.706 0.099 0.032 367.896 3.015 0 0 2156 {120.H} 8.349 0.033 0.036 {120.N} 118.100 0.478 0.557 {122.H} 8.594 0.154 0.211 901.531 6.238 0 0 2157 {?} 9.331 0.027 0.059 {?} 118.271 0.667 1.596 {?} 8.559 0.068 0.131 158.254 28.652 0 0 2158 {120.H} 8.350 0.026 0.053 {120.N} 118.106 0.531 1.233 {120.H} 8.361 0.071 0.125 7050.472 23.771 0 0 2159 {?} 6.941 0.033 0.030 {?} 118.202 0.474 0.401 {?} 8.221 0.096 0.083 217.768 4.516 0 0 2160 {141.H} 9.338 0.040 0.091 {141.N} 118.308 0.477 1.083 {19.H} 8.142 0.135 0.192 30.855 23.289 0 0 2161 {?} 9.334 0.031 0.005 {?} 118.211 0.859 0.162 {?} 8.039 0.122 0.025 53.986 2.846 0 0 2162 {?} 8.349 0.026 0.036 {?} 118.107 0.515 0.673 {?} 8.058 0.147 0.211 71.650 7.532 0 0 2163 {6.H 6.H} 7.431 0.025 0.014 {6.N 6.N} 118.241 1.029 0.656 {5.H 7.H} 7.986 0.088 0.052 3382.274 3.509 0 0 2164 {106.H} 7.453 0.019 0.005 {106.N} 118.351 0.915 0.232 {107.H} 7.836 0.068 0.016 2148.615 2.970 0 0 2165 {31.H 39.H 135.H} 7.573 0.022 0.016 {31.N 39.N 135.N} 118.286 0.709 0.457 {31.H 39.H 135.H} 7.575 0.169 0.108 16167.695 3.842 0 0 2166 {?} 8.349 0.032 0.024 {?} 118.129 0.824 0.620 {?} 7.493 0.232 0.331 266.557 4.187 0 0 2167 {6.H 36.H 37.H 106.H} 7.437 0.025 0.006 {6.N 36.N 37.N 106.N} 118.344 0.551 0.110 {6.H 36.H 37.H 106.H} 7.447 0.086 0.017 20347.496 2.898 0 0 2168 {?} 6.938 0.030 0.016 {?} 118.248 0.751 0.247 {?} 7.429 0.091 0.031 20.807 3.130 0 0 2169 {120.H} 8.348 0.027 0.022 {120.N} 118.078 0.816 0.636 {123.H} 7.371 0.114 0.169 368.835 4.236 0 0 2170 {39.H} 7.572 0.037 0.044 {39.N} 118.316 0.503 0.598 {38.H} 7.332 0.067 0.226 7967.159 6.419 0 0 2171 {120.H} 8.349 0.033 0.005 {120.N} 118.124 0.740 0.139 {121.H} 7.217 0.174 0.054 1691.736 2.866 0 0 2172 {?} 7.623 0.036 0.103 {?} 118.280 0.485 1.232 {?} 7.102 0.074 0.136 293.302 29.487 0 0 2173 {?} 7.571 0.031 0.014 {?} 118.310 0.933 0.279 {?} 7.086 0.120 0.037 1555.432 2.966 0 0 2174 {?} 7.453 0.038 0.039 {?} 118.353 0.615 0.632 {?} 7.052 0.072 0.073 2783.002 5.363 0 0 2175 {?} 8.347 0.027 0.008 {?} 118.063 0.635 0.206 {?} 7.009 0.066 0.081 251.815 3.112 0 0 2176 {128.H} 6.942 0.036 0.125 {128.N} 118.222 0.758 1.082 {128.H} 6.941 0.136 0.253 4234.248 65.935 0 0 2177 {?} 8.346 0.034 0.073 {?} 118.138 0.674 1.298 {?} 6.826 0.077 0.140 42.563 22.016 0 0 2178 {?} 7.439 0.034 0.073 {?} 118.307 0.674 1.298 {?} 6.725 0.077 0.140 698.775 22.016 0 0 2179 {?} 6.940 0.036 0.092 {?} 118.212 0.709 1.358 {?} 6.704 0.079 0.175 256.868 30.315 0 0 2180 {?} 7.571 0.032 0.040 {?} 118.350 0.547 0.712 {?} 6.569 0.046 0.060 1068.038 7.245 0 0 2181 {?} 6.948 0.037 0.136 {?} 118.305 0.554 1.794 {?} 6.573 0.082 0.117 74.581 67.279 0 0 2182 {?} 7.568 0.031 0.087 {?} 118.280 0.665 1.336 {?} 6.315 0.085 0.177 503.857 40.557 0 0 2183 {?} 7.573 0.037 0.021 {?} 118.287 0.724 0.345 {?} 6.085 0.105 0.057 116.299 3.418 0 0 2184 {128.H} 6.942 0.032 0.052 {128.N} 118.217 0.732 1.112 {128.HD22} 5.793 0.069 0.099 1548.394 12.615 0 0 2185 {?} 7.572 0.034 0.053 {?} 118.252 0.551 1.017 {?} 5.770 0.069 0.106 267.842 11.166 0 0 2186 {?} 7.431 0.037 0.045 {?} 118.370 0.655 0.886 {?} 5.742 0.167 0.211 222.563 7.042 0 0 2187 {?} 8.351 0.026 0.027 {?} 118.149 0.635 0.235 {?} 5.596 0.046 0.056 5.661 3.199 0 0 2188 {?} 7.434 0.032 0.176 {?} 118.334 0.660 1.793 {?} 5.505 0.075 0.108 519.413 103.897 0 0 2189 {?} 6.941 0.029 0.038 {?} 118.205 0.807 1.003 {?} 5.298 0.109 0.149 572.487 6.661 0 0 2190 {?} 9.334 0.037 0.071 {?} 118.339 0.497 1.037 {?} 5.275 0.078 0.164 122.207 19.062 0 0 2191 {?} 7.433 0.023 0.003 {?} 118.313 0.679 0.075 {?} 5.194 0.050 0.022 936.866 2.760 0 0 2192 {?} 7.629 0.027 0.023 {?} 118.285 0.659 0.537 {?} 5.174 0.105 0.151 22.122 4.402 0 0 2193 {?} 6.944 0.031 0.026 {?} 118.217 0.812 0.719 {?} 5.052 0.139 0.128 313.577 4.579 0 0 2194 {?} 7.440 0.026 0.015 {?} 118.286 0.883 0.526 {?} 4.983 0.135 0.193 586.231 3.392 0 0 2195 {?} 7.575 0.035 0.099 {?} 118.342 0.744 2.024 {?} 4.951 0.079 0.225 228.731 101.855 0 0 2196 {?} 6.942 0.028 0.184 {?} 118.221 0.712 1.287 {?} 4.906 0.080 0.284 195.087 199.964 0 0 2197 {?} 8.346 0.028 0.184 {?} 118.166 0.712 1.287 {?} 4.811 0.080 0.284 384.133 199.964 0 0 2198 {?} 6.942 0.028 0.011 {?} 118.218 0.674 0.244 {?} 4.769 0.130 0.068 148.478 3.184 0 0 2199 {?} 7.433 0.025 0.024 {?} 118.282 0.582 0.541 {?} 4.678 0.075 0.065 1271.490 4.870 0 0 2200 {?} 8.349 0.029 0.061 {?} 118.176 0.683 1.188 {?} 4.555 0.065 0.118 362.643 20.808 0 0 2201 {?} 6.945 0.038 0.030 {?} 118.317 0.534 0.398 {?} 4.542 0.193 0.155 30.024 4.158 0 0 2202 {135.H} 7.573 0.038 0.057 {135.N} 118.266 0.532 0.850 {135.HA} 4.511 0.072 0.100 452.432 9.487 0 0 2203 {?} 7.438 0.033 0.105 {?} 118.316 0.653 1.673 {?} 4.528 0.083 0.118 1705.321 89.665 0 0 2204 {?} 8.350 0.028 0.003 {?} 118.127 1.154 0.094 {?} 4.428 0.058 0.013 724.885 2.721 0 0 2205 {?} 6.941 0.033 0.023 {?} 118.241 0.538 0.336 {?} 4.388 0.073 0.119 305.714 3.791 0 0 2206 {120.H} 8.349 0.029 0.080 {120.N} 118.108 0.675 1.216 {120.HA} 4.316 0.141 0.202 861.006 21.203 0 0 2207 {?} 6.943 0.026 0.027 {?} 118.259 0.566 0.611 {?} 4.251 0.102 0.146 363.926 5.670 0 0 2208 {6.H 36.H 106.H} 7.438 0.032 0.062 {6.N 36.N 106.N} 118.345 0.638 1.136 {5.HA 33.HA 105.HA} 4.007 0.147 0.211 607.034 16.071 0 0 2209 {120.H} 8.349 0.042 0.049 {120.N} 118.124 0.550 0.676 {119.HA} 3.772 0.105 0.150 364.493 6.761 0 0 2210 {?} 7.573 0.032 0.053 {?} 118.145 0.705 1.016 {?} 3.745 0.097 0.139 1727.690 10.680 0 0 2211 {?} 6.936 0.041 0.064 {?} 118.254 0.573 1.110 {?} 3.688 0.120 0.271 114.626 12.953 0 0 2212 {?} 7.574 0.033 0.057 {?} 118.227 0.527 0.911 {?} 3.588 0.122 0.189 468.524 10.345 0 0 2213 {?} 6.942 0.026 0.019 {?} 118.256 0.779 0.534 {?} 3.259 0.105 0.151 345.863 3.946 0 0 2214 {120.H} 8.346 0.036 0.041 {120.N} 118.141 0.735 0.855 {118.HB3} 3.171 0.095 0.271 584.673 6.386 0 0 2215 {?} 6.941 0.022 0.004 {?} 118.233 0.816 0.112 {?} 3.125 0.072 0.042 536.992 2.797 0 0 2216 {6.H} 7.432 0.027 0.020 {6.N} 118.241 0.790 0.619 {6.HB3} 2.965 0.134 0.192 3300.497 3.952 0 0 2217 {?} 6.940 0.019 0.008 {?} 118.250 0.861 0.383 {?} 2.957 0.105 0.151 22.631 3.269 0 0 2218 {141.H 141.H} 9.337 0.028 0.016 {141.N 141.N} 118.363 0.800 0.312 {17.HB2 18.HB2} 2.615 0.076 0.079 195.477 3.191 0 0 2219 {?} 7.431 0.031 0.021 {?} 118.233 0.700 0.460 {?} 2.566 0.097 0.145 2578.703 3.881 0 0 2220 {?} 8.351 0.029 0.009 {?} 118.158 0.796 0.207 {?} 2.484 0.177 0.107 283.270 2.991 0 0 2221 {?} 7.574 0.033 0.017 {?} 118.095 0.884 0.362 {?} 2.445 0.147 0.211 4860.670 3.170 0 0 2222 {?} 6.940 0.032 0.045 {?} 118.142 0.518 0.701 {?} 2.432 0.067 0.086 309.138 7.880 0 0 2223 {?} 8.349 0.028 0.015 {?} 118.092 0.484 0.207 {?} 2.328 0.114 0.061 923.177 3.316 0 0 2224 {?} 7.575 0.022 0.012 {?} 118.112 0.730 0.328 {?} 2.275 0.076 0.097 3593.595 3.349 0 0 2225 {?} 9.337 0.028 0.024 {?} 118.337 0.804 0.630 {?} 2.239 0.190 0.271 450.370 4.237 0 0 2226 {135.H} 7.572 0.037 0.049 {135.N} 118.330 0.470 0.632 {135.HB3} 2.157 0.061 0.077 4804.520 7.959 0 0 2227 {120.H} 8.350 0.023 0.010 {120.N} 118.101 0.774 0.376 {119.HB2} 2.028 0.134 0.192 1426.782 3.281 0 0 2228 {128.H} 6.942 0.029 0.011 {128.N} 118.229 0.816 0.297 {128.HB3} 1.976 0.147 0.211 2043.731 3.087 0 0 2229 {?} 8.350 0.029 0.022 {?} 118.085 0.638 0.444 {?} 1.828 0.105 0.151 911.930 4.001 0 0 2230 {128.H} 6.942 0.030 0.023 {128.N} 118.223 0.842 0.648 {126.HG2} 1.720 0.105 0.151 2812.750 4.073 0 0 2231 {120.H 120.H} 8.350 0.025 0.016 {120.N 120.N} 118.111 0.807 0.608 {120.HB1 120.HB2} 1.547 0.160 0.228 7904.705 3.928 0 0 2232 {?} 9.335 0.037 0.063 {?} 118.310 0.514 0.927 {?} 1.454 0.056 0.133 412.794 11.616 0 0 2233 {?} 7.573 0.022 0.016 {?} 118.224 0.767 0.480 {?} 1.457 0.105 0.151 5452.390 3.716 0 0 2234 {?} 6.940 0.034 0.051 {?} 118.303 0.574 0.837 {?} 1.344 0.105 0.151 74.017 8.662 0 0 2235 {?} 6.942 0.032 0.032 {?} 118.220 0.558 0.557 {?} 1.131 0.134 0.192 896.348 5.211 0 0 2236 {128.H} 6.941 0.031 0.034 {128.N} 118.220 0.789 0.849 {127.HG21} 0.947 0.071 0.171 1723.630 5.823 0 0 2237 {?} 8.350 0.046 0.040 {?} 118.119 0.531 0.460 {?} 0.905 0.105 0.151 1548.528 4.597 0 0 2238 {?} 6.942 0.030 0.036 {?} 118.221 0.711 0.846 {?} 0.793 0.274 0.391 2225.667 6.433 0 0 2239 {?} 8.350 0.033 0.032 {?} 118.135 0.582 0.571 {?} 0.773 0.063 0.090 764.637 5.122 0 0 2240 {?} 6.941 0.026 0.009 {?} 118.221 0.967 0.296 {?} 0.571 0.082 0.022 865.775 3.011 0 0 2241 {?} 7.452 0.027 0.034 {?} 118.350 0.598 0.761 {?} 0.282 0.105 0.151 2353.081 6.822 0 0 2242 {?} 9.335 0.037 0.054 {?} 118.323 0.615 0.974 {?} 0.190 0.105 0.151 243.121 9.245 0 0 2243 {106.H 106.H} 7.454 0.027 0.037 {106.N 106.N} 118.328 0.620 0.866 {152.HD12 152.HD13} -0.160 0.105 0.151 297.427 7.621 0 0 2244 {107.H} 7.844 0.034 0.077 {107.N} 117.902 0.695 1.165 {107.H} 7.840 0.051 0.211 8826.834 15.650 0 0 2245 {107.H} 7.844 0.025 0.044 {107.N} 117.885 0.644 1.121 {106.H} 7.469 0.097 0.128 1884.374 15.383 0 0 2246 {107.H} 7.845 0.027 0.038 {107.N} 117.893 0.703 0.958 {108.H} 7.310 0.032 0.080 3453.481 8.738 0 0 2247 {?} 7.846 0.028 0.026 {?} 117.889 0.579 0.540 {?} 6.860 0.243 0.232 36.262 4.890 0 0 2248 {?} 7.845 0.027 0.046 {?} 117.908 0.543 1.005 {?} 6.532 0.073 0.107 68.855 12.906 0 0 2249 {?} 7.841 0.026 0.018 {?} 117.994 0.668 0.386 {?} 5.883 0.052 0.074 7.743 3.667 0 0 2250 {?} 8.345 0.035 0.043 {?} 118.060 0.597 0.779 {?} 4.997 0.132 0.165 115.832 6.989 0 0 2251 {?} 7.848 0.039 0.017 {?} 117.909 0.761 0.340 {?} 5.004 0.096 0.138 59.481 3.339 0 0 2252 {?} 7.840 0.033 0.063 {?} 117.944 0.672 1.135 {?} 4.738 0.083 0.171 250.751 15.929 0 0 2253 {?} 7.844 0.037 0.080 {?} 117.953 0.573 1.228 {?} 4.476 0.116 0.189 262.826 18.639 0 0 2254 {?} 7.848 0.033 0.052 {?} 117.825 0.706 1.013 {?} 4.279 0.105 0.151 113.208 10.057 0 0 2255 {39.H} 7.571 0.035 0.057 {39.N} 117.996 0.606 1.050 {37.HA} 4.121 0.141 0.209 49.992 12.261 0 0 2256 {107.H} 7.844 0.034 0.077 {107.N} 117.849 0.675 1.127 {105.HA} 3.991 0.066 0.184 826.437 15.313 0 0 2257 {?} 8.996 0.041 0.054 {?} 117.807 0.626 0.777 {?} 3.961 0.134 0.192 2.685 6.446 0 0 2258 {107.H} 7.844 0.032 0.055 {107.N} 117.875 0.518 1.011 {106.HA} 3.690 0.077 0.129 443.293 14.113 0 0 2259 {140.H} 8.995 0.037 0.066 {140.N} 117.781 0.556 0.930 {126.HD3} 3.446 0.103 0.165 106.695 9.928 0 0 2260 {?} 7.850 0.032 0.037 {?} 117.823 0.737 0.859 {?} 3.399 0.086 0.099 20.718 6.334 0 0 2261 {?} 7.845 0.031 0.053 {?} 117.981 0.645 1.060 {?} 3.217 0.151 0.227 73.285 12.098 0 0 2262 {?} 8.989 0.037 0.052 {?} 117.854 0.701 1.075 {?} 3.174 0.068 0.235 43.692 12.008 0 0 2263 {120.H} 8.352 0.034 0.103 {120.N} 118.017 0.526 1.347 {123.HB2} 2.998 0.147 0.211 192.789 56.599 0 0 2264 {?} 8.988 0.031 0.021 {?} 117.783 0.609 0.410 {?} 2.810 0.063 0.090 100.575 3.928 0 0 2265 {107.H} 7.844 0.035 0.097 {107.N} 117.891 0.505 1.321 {107.HB3} 2.687 0.147 0.211 3263.881 51.868 0 0 2266 {?} 7.842 0.037 0.103 {?} 117.892 0.549 1.225 {?} 2.458 0.115 0.201 323.540 22.200 0 0 2267 {?} 8.991 0.038 0.067 {?} 117.759 0.751 1.121 {?} 2.412 0.249 0.356 225.022 10.838 0 0 2268 {?} 7.575 0.033 0.121 {?} 118.050 0.674 1.454 {?} 2.039 0.097 0.171 3593.210 50.797 0 0 2269 {?} 7.842 0.035 0.054 {?} 117.865 0.556 0.916 {?} 1.958 0.134 0.192 229.100 9.817 0 0 2270 {?} 7.841 0.036 0.060 {?} 117.950 0.733 1.088 {?} 1.800 0.105 0.151 467.129 11.813 0 0 2271 {?} 8.208 0.035 0.063 {?} 118.047 0.549 0.903 {?} 1.555 0.113 0.271 254.885 10.524 0 0 2272 {?} 7.844 0.034 0.057 {?} 117.896 0.498 1.049 {?} 1.539 0.122 0.271 971.597 17.355 0 0 2273 {?} 7.843 0.032 0.103 {?} 117.863 0.653 1.407 {?} 1.436 0.099 0.271 825.799 49.873 0 0 2274 {?} 7.845 0.032 0.034 {?} 117.939 0.686 0.739 {?} 1.246 0.105 0.151 439.579 5.657 0 0 2275 {?} 7.578 0.033 0.064 {?} 117.978 0.664 1.926 {?} 1.063 0.080 0.115 282.308 170.513 0 0 2276 {?} 7.845 0.038 0.070 {?} 117.889 0.544 1.143 {?} 0.977 0.128 0.182 734.156 16.127 0 0 2277 {?} 7.845 0.033 0.111 {?} 117.905 0.653 1.368 {?} 0.827 0.133 0.256 1191.718 46.216 0 0 2278 {?} 7.577 0.033 0.111 {?} 117.971 0.653 1.368 {?} 0.767 0.133 0.256 198.322 46.216 0 0 2279 {107.H} 7.845 0.029 0.097 {107.N} 117.888 0.691 1.381 {106.HG21} 0.707 0.058 0.115 3513.695 38.023 0 0 2280 {107.H} 7.848 0.037 0.079 {107.N} 117.867 0.525 1.057 {132.HD23} 0.553 0.122 0.271 199.671 15.179 0 0 2281 {?} 7.845 0.035 0.068 {?} 117.892 0.521 1.120 {?} 0.276 0.067 0.169 550.539 18.741 0 0 2282 {107.H} 7.845 0.034 0.067 {107.N} 117.902 0.699 1.156 {152.HD12} -0.160 0.080 0.137 5.473 17.711 0 0 2283 {75.H} 7.357 0.034 0.080 {75.N} 117.756 0.505 1.246 {76.HD13} -0.486 0.201 0.356 169.445 27.428 0 0 2284 {140.H} 8.990 0.038 0.170 {140.N} 117.696 0.550 1.545 {139.H} 9.496 0.146 0.209 193.495 51.484 0 0 2285 {140.H} 8.991 0.032 0.049 {140.N} 117.683 0.636 1.043 {141.H} 9.338 0.056 0.107 42.141 10.822 0 0 2286 {140.H} 8.992 0.032 0.039 {140.N} 117.708 0.679 0.953 {140.H} 8.991 0.055 0.149 5770.384 7.351 0 0 2287 {?} 8.998 0.040 0.032 {?} 117.692 0.710 0.572 {?} 8.559 0.100 0.083 19.217 4.279 0 0 2288 {140.H} 8.991 0.040 0.032 {140.N} 117.686 0.710 0.572 {19.H} 8.149 0.100 0.083 93.702 4.279 0 0 2289 {?} 7.359 0.039 0.056 {?} 117.680 0.514 0.713 {?} 7.774 0.073 0.109 265.159 8.176 0 0 2290 {75.H} 7.361 0.034 0.031 {75.N} 117.665 0.868 0.813 {75.H} 7.372 0.068 0.065 28435.100 4.853 0 0 2291 {?} 8.994 0.031 0.034 {?} 117.622 0.626 0.684 {?} 7.221 0.048 0.053 15.809 5.749 0 0 2292 {75.H} 7.361 0.033 0.098 {75.N} 117.703 0.524 1.295 {76.H} 7.053 0.084 0.210 1825.410 46.930 0 0 2293 {140.H} 8.990 0.037 0.134 {140.N} 117.720 0.541 1.514 {128.H} 6.937 0.069 0.214 117.292 119.691 0 0 2294 {?} 7.362 0.027 0.031 {?} 117.702 0.782 0.899 {?} 6.554 0.052 0.061 223.508 6.305 0 0 2295 {75.H} 7.360 0.034 0.129 {75.N} 117.703 0.698 1.674 {74.H} 6.270 0.085 0.153 935.592 58.580 0 0 2296 {140.H} 8.993 0.029 0.049 {140.N} 117.691 0.705 1.034 {128.HD22} 5.802 0.096 0.137 529.879 11.033 0 0 2297 {?} 8.992 0.041 0.031 {?} 117.717 0.487 0.305 {?} 5.372 0.079 0.052 1637.856 3.792 0 0 2298 {?} 8.993 0.033 0.089 {?} 117.694 0.680 1.248 {?} 5.260 0.082 0.117 1350.166 28.603 0 0 2299 {?} 8.992 0.028 0.032 {?} 117.729 0.653 0.728 {?} 5.143 0.093 0.239 616.768 6.001 0 0 2300 {?} 8.994 0.045 0.011 {?} 117.716 0.653 0.132 {?} 5.008 0.133 0.040 539.029 2.901 0 0 2301 {?} 7.345 0.028 0.012 {?} 117.736 0.761 0.263 {?} 4.920 0.102 0.035 111.321 3.151 0 0 2302 {?} 8.994 0.030 0.056 {?} 117.676 0.646 1.077 {?} 4.871 0.093 0.175 404.565 14.308 0 0 2303 {140.H} 8.991 0.033 0.053 {140.N} 117.676 0.552 1.049 {140.HA} 4.771 0.067 0.117 731.308 13.320 0 0 2304 {?} 7.358 0.033 0.048 {?} 117.648 0.496 0.710 {?} 4.746 0.098 0.146 170.862 8.891 0 0 2305 {?} 7.363 0.040 0.016 {?} 117.698 0.737 0.322 {?} 4.568 0.098 0.111 260.176 3.332 0 0 2306 {39.H} 7.575 0.032 0.019 {39.N} 117.710 0.759 0.413 {38.HA} 4.411 0.160 0.099 121.269 3.501 0 0 2307 {?} 8.992 0.027 0.019 {?} 117.667 0.605 0.397 {?} 4.369 0.067 0.094 367.693 3.881 0 0 2308 {75.H} 7.362 0.051 0.043 {75.N} 117.655 0.758 0.676 {73.HA} 4.331 0.149 0.244 379.471 4.634 0 0 2309 {?} 8.991 0.014 0.008 {?} 117.743 0.680 0.370 {?} 4.210 0.173 0.098 209.170 3.581 0 0 2310 {75.H} 7.361 0.028 0.050 {75.N} 117.682 0.640 0.944 {75.HA} 3.826 0.076 0.114 1337.193 9.105 0 0 2311 {?} 8.993 0.028 0.006 {?} 117.735 0.750 0.062 {?} 3.720 0.078 0.065 135.271 2.712 0 0 2312 {140.H} 8.994 0.034 0.064 {140.N} 117.647 0.648 1.088 {126.HD2} 3.289 0.053 0.153 72.856 13.393 0 0 2313 {75.H} 7.361 0.030 0.033 {75.N} 117.694 0.834 0.900 {74.HB2} 3.053 0.105 0.151 983.334 5.833 0 0 2314 {75.H} 7.359 0.039 0.041 {75.N} 117.711 0.778 0.816 {74.HB3} 2.828 0.134 0.192 679.418 5.518 0 0 2315 {?} 8.992 0.024 0.017 {?} 117.708 0.775 0.493 {?} 2.568 0.116 0.147 235.497 3.814 0 0 2316 {?} 7.368 0.028 0.026 {?} 117.685 0.889 0.849 {?} 2.444 0.134 0.192 38.902 4.931 0 0 2317 {?} 8.994 0.027 0.033 {?} 117.697 0.721 0.913 {?} 2.249 0.112 0.253 866.361 6.829 0 0 2318 {?} 7.361 0.030 0.025 {?} 117.695 0.733 0.621 {?} 2.072 0.105 0.151 2801.909 4.490 0 0 2319 {?} 8.992 0.029 0.052 {?} 117.721 0.783 1.142 {?} 2.027 0.075 0.103 2411.746 10.782 0 0 2320 {?} 7.360 0.034 0.068 {?} 117.690 0.554 1.093 {?} 1.855 0.153 0.200 287.793 14.488 0 0 2321 {140.H} 8.992 0.035 0.055 {140.N} 117.689 0.732 0.978 {126.HG2} 1.749 0.073 0.102 935.576 8.562 0 0 2322 {140.H} 8.992 0.034 0.039 {140.N} 117.710 0.666 0.874 {139.HB1} 1.352 0.103 0.163 3183.218 7.108 0 0 2323 {?} 8.992 0.034 0.063 {?} 117.743 0.580 1.166 {?} 1.152 0.072 0.115 227.783 16.841 0 0 2324 {140.H 140.H} 8.992 0.031 0.037 {140.N 140.N} 117.703 0.539 0.628 {127.HG21 140.HG23} 0.935 0.096 0.108 3537.364 6.236 0 0 2325 {?} 7.361 0.026 0.017 {?} 117.679 0.531 0.268 {?} 0.902 0.086 0.042 4951.131 3.484 0 0 2326 {?} 8.992 0.035 0.083 {?} 117.708 0.638 1.244 {?} 0.763 0.144 0.235 1296.035 22.666 0 0 2327 {?} 7.360 0.034 0.073 {?} 117.694 0.675 1.152 {?} 0.598 0.100 0.187 3292.511 19.070 0 0 2328 {8.H} 7.964 0.037 0.043 {8.N} 117.260 0.628 0.765 {11.H} 8.844 0.112 0.131 152.827 6.356 0 0 2329 {8.H} 7.963 0.032 0.077 {8.N} 117.227 0.669 1.151 {8.H} 7.961 0.140 0.211 9084.915 19.122 0 0 2330 {?} 7.966 0.035 0.099 {?} 117.227 0.681 1.195 {?} 7.613 0.110 0.211 397.473 25.127 0 0 2331 {8.H} 7.964 0.036 0.108 {8.N} 117.211 0.532 1.305 {6.H} 7.417 0.119 0.170 1027.097 52.187 0 0 2332 {?} 7.963 0.036 0.057 {?} 117.212 0.673 1.089 {?} 7.076 0.103 0.157 625.721 10.526 0 0 2333 {8.H} 7.964 0.035 0.085 {8.N} 117.220 0.534 1.209 {8.HD1} 6.699 0.143 0.227 1317.283 27.311 0 0 2334 {?} 7.457 0.043 0.011 {?} 117.157 0.705 0.201 {?} 6.701 0.078 0.024 217.734 3.037 0 0 2335 {?} 7.963 0.035 0.034 {?} 117.220 0.771 0.755 {?} 6.520 0.075 0.074 894.572 5.089 0 0 2336 {?} 7.963 0.036 0.072 {?} 117.257 0.665 1.120 {?} 6.205 0.082 0.143 958.206 16.415 0 0 2337 {?} 7.968 0.043 0.050 {?} 117.211 0.695 0.863 {?} 5.933 0.064 0.081 504.633 6.484 0 0 2338 {?} 7.963 0.028 0.059 {?} 117.237 0.946 0.937 {?} 5.690 0.106 0.105 159.651 5.167 0 0 2339 {?} 7.457 0.038 0.062 {?} 117.182 0.550 1.094 {?} 5.651 0.162 0.270 118.347 14.297 0 0 2340 {?} 7.460 0.035 0.054 {?} 117.150 0.507 0.697 {?} 5.464 0.096 0.137 210.031 8.227 0 0 2341 {?} 7.962 0.033 0.050 {?} 117.209 0.693 1.036 {?} 5.447 0.095 0.145 561.072 10.899 0 0 2342 {?} 7.968 0.037 0.124 {?} 117.158 0.529 1.349 {?} 5.314 0.072 0.103 173.251 95.083 0 0 2343 {?} 7.968 0.035 0.068 {?} 117.208 0.710 1.053 {?} 4.942 0.094 0.140 399.710 11.033 0 0 2344 {124.H} 7.461 0.033 0.059 {124.N} 117.141 0.683 1.011 {123.HA} 4.751 0.067 0.106 483.187 11.256 0 0 2345 {?} 7.967 0.030 0.062 {?} 117.229 0.721 1.112 {?} 4.655 0.081 0.136 884.902 13.622 0 0 2346 {?} 8.238 0.031 0.040 {?} 117.190 0.502 0.675 {?} 4.438 0.058 0.079 584.781 7.977 0 0 2347 {8.H} 7.963 0.033 0.088 {8.N} 117.244 0.693 1.372 {6.HA} 4.414 0.074 0.173 230.156 34.091 0 0 2348 {8.H} 7.964 0.033 0.149 {8.N} 117.229 0.703 1.716 {8.HA} 4.007 0.082 0.150 1606.179 136.853 0 0 2349 {?} 7.964 0.033 0.149 {?} 117.228 0.703 1.716 {?} 3.533 0.082 0.150 1383.356 136.853 0 0 2350 {8.H} 7.964 0.034 0.056 {8.N} 117.219 0.586 1.137 {8.HB2} 3.274 0.085 0.147 3558.932 14.605 0 0 2351 {8.H} 7.963 0.035 0.163 {8.N} 117.228 0.747 2.055 {8.HB3} 2.994 0.103 0.204 1959.946 130.834 0 0 2352 {?} 7.460 0.034 0.108 {?} 117.177 0.706 1.552 {?} 2.300 0.105 0.151 179.771 62.160 0 0 2353 {8.H} 7.963 0.028 0.028 {8.N} 117.229 0.619 0.617 {4.HB3} 1.945 0.095 0.095 249.896 5.190 0 0 2354 {?} 7.963 0.040 0.133 {?} 117.223 0.832 1.590 {?} 1.622 0.082 0.174 2391.294 134.939 0 0 2355 {?} 7.963 0.040 0.133 {?} 117.215 0.832 1.590 {?} 1.345 0.082 0.174 625.580 134.939 0 0 2356 {8.H} 7.964 0.056 0.175 {8.N} 117.207 0.581 1.650 {4.HG2} 1.068 0.094 0.158 371.849 142.003 0 0 2357 {8.H} 7.963 0.056 0.175 {8.N} 117.227 0.581 1.650 {7.HB3} 0.823 0.094 0.158 1107.609 142.003 0 0 2358 {?} 7.962 0.025 0.058 {?} 117.215 0.532 1.349 {?} 0.533 0.054 0.109 362.131 41.342 0 0 2359 {?} 7.963 0.022 0.018 {?} 117.228 0.766 0.582 {?} 0.241 0.048 0.087 1841.934 4.239 0 0 2360 {?} 7.964 0.035 0.086 {?} 117.198 0.768 1.955 {?} -0.055 0.082 0.185 383.067 42.994 0 0 2361 {?} 7.460 0.036 0.121 {?} 117.060 0.581 1.354 {?} 9.135 0.093 0.133 78.369 44.821 0 0 2362 {109.H} 8.236 0.036 0.082 {109.N} 116.946 0.583 1.268 {110.H} 8.844 0.103 0.271 1451.366 23.403 0 0 2363 {?} 7.461 0.037 0.088 {?} 117.102 0.673 1.359 {?} 8.555 0.150 0.214 1265.111 38.296 0 0 2364 {?} 8.236 0.025 0.023 {?} 116.900 0.961 0.903 {?} 7.883 0.119 0.110 1404.895 4.787 0 0 2365 {124.H} 7.461 0.031 0.021 {124.N} 117.092 0.838 0.555 {124.H} 7.465 0.180 0.108 22073.477 3.824 0 0 2366 {74.H 74.H 74.H} 6.273 0.026 0.037 {74.N 74.N 74.N} 116.948 0.851 1.040 {72.H 75.H 77.H} 7.368 0.105 0.151 75.923 7.183 0 0 2367 {?} 7.462 0.014 0.041 {?} 117.055 0.632 0.827 {?} 7.222 0.190 0.271 1016.101 7.168 0 0 2368 {?} 7.460 0.031 0.035 {?} 117.088 0.825 0.868 {?} 6.978 0.140 0.146 312.389 5.569 0 0 2369 {?} 7.460 0.038 0.024 {?} 117.069 0.573 0.314 {?} 6.872 0.072 0.103 129.637 3.591 0 0 2370 {?} 7.458 0.038 0.046 {?} 117.035 0.725 0.897 {?} 6.599 0.103 0.130 158.234 7.052 0 0 2371 {?} 7.457 0.026 0.037 {?} 116.869 0.671 0.842 {?} 6.449 0.069 0.180 74.330 6.807 0 0 2372 {?} 7.455 0.015 0.042 {?} 116.962 0.553 0.721 {?} 6.305 0.068 0.181 29.372 7.240 0 0 2373 {74.H} 6.278 0.034 0.064 {74.N} 116.968 0.613 1.235 {74.H} 6.272 0.099 0.156 499.179 14.729 0 0 2374 {124.H} 7.462 0.039 0.059 {124.N} 117.083 0.682 1.200 {142.HE21} 6.138 0.141 0.239 772.662 12.780 0 0 2375 {?} 7.458 0.046 0.049 {?} 117.072 0.533 0.588 {?} 5.311 0.147 0.211 222.554 5.810 0 0 2376 {?} 7.466 0.042 0.054 {?} 117.013 0.719 0.956 {?} 5.166 0.170 0.271 282.206 7.844 0 0 2377 {?} 7.460 0.045 0.050 {?} 117.050 0.731 0.852 {?} 5.087 0.232 0.331 105.948 6.182 0 0 2378 {124.H} 7.461 0.029 0.018 {124.N} 117.068 0.955 0.492 {122.HA} 4.306 0.230 0.328 1618.792 3.492 0 0 2379 {109.H} 8.235 0.014 0.027 {109.N} 116.959 1.210 1.080 {109.HB} 3.891 0.190 0.271 1935.061 4.457 0 0 2380 {124.H} 7.461 0.016 0.022 {124.N} 117.082 0.873 0.586 {124.HB2} 3.667 0.190 0.271 1399.535 3.737 0 0 2381 {?} 7.460 0.024 0.005 {?} 117.013 0.935 0.144 {?} 3.112 0.079 0.068 68.008 2.810 0 0 2382 {74.H} 6.268 0.026 0.021 {74.N} 116.942 1.099 0.871 {74.HB2} 3.057 0.105 0.151 203.218 4.115 0 0 2383 {124.H} 7.461 0.034 0.028 {124.N} 117.084 0.986 0.775 {123.HB2} 2.948 0.131 0.102 842.788 4.091 0 0 2384 {74.H 74.H} 6.277 0.014 0.024 {74.N 74.N} 116.984 0.851 0.729 {73.HB3 74.HB3} 2.839 0.232 0.331 160.840 4.256 0 0 2385 {109.H} 8.236 0.035 0.030 {109.N} 116.956 0.813 0.638 {108.HB2} 2.830 0.147 0.211 534.245 4.263 0 0 2386 {?} 7.462 0.031 0.027 {?} 117.110 0.624 0.540 {?} 2.493 0.142 0.272 871.710 4.596 0 0 2387 {124.H} 7.461 0.034 0.034 {124.N} 117.068 0.718 0.711 {142.HB2} 2.116 0.147 0.211 61.348 5.165 0 0 2388 {?} 7.461 0.032 0.028 {?} 117.106 0.679 0.551 {?} 1.577 0.058 0.114 1119.835 4.358 0 0 2389 {?} 7.461 0.038 0.038 {?} 117.104 0.705 0.715 {?} 1.462 0.134 0.192 1343.838 5.294 0 0 2390 {109.H} 8.235 0.029 0.025 {109.N} 116.953 0.644 0.552 {109.HG21} 1.256 0.147 0.211 5100.400 4.563 0 0 2391 {?} 7.461 0.037 0.032 {?} 117.089 0.549 0.480 {?} 0.908 0.147 0.211 2036.639 4.631 0 0 2392 {74.H 74.H} 6.280 0.035 0.040 {74.N 74.N} 116.943 0.694 0.986 {75.HG21 75.HG22} 0.913 0.118 0.168 28.016 6.194 0 0 2393 {?} 7.461 0.012 0.031 {?} 117.090 0.556 0.667 {?} 0.796 0.147 0.211 2362.017 6.520 0 0 2394 {?} 7.071 0.038 0.053 {?} 116.651 0.757 1.203 {?} 9.681 0.147 0.211 153.460 10.518 0 0 2395 {53.H 70.H 73.H 109.H 149.H} 8.234 0.039 0.059 {53.N 70.N 73.N 109.N 149.N} 116.677 0.729 1.015 {53.H 70.H 73.H 109.H 149.H} 8.242 0.135 0.266 19602.211 8.882 0 0 2396 {88.H} 6.951 0.028 0.050 {88.N} 116.528 0.693 1.122 {89.H} 7.819 0.038 0.111 1365.414 12.832 0 0 2397 {133.H} 7.071 0.040 0.044 {133.N} 116.603 0.803 0.937 {132.H} 7.682 0.040 0.048 2389.621 6.476 0 0 2398 {?} 6.950 0.036 0.084 {?} 116.635 0.508 1.100 {?} 7.553 0.132 0.192 147.036 30.128 0 0 2399 {?} 8.239 0.034 0.056 {?} 116.636 0.578 0.877 {?} 7.316 0.094 0.137 3401.448 8.518 0 0 2400 {133.H 152.H} 7.072 0.033 0.075 {133.N 152.N} 116.582 0.574 1.237 {133.H 152.H} 7.078 0.065 0.126 16222.990 29.136 0 0 2401 {88.H} 6.951 0.036 0.041 {88.N} 116.560 0.731 0.911 {88.H} 6.946 0.051 0.127 3160.705 6.743 0 0 2402 {?} 8.234 0.060 0.130 {?} 116.505 0.564 1.285 {?} 6.733 0.108 0.182 281.824 31.820 0 0 2403 {?} 6.951 0.032 0.047 {?} 116.570 0.543 0.877 {?} 6.704 0.083 0.136 209.698 10.091 0 0 2404 {?} 7.070 0.031 0.065 {?} 116.555 0.744 1.321 {?} 6.178 0.088 0.180 226.198 21.045 0 0 2405 {?} 7.071 0.040 0.111 {?} 116.553 0.692 1.653 {?} 5.429 0.118 0.211 255.843 54.088 0 0 2406 {?} 7.072 0.032 0.045 {?} 116.609 0.649 0.858 {?} 5.311 0.110 0.133 757.294 7.550 0 0 2407 {?} 7.073 0.036 0.100 {?} 116.558 0.684 1.537 {?} 5.167 0.094 0.177 651.945 44.360 0 0 2408 {?} 8.235 0.035 0.063 {?} 116.735 0.796 1.157 {?} 4.986 0.095 0.134 1133.049 11.192 0 0 2409 {?} 7.070 0.034 0.079 {?} 116.528 0.545 1.142 {?} 4.877 0.083 0.152 446.432 22.733 0 0 2410 {?} 8.235 0.033 0.041 {?} 116.596 0.753 0.899 {?} 4.659 0.105 0.151 1933.087 6.568 0 0 2411 {?} 8.235 0.033 0.078 {?} 116.612 0.553 1.157 {?} 4.551 0.073 0.161 1710.015 20.960 0 0 2412 {88.H} 6.949 0.034 0.047 {88.N} 116.503 0.910 1.331 {87.HA} 4.290 0.098 0.130 323.330 7.789 0 0 2413 {?} 7.072 0.034 0.096 {?} 116.598 0.714 1.459 {?} 3.745 0.099 0.163 1210.036 39.197 0 0 2414 {133.H} 7.071 0.028 0.026 {133.N} 116.609 0.576 0.499 {132.HA} 3.538 0.124 0.105 2857.781 4.603 0 0 2415 {?} 6.949 0.035 0.114 {?} 116.543 0.748 1.658 {?} 3.520 0.136 0.216 291.205 52.459 0 0 2416 {133.H 133.H} 7.071 0.027 0.039 {133.N 133.N} 116.615 0.578 0.823 {103.HB2 134.HA} 3.336 0.190 0.271 561.857 7.991 0 0 2417 {?} 6.957 0.034 0.089 {?} 116.581 0.646 1.671 {?} 3.332 0.090 0.128 31.963 35.627 0 0 2418 {?} 7.071 0.034 0.080 {?} 116.647 0.784 1.329 {?} 3.114 0.121 0.301 282.544 19.780 0 0 2419 {?} 7.070 0.031 0.029 {?} 116.573 0.576 0.529 {?} 2.972 0.061 0.125 345.973 4.823 0 0 2420 {88.H} 6.950 0.041 0.129 {88.N} 116.568 0.675 1.740 {88.HG2} 2.826 0.075 0.154 2474.937 81.186 0 0 2421 {?} 7.071 0.029 0.027 {?} 116.622 0.558 0.508 {?} 2.743 0.054 0.049 1351.063 4.785 0 0 2422 {?} 7.071 0.037 0.053 {?} 116.596 0.671 0.961 {?} 2.480 0.043 0.139 487.043 9.054 0 0 2423 {?} 8.234 0.030 0.057 {?} 116.761 0.665 1.317 {?} 2.450 0.123 0.328 1899.457 16.866 0 0 2424 {?} 6.951 0.034 0.081 {?} 116.547 0.779 1.378 {?} 2.458 0.078 0.150 1134.427 20.408 0 0 2425 {133.H 133.H} 7.071 0.047 0.053 {133.N 133.N} 116.591 0.720 0.853 {131.HB2 132.HB2} 2.241 0.052 0.126 2328.012 6.082 0 0 2426 {?} 6.951 0.030 0.045 {?} 116.541 0.620 0.975 {?} 2.223 0.152 0.301 6069.285 8.281 0 0 2427 {?} 7.071 0.034 0.114 {?} 116.586 0.595 0.850 {?} 1.993 0.080 0.318 2701.524 70.482 0 0 2428 {?} 6.950 0.034 0.114 {?} 116.579 0.595 0.850 {?} 1.971 0.080 0.318 877.906 70.482 0 0 2429 {133.H} 7.071 0.033 0.103 {133.N} 116.604 0.567 1.258 {133.HB3} 1.748 0.101 0.160 5910.795 31.968 0 0 2430 {?} 6.949 0.026 0.024 {?} 116.613 0.699 0.655 {?} 1.700 0.069 0.065 78.542 4.912 0 0 2431 {133.H 152.H} 7.072 0.034 0.085 {133.N 152.N} 116.568 0.595 1.218 {133.HD2 152.HB3} 1.427 0.076 0.159 4238.930 22.929 0 0 2432 {?} 6.951 0.035 0.127 {?} 116.515 0.567 1.336 {?} 1.425 0.122 0.245 296.941 44.562 0 0 2433 {?} 6.949 0.033 0.085 {?} 116.551 0.570 1.308 {?} 1.146 0.080 0.175 111.284 36.426 0 0 2434 {133.H} 7.070 0.029 0.045 {133.N} 116.632 0.576 0.851 {132.HG} 1.131 0.077 0.099 579.355 8.318 0 0 2435 {88.H} 6.949 0.023 0.013 {88.N} 116.545 0.913 0.441 {56.HD12} 1.020 0.093 0.044 131.056 3.332 0 0 2436 {?} 6.949 0.029 0.057 {?} 116.542 0.533 1.099 {?} 0.787 0.060 0.109 282.572 16.909 0 0 2437 {?} 7.071 0.029 0.069 {?} 116.584 0.526 1.321 {?} 0.578 0.073 0.105 1264.292 45.631 0 0 2438 {?} 7.072 0.034 0.060 {?} 116.560 0.566 1.070 {?} 0.211 0.105 0.151 33.908 13.981 0 0 2439 {53.H} 8.234 0.029 0.098 {53.N} 116.361 0.539 2.321 {51.H} 9.111 0.073 0.105 154.724 156.093 0 0 2440 {149.H} 8.249 0.021 0.004 {149.N} 116.326 0.810 0.155 {148.H} 8.681 0.057 0.042 1244.553 2.870 0 0 2441 {70.H} 8.249 0.028 0.022 {70.N} 116.278 0.851 0.641 {69.H} 8.496 0.147 0.211 251.640 4.188 0 0 2442 {53.H} 8.233 0.032 0.020 {53.N} 116.485 0.717 0.414 {52.H} 7.689 0.147 0.211 1676.278 3.658 0 0 2443 {?} 6.950 0.033 0.034 {?} 116.475 0.540 0.569 {?} 7.156 0.055 0.124 1221.918 5.508 0 0 2444 {70.H} 8.228 0.029 0.025 {70.N} 116.249 0.743 0.582 {71.H} 7.082 0.190 0.271 2873.540 4.330 0 0 2445 {?} 8.246 0.032 0.024 {?} 116.372 0.648 0.500 {?} 6.520 0.105 0.151 680.903 4.246 0 0 2446 {73.H} 8.242 0.028 0.028 {73.N} 116.408 0.852 0.829 {74.H} 6.255 0.147 0.211 700.505 5.045 0 0 2447 {?} 6.951 0.033 0.038 {?} 116.479 0.586 0.681 {?} 6.177 0.147 0.211 38.674 6.221 0 0 2448 {?} 7.076 0.030 0.037 {?} 116.468 0.527 0.628 {?} 6.029 0.075 0.186 545.602 6.449 0 0 2449 {?} 8.238 0.030 0.059 {?} 116.464 0.524 1.106 {?} 5.884 0.105 0.198 160.250 19.578 0 0 2450 {?} 7.088 0.031 0.034 {?} 116.210 0.577 0.637 {?} 5.894 0.095 0.105 268.465 5.816 0 0 2451 {?} 8.247 0.035 0.021 {?} 116.300 0.743 0.368 {?} 5.736 0.078 0.095 258.187 3.470 0 0 2452 {?} 7.088 0.029 0.029 {?} 116.278 0.523 0.541 {?} 5.726 0.079 0.192 297.086 5.401 0 0 2453 {?} 8.236 0.028 0.076 {?} 116.430 0.549 1.370 {?} 5.470 0.110 0.220 626.047 54.011 0 0 2454 {?} 7.078 0.028 0.060 {?} 116.452 0.567 1.209 {?} 4.635 0.102 0.146 820.862 17.214 0 0 2455 {?} 7.085 0.031 0.074 {?} 116.256 0.547 1.652 {?} 4.517 0.088 0.205 927.338 48.477 0 0 2456 {70.H} 8.231 0.022 0.018 {70.N} 116.287 0.577 0.429 {70.HA} 4.264 0.126 0.104 1157.126 4.151 0 0 2457 {?} 8.251 0.032 0.050 {?} 116.299 0.537 0.929 {?} 3.609 0.207 0.289 479.229 11.010 0 0 2458 {?} 8.234 0.033 0.051 {?} 116.383 0.540 1.031 {?} 3.422 0.078 0.149 1494.440 13.563 0 0 2459 {149.H} 8.250 0.039 0.037 {149.N} 116.270 0.646 0.616 {148.HB3} 3.298 0.096 0.137 1289.826 4.977 0 0 2460 {?} 6.948 0.029 0.069 {?} 116.478 0.543 1.307 {?} 3.180 0.045 0.140 170.999 36.560 0 0 2461 {53.H} 8.232 0.028 0.065 {53.N} 116.450 0.544 1.313 {51.HB2} 3.016 0.105 0.151 1311.275 31.001 0 0 2462 {?} 8.247 0.028 0.009 {?} 116.345 0.764 0.223 {?} 2.268 0.062 0.075 3958.959 3.058 0 0 2463 {?} 8.230 0.035 0.041 {?} 116.320 0.603 0.732 {?} 2.092 0.072 0.083 14226.500 6.388 0 0 2464 {?} 8.127 0.028 0.015 {?} 116.252 0.846 0.369 {?} 2.059 0.075 0.040 456.519 3.286 0 0 2465 {?} 8.136 0.029 0.049 {?} 116.324 0.703 1.073 {?} 1.767 0.109 0.356 150.001 11.435 0 0 2466 {70.H} 8.231 0.029 0.049 {70.N} 116.327 0.703 1.073 {69.HB2} 1.754 0.109 0.356 6463.560 11.435 0 0 2467 {?} 8.128 0.034 0.088 {?} 116.374 0.713 1.330 {?} 1.511 0.098 0.140 313.820 38.788 0 0 2468 {?} 8.232 0.034 0.113 {?} 116.401 0.660 0.942 {?} 1.475 0.089 0.166 8513.559 217.346 0 0 2469 {149.H 149.H} 8.251 0.034 0.113 {149.N 149.N} 116.301 0.660 0.942 {149.HD11 149.HD12} 1.005 0.089 0.166 2651.847 217.346 0 0 2470 {149.H} 8.251 0.053 0.076 {149.N} 116.300 0.800 0.705 {149.HD23} 0.553 0.068 0.059 1678.095 4.598 0 0 2471 {?} 8.256 0.023 0.043 {?} 116.271 0.720 0.620 {?} 0.214 0.075 0.064 62.465 4.587 0 0 2472 {165.H} 7.597 0.024 0.037 {165.N} 115.992 0.620 0.919 {161.H} 9.248 0.105 0.151 58.767 9.885 0 0 2473 {165.H} 7.603 0.027 0.027 {165.N} 115.976 0.850 0.837 {160.H} 8.700 0.051 0.110 1167.908 5.112 0 0 2474 {165.H} 7.601 0.019 0.009 {165.N} 115.958 0.431 0.203 {162.H} 8.348 0.074 0.036 95.911 3.411 0 0 2475 {152.H} 7.092 0.026 0.051 {152.N} 116.106 0.573 1.166 {150.H} 8.303 0.094 0.165 228.562 17.394 0 0 2476 {152.H} 7.094 0.036 0.052 {152.N} 116.086 0.673 0.936 {151.H} 8.119 0.105 0.151 1313.547 8.598 0 0 2477 {152.H} 7.094 0.024 0.008 {152.N} 116.095 0.808 0.194 {154.H} 7.990 0.132 0.034 804.715 2.957 0 0 2478 {165.H} 7.603 0.021 0.017 {165.N} 115.981 0.836 0.704 {164.H} 7.926 0.190 0.271 1933.517 4.252 0 0 2479 {152.H} 7.094 0.033 0.023 {152.N} 116.097 0.715 0.481 {153.H} 7.872 0.147 0.211 2845.025 3.863 0 0 2480 {165.H} 7.603 0.031 0.020 {165.N} 115.979 0.957 0.565 {165.H} 7.605 0.134 0.192 8506.159 3.646 0 0 2481 {?} 7.392 0.036 0.035 {?} 115.904 0.627 0.586 {?} 7.603 0.086 0.172 58.644 4.891 0 0 2482 {?} 7.094 0.035 0.028 {?} 116.092 0.910 0.772 {?} 7.273 0.128 0.219 1054.475 4.206 0 0 2483 {?} 7.605 0.023 0.019 {?} 116.012 0.750 0.565 {?} 7.228 0.136 0.109 306.047 4.157 0 0 2484 {?} 7.601 0.035 0.050 {?} 115.946 0.616 0.936 {?} 7.053 0.105 0.151 399.600 8.848 0 0 2485 {?} 7.602 0.038 0.045 {?} 115.947 0.679 0.903 {?} 6.922 0.105 0.151 301.378 7.198 0 0 2486 {?} 7.603 0.034 0.043 {?} 115.972 0.614 0.771 {?} 6.569 0.105 0.151 275.914 6.767 0 0 2487 {?} 7.094 0.032 0.038 {?} 116.106 0.742 0.869 {?} 6.579 0.134 0.192 1143.379 6.676 0 0 2488 {?} 7.604 0.025 0.021 {?} 116.022 0.872 0.784 {?} 6.391 0.134 0.192 174.338 4.551 0 0 2489 {?} 7.096 0.031 0.052 {?} 116.086 0.689 1.053 {?} 6.331 0.120 0.142 445.010 11.369 0 0 2490 {?} 7.599 0.030 0.078 {?} 116.023 0.711 1.382 {?} 6.126 0.100 0.185 233.876 37.122 0 0 2491 {?} 7.603 0.029 0.063 {?} 116.034 0.557 1.281 {?} 5.901 0.084 0.174 172.041 30.073 0 0 2492 {?} 7.601 0.032 0.057 {?} 116.001 0.668 1.095 {?} 5.666 0.105 0.151 225.201 14.482 0 0 2493 {?} 7.598 0.034 0.068 {?} 116.047 0.709 1.195 {?} 5.520 0.147 0.211 84.588 19.103 0 0 2494 {?} 7.601 0.028 0.059 {?} 115.970 0.553 1.196 {?} 5.284 0.159 0.279 115.027 22.694 0 0 2495 {?} 7.095 0.027 0.039 {?} 116.133 0.817 0.991 {?} 4.913 0.062 0.171 421.041 7.041 0 0 2496 {?} 7.601 0.031 0.102 {?} 115.935 0.719 1.696 {?} 4.666 0.137 0.195 192.420 84.382 0 0 2497 {?} 7.604 0.031 0.095 {?} 115.997 0.713 1.651 {?} 4.296 0.105 0.151 788.749 74.243 0 0 2498 {152.H} 7.094 0.018 0.043 {152.N} 116.079 0.822 0.936 {152.HA} 4.289 0.076 0.088 840.329 6.234 0 0 2499 {165.H 165.H 165.H} 7.603 0.031 0.089 {165.N 165.N 165.N} 115.979 0.716 1.366 {161.HA 163.HA 166.HA} 4.159 0.105 0.151 513.044 39.600 0 0 2500 {152.H} 7.094 0.032 0.071 {152.N} 116.081 0.710 1.208 {151.HA} 4.021 0.080 0.127 552.550 24.644 0 0 2501 {165.H} 7.603 0.032 0.071 {165.N} 115.976 0.710 1.208 {164.HA} 3.880 0.080 0.127 2309.604 24.644 0 0 2502 {165.H} 7.603 0.029 0.050 {165.N} 115.968 0.775 1.172 {160.HB2} 2.973 0.114 0.157 909.281 13.085 0 0 2503 {?} 7.602 0.025 0.015 {?} 115.986 0.783 0.424 {?} 2.550 0.047 0.080 962.517 3.643 0 0 2504 {?} 7.603 0.025 0.015 {?} 115.977 0.783 0.424 {?} 2.341 0.047 0.080 1533.696 3.643 0 0 2505 {?} 7.603 0.031 0.075 {?} 115.988 0.748 1.322 {?} 2.110 0.118 0.176 2357.233 24.136 0 0 2506 {?} 7.603 0.031 0.053 {?} 115.987 0.573 1.120 {?} 1.912 0.098 0.140 2301.681 16.037 0 0 2507 {165.H} 7.602 0.031 0.053 {165.N} 115.979 0.573 1.120 {165.HB3} 1.636 0.098 0.140 1580.784 16.037 0 0 2508 {152.H} 7.094 0.032 0.032 {152.N} 116.097 0.739 0.757 {152.HB2} 1.537 0.068 0.069 3584.461 5.358 0 0 2509 {152.H} 7.093 0.032 0.032 {152.N} 116.113 0.739 0.757 {152.HG} 1.259 0.068 0.069 2303.341 5.358 0 0 2510 {165.H} 7.603 0.038 0.137 {165.N} 115.975 0.697 1.658 {163.HB2} 1.222 0.084 0.227 1329.285 79.443 0 0 2511 {?} 7.603 0.038 0.137 {?} 115.983 0.697 1.658 {?} 0.921 0.084 0.227 1685.131 79.443 0 0 2512 {?} 7.093 0.037 0.112 {?} 116.108 0.695 1.473 {?} 0.853 0.067 0.178 4074.299 46.307 0 0 2513 {?} 7.603 0.031 0.065 {?} 115.971 0.667 1.301 {?} 0.601 0.078 0.147 811.743 22.997 0 0 2514 {152.H 152.H} 7.093 0.038 0.059 {152.N 152.N} 116.081 0.695 1.064 {152.HD22 152.HD23} 0.388 0.063 0.111 1562.123 12.960 0 0 2515 {?} 7.094 0.030 0.026 {?} 116.082 0.606 0.497 {?} -0.160 0.086 0.064 1127.081 4.423 0 0 2516 {165.H} 7.603 0.028 0.038 {165.N} 115.974 0.788 1.014 {159.HG13} -0.401 0.081 0.099 977.763 7.764 0 0 2517 {101.H} 6.051 0.033 0.030 {101.N} 115.632 0.831 0.797 {47.H} 9.692 0.084 0.080 18.788 4.956 0 0 2518 {?} 7.995 0.025 0.021 {?} 115.610 0.841 0.704 {?} 7.993 0.081 0.070 335.489 4.325 0 0 2519 {101.H} 6.050 0.038 0.097 {101.N} 115.678 0.708 1.752 {100.H} 8.001 0.084 0.123 451.385 78.958 0 0 2520 {101.H} 6.050 0.034 0.029 {101.N} 115.690 0.684 0.487 {104.H} 7.800 0.073 0.052 291.106 4.049 0 0 2521 {?} 6.052 0.037 0.097 {?} 115.649 0.703 1.846 {?} 7.696 0.078 0.111 371.164 56.035 0 0 2522 {?} 6.048 0.037 0.097 {?} 115.670 0.703 1.846 {?} 7.529 0.078 0.111 721.823 56.035 0 0 2523 {?} 7.398 0.028 0.018 {?} 115.814 0.743 0.415 {?} 7.409 0.105 0.151 1001.959 3.661 0 0 2524 {?} 6.050 0.027 0.046 {?} 115.627 0.733 1.024 {?} 7.083 0.094 0.136 259.346 9.677 0 0 2525 {?} 6.048 0.030 0.021 {?} 115.681 0.492 0.313 {?} 6.536 0.057 0.036 167.875 3.821 0 0 2526 {101.H} 6.050 0.037 0.041 {101.N} 115.678 0.619 0.698 {101.H} 6.060 0.144 0.206 4005.273 6.007 0 0 2527 {101.H} 6.050 0.032 0.119 {101.N} 115.677 0.700 2.406 {102.H} 5.914 0.077 0.211 693.795 84.617 0 0 2528 {?} 6.049 0.016 0.021 {?} 115.682 0.704 0.271 {?} 5.312 0.064 0.024 93.749 3.196 0 0 2529 {?} 6.050 0.026 0.084 {?} 115.689 0.686 1.427 {?} 5.083 0.061 0.162 51.755 40.616 0 0 2530 {?} 7.597 0.038 0.054 {?} 115.817 0.674 1.030 {?} 5.037 0.111 0.171 122.154 10.483 0 0 2531 {101.H} 6.046 0.031 0.067 {101.N} 115.753 0.708 1.229 {101.HA} 4.701 0.121 0.211 28.770 26.766 0 0 2532 {?} 6.047 0.028 0.079 {?} 115.740 0.615 0.981 {?} 4.127 0.105 0.142 355.935 8.214 0 0 2533 {?} 7.399 0.032 0.027 {?} 115.751 0.734 0.628 {?} 4.108 0.098 0.085 2.611 4.546 0 0 2534 {?} 6.049 0.027 0.062 {?} 115.661 0.750 2.054 {?} 3.744 0.071 0.175 652.534 47.802 0 0 2535 {101.H} 6.050 0.032 0.068 {101.N} 115.679 0.691 1.211 {100.HA} 3.358 0.103 0.153 2631.417 25.807 0 0 2536 {?} 6.050 0.034 0.016 {?} 115.704 0.736 0.368 {?} 2.745 0.112 0.070 204.758 3.458 0 0 2537 {?} 6.050 0.035 0.067 {?} 115.718 0.711 1.093 {?} 2.570 0.089 0.167 255.496 13.450 0 0 2538 {?} 7.396 0.040 0.062 {?} 115.767 0.661 0.855 {?} 2.211 0.103 0.142 75.681 7.989 0 0 2539 {101.H} 6.050 0.042 0.170 {101.N} 115.679 0.667 0.953 {46.HB3} 2.146 0.080 0.152 1946.357 280.055 0 0 2540 {?} 6.049 0.042 0.170 {?} 115.612 0.667 0.953 {?} 1.777 0.080 0.152 406.480 280.055 0 0 2541 {?} 6.050 0.039 0.022 {?} 115.676 0.902 0.484 {?} 1.446 0.112 0.064 2465.552 3.381 0 0 2542 {?} 6.050 0.027 0.127 {?} 115.672 0.712 1.017 {?} 1.164 0.081 0.134 1913.599 230.630 0 0 2543 {?} 6.050 0.037 0.100 {?} 115.677 0.668 1.265 {?} 0.848 0.070 0.100 4514.255 30.380 0 0 2544 {?} 6.050 0.028 0.060 {?} 115.674 0.558 1.173 {?} 0.496 0.147 0.211 1837.348 19.874 0 0 2545 {?} 7.782 0.040 0.070 {?} 115.334 0.681 1.108 {?} 9.476 0.073 0.105 61.215 15.716 0 0 2546 {146.H} 8.434 0.028 0.022 {146.N} 115.412 0.786 0.559 {145.H} 9.053 0.063 0.090 1178.134 3.972 0 0 2547 {146.H} 8.434 0.020 0.049 {146.N} 115.394 0.624 0.716 {143.H} 8.826 0.070 0.082 309.504 6.053 0 0 2548 {146.H} 8.436 0.020 0.049 {146.N} 115.413 0.624 0.716 {148.H} 8.692 0.070 0.082 363.741 6.053 0 0 2549 {64.H} 8.188 0.037 0.056 {64.N} 115.385 0.661 0.936 {63.H} 8.637 0.076 0.105 194.272 9.647 0 0 2550 {146.H} 8.434 0.037 0.056 {146.N} 115.416 0.661 0.936 {146.H} 8.451 0.076 0.105 4557.912 9.647 0 0 2551 {?} 8.434 0.024 0.064 {?} 115.425 0.707 1.266 {?} 8.291 0.137 0.211 174.938 17.720 0 0 2552 {64.H 99.H} 8.220 0.025 0.018 {64.N 99.N} 115.513 0.910 0.699 {64.H 99.H} 8.230 0.134 0.192 18949.398 3.966 0 0 2553 {78.H} 7.779 0.028 0.035 {78.N} 115.438 0.808 0.956 {79.H} 8.150 0.147 0.211 197.797 6.638 0 0 2554 {99.H} 8.220 0.041 0.041 {99.N} 115.427 0.656 0.664 {100.H} 8.002 0.100 0.143 2066.090 5.289 0 0 2555 {?} 8.219 0.027 0.208 {?} 115.420 0.660 1.656 {?} 7.779 0.094 0.162 1068.888 61.752 0 0 2556 {78.H} 7.779 0.035 0.038 {78.N} 115.388 0.574 0.656 {78.H} 7.774 0.097 0.139 5408.277 6.090 0 0 2557 {64.H} 8.192 0.032 0.025 {64.N} 115.392 0.747 0.512 {65.H} 7.672 0.183 0.138 816.205 4.009 0 0 2558 {?} 7.778 0.030 0.077 {?} 115.408 0.749 1.474 {?} 7.551 0.115 0.164 466.977 28.612 0 0 2559 {91.H} 7.338 0.039 0.071 {91.N} 115.258 0.632 1.061 {92.H} 7.532 0.105 0.151 2829.436 13.912 0 0 2560 {78.H} 7.779 0.039 0.054 {78.N} 115.390 0.660 0.917 {77.H} 7.395 0.062 0.098 2446.729 8.775 0 0 2561 {?} 8.436 0.038 0.052 {?} 115.409 0.695 0.953 {?} 7.359 0.161 0.202 37.043 7.621 0 0 2562 {107.HD21} 7.176 0.031 0.085 {107.ND2} 115.280 0.566 1.335 {107.HD22} 7.297 0.078 0.112 3246.715 47.399 0 0 2563 {?} 8.434 0.027 0.037 {?} 115.410 0.728 0.927 {?} 7.244 0.189 0.270 216.986 7.660 0 0 2564 {?} 8.433 0.036 0.049 {?} 115.411 0.632 0.813 {?} 7.072 0.106 0.131 212.874 6.898 0 0 2565 {?} 7.779 0.036 0.025 {?} 115.392 0.837 0.693 {?} 7.057 0.116 0.092 1842.305 4.102 0 0 2566 {?} 7.338 0.037 0.010 {?} 115.290 0.719 0.223 {?} 6.949 0.051 0.046 634.265 3.074 0 0 2567 {?} 8.220 0.040 0.078 {?} 115.428 0.695 1.120 {?} 6.906 0.067 0.113 560.953 15.448 0 0 2568 {?} 6.048 0.026 0.041 {?} 115.520 0.606 1.035 {?} 6.910 0.170 0.258 48.402 10.018 0 0 2569 {?} 7.778 0.033 0.037 {?} 115.352 0.697 0.789 {?} 6.881 0.162 0.175 349.596 5.894 0 0 2570 {?} 7.779 0.032 0.041 {?} 115.407 0.804 1.003 {?} 6.743 0.071 0.403 198.898 7.269 0 0 2571 {?} 8.217 0.026 0.019 {?} 115.471 0.866 0.536 {?} 6.542 0.096 0.137 305.502 3.720 0 0 2572 {?} 7.776 0.026 0.026 {?} 115.369 0.728 0.725 {?} 6.532 0.274 0.391 339.710 5.187 0 0 2573 {91.H 107.HD22} 7.275 0.043 0.039 {91.N 107.ND2} 115.389 0.884 0.796 {95.H 95.H} 6.503 0.059 0.118 38.676 4.643 0 0 2574 {?} 8.434 0.030 0.030 {?} 115.358 0.724 0.732 {?} 6.487 0.113 0.114 29.502 5.283 0 0 2575 {?} 7.778 0.033 0.021 {?} 115.371 1.163 0.708 {?} 6.262 0.115 0.061 461.301 3.496 0 0 2576 {?} 8.437 0.024 0.017 {?} 115.299 0.817 0.618 {?} 6.178 0.073 0.126 95.332 3.988 0 0 2577 {?} 7.780 0.027 0.043 {?} 115.418 0.875 1.341 {?} 6.109 0.112 0.190 164.060 11.122 0 0 2578 {?} 8.432 0.033 0.030 {?} 115.406 0.649 0.584 {?} 6.085 0.147 0.211 151.001 4.739 0 0 2579 {?} 8.221 0.028 0.016 {?} 115.446 0.790 0.455 {?} 6.066 0.190 0.271 379.959 3.581 0 0 2580 {?} 7.342 0.024 0.017 {?} 115.332 0.889 0.597 {?} 6.054 0.268 0.383 66.825 3.801 0 0 2581 {?} 7.784 0.024 0.013 {?} 115.423 0.869 0.494 {?} 5.935 0.147 0.211 120.607 3.438 0 0 2582 {?} 8.213 0.017 0.014 {?} 115.551 0.841 0.719 {?} 5.900 0.147 0.211 137.082 4.433 0 0 2583 {?} 7.335 0.031 0.020 {?} 115.346 0.721 0.384 {?} 5.915 0.106 0.147 162.585 3.549 0 0 2584 {?} 8.432 0.043 0.062 {?} 115.388 0.795 0.882 {?} 5.788 0.074 0.177 64.712 5.946 0 0 2585 {?} 8.221 0.030 0.067 {?} 115.473 0.652 1.235 {?} 5.728 0.097 0.137 208.606 28.304 0 0 2586 {?} 8.442 0.033 0.026 {?} 115.401 0.701 0.507 {?} 5.673 0.240 0.343 91.142 4.074 0 0 2587 {?} 8.432 0.032 0.033 {?} 115.487 0.952 0.986 {?} 5.567 0.105 0.151 14.645 5.463 0 0 2588 {?} 7.781 0.042 0.076 {?} 115.420 0.703 1.195 {?} 5.461 0.105 0.151 317.508 19.387 0 0 2589 {?} 8.432 0.037 0.060 {?} 115.485 0.717 1.043 {?} 5.423 0.122 0.159 178.053 10.542 0 0 2590 {?} 8.438 0.014 0.034 {?} 115.424 0.662 0.709 {?} 5.287 0.068 0.156 196.610 5.640 0 0 2591 {?} 7.774 0.043 0.073 {?} 115.393 0.684 1.065 {?} 5.263 0.105 0.151 225.437 12.697 0 0 2592 {?} 7.335 0.035 0.028 {?} 115.299 0.831 0.691 {?} 5.204 0.058 0.101 191.203 4.176 0 0 2593 {?} 8.432 0.039 0.031 {?} 115.406 0.651 0.520 {?} 5.139 0.105 0.151 294.203 4.343 0 0 2594 {?} 7.778 0.022 0.026 {?} 115.403 0.803 0.979 {?} 5.098 0.232 0.331 295.725 6.606 0 0 2595 {?} 8.434 0.034 0.026 {?} 115.436 0.762 0.578 {?} 4.927 0.134 0.192 547.257 4.065 0 0 2596 {?} 7.783 0.036 0.038 {?} 115.459 0.574 0.615 {?} 4.918 0.105 0.151 311.461 5.615 0 0 2597 {107.HD22} 7.339 0.041 0.042 {107.ND2} 115.254 0.859 0.876 {107.HA} 4.806 0.105 0.151 375.114 5.355 0 0 2598 {?} 7.776 0.032 0.053 {?} 115.404 0.786 1.061 {?} 4.718 0.069 0.196 288.052 8.924 0 0 2599 {?} 8.431 0.030 0.034 {?} 115.440 0.706 0.774 {?} 4.651 0.129 0.137 340.839 5.934 0 0 2600 {?} 8.434 0.046 0.072 {?} 115.413 0.692 1.063 {?} 4.543 0.063 0.215 370.891 12.793 0 0 2601 {107.HD22} 7.265 0.027 0.036 {107.ND2} 115.358 0.532 0.671 {2.HA} 4.524 0.147 0.211 136.958 7.062 0 0 2602 {?} 7.778 0.035 0.031 {?} 115.379 0.723 0.604 {?} 4.473 0.147 0.211 480.488 4.494 0 0 2603 {?} 8.211 0.028 0.044 {?} 115.470 0.621 1.013 {?} 4.447 0.092 0.133 143.405 10.746 0 0 2604 {?} 8.181 0.036 0.057 {?} 115.457 0.682 1.041 {?} 4.434 0.147 0.211 82.752 9.797 0 0 2605 {?} 8.435 0.018 0.040 {?} 115.386 0.733 0.745 {?} 4.406 0.147 0.211 679.836 5.316 0 0 2606 {?} 7.780 0.033 0.043 {?} 115.409 0.691 0.881 {?} 4.356 0.194 0.353 497.548 7.405 0 0 2607 {?} 7.337 0.034 0.089 {?} 115.273 0.581 1.296 {?} 4.303 0.128 0.199 1605.963 31.945 0 0 2608 {64.H 99.H} 8.186 0.033 0.085 {64.N 99.N} 115.395 0.740 1.365 {64.HA 98.HA3} 4.277 0.122 0.181 210.088 26.992 0 0 2609 {146.H 146.H} 8.434 0.027 0.062 {146.N 146.N} 115.415 0.688 1.092 {143.HA 145.HA} 4.176 0.023 0.082 1604.611 14.234 0 0 2610 {107.HD21} 7.221 0.038 0.094 {107.ND2} 115.303 0.712 1.204 {104.HA2} 4.062 0.145 0.199 150.164 22.851 0 0 2611 {64.H} 8.221 0.026 0.068 {64.N} 115.377 0.676 1.509 {63.HA3} 4.001 0.073 0.122 309.863 50.052 0 0 2612 {78.H 78.H} 7.778 0.032 0.078 {78.N 78.N} 115.391 0.587 1.324 {77.HA2 77.HA3} 4.002 0.059 0.096 1438.050 41.496 0 0 2613 {?} 8.220 0.039 0.042 {?} 115.434 0.724 0.820 {?} 3.746 0.125 0.149 2913.420 6.125 0 0 2614 {?} 7.337 0.032 0.080 {?} 115.323 0.758 1.355 {?} 3.594 0.077 0.170 189.765 29.305 0 0 2615 {99.H} 8.188 0.030 0.018 {99.N} 115.396 0.769 0.321 {100.HA} 3.431 0.092 0.040 219.781 3.278 0 0 2616 {146.H} 8.434 0.028 0.025 {146.N} 115.419 0.863 0.788 {146.HD3} 3.278 0.185 0.265 1151.840 4.675 0 0 2617 {146.H} 8.435 0.035 0.034 {146.N} 115.418 0.767 0.709 {146.HD2} 3.143 0.090 0.178 515.780 4.859 0 0 2618 {?} 7.779 0.019 0.038 {?} 115.395 0.617 0.568 {?} 3.057 0.105 0.151 1217.588 4.826 0 0 2619 {?} 7.778 0.033 0.082 {?} 115.375 0.664 1.283 {?} 2.844 0.119 0.236 195.755 26.946 0 0 2620 {?} 8.220 0.040 0.038 {?} 115.438 0.850 0.766 {?} 2.781 0.165 0.149 172.160 4.574 0 0 2621 {?} 7.339 0.038 0.074 {?} 115.283 0.691 1.089 {?} 2.567 0.092 0.146 22.232 14.955 0 0 2622 {146.H} 8.433 0.039 0.094 {146.N} 115.415 0.722 1.252 {146.HG2} 2.493 0.104 0.180 1384.552 22.135 0 0 2623 {?} 7.778 0.035 0.049 {?} 115.394 0.677 0.865 {?} 2.441 0.147 0.211 292.488 7.530 0 0 2624 {?} 7.777 0.023 0.024 {?} 115.424 0.832 0.874 {?} 2.301 0.150 0.155 61.527 5.504 0 0 2625 {?} 8.434 0.023 0.024 {?} 115.418 0.832 0.874 {?} 2.133 0.150 0.155 6579.354 5.504 0 0 2626 {?} 7.779 0.036 0.080 {?} 115.288 0.709 1.178 {?} 2.047 0.114 0.175 113.306 18.445 0 0 2627 {107.HD21} 7.180 0.027 0.084 {107.ND2} 115.256 0.695 1.547 {1.HB2} 1.974 0.086 0.167 263.145 54.412 0 0 2628 {?} 7.778 0.038 0.044 {?} 115.392 0.481 0.588 {?} 1.828 0.082 0.098 427.767 6.700 0 0 2629 {91.H} 7.338 0.039 0.075 {91.N} 115.266 0.722 1.171 {90.HB2} 1.829 0.093 0.216 2600.301 16.802 0 0 2630 {146.H} 8.435 0.033 0.083 {146.N} 115.406 0.721 1.461 {146.HB2} 1.727 0.109 0.199 441.443 31.371 0 0 2631 {107.HD21} 7.174 0.029 0.017 {107.ND2} 115.276 0.780 0.282 {2.HB2} 1.646 0.060 0.065 212.440 3.112 0 0 2632 {?} 7.778 0.052 0.049 {?} 115.435 0.772 0.737 {?} 1.520 0.132 0.124 146.853 4.961 0 0 2633 {?} 8.434 0.052 0.049 {?} 115.418 0.772 0.737 {?} 1.486 0.132 0.124 1027.377 4.961 0 0 2634 {107.HD22} 7.268 0.033 0.101 {107.ND2} 115.261 0.686 1.471 {2.HG3} 1.419 0.105 0.271 138.714 32.738 0 0 2635 {146.H 146.H} 8.435 0.034 0.048 {146.N 146.N} 115.424 0.792 1.004 {145.HD11 145.HD12} 1.179 0.063 0.080 525.862 7.546 0 0 2636 {?} 8.221 0.033 0.056 {?} 115.416 0.711 1.049 {?} 1.166 0.146 0.235 1902.384 11.403 0 0 2637 {?} 8.434 0.031 0.055 {?} 115.410 0.603 0.973 {?} 0.968 0.063 0.090 1663.305 11.552 0 0 2638 {?} 8.194 0.041 0.076 {?} 115.383 0.637 1.104 {?} 0.904 0.071 0.237 2253.754 13.771 0 0 2639 {?} 8.220 0.044 0.070 {?} 115.422 0.746 1.160 {?} 0.850 0.105 0.331 1382.648 14.633 0 0 2640 {107.HD22} 7.338 0.015 0.037 {107.ND2} 115.267 0.736 0.826 {95.HG11} 0.846 0.105 0.151 1138.452 6.277 0 0 2641 {146.H 146.H 146.H} 8.433 0.031 0.077 {146.N 146.N 146.N} 115.337 0.659 1.261 {140.HG11 140.HG12 140.HG13} 0.776 0.105 0.151 28.890 27.695 0 0 2642 {?} 7.780 0.036 0.079 {?} 115.382 0.687 1.136 {?} 0.773 0.148 0.207 1541.514 18.500 0 0 2643 {?} 7.339 0.028 0.074 {?} 115.272 0.659 1.230 {?} 0.689 0.105 0.151 875.636 25.914 0 0 2644 {?} 7.779 0.030 0.072 {?} 115.388 0.658 1.180 {?} 0.594 0.190 0.271 2718.943 14.694 0 0 2645 {?} 7.788 0.039 0.114 {?} 115.426 0.644 1.207 {?} 0.346 0.166 0.271 53.861 35.967 0 0 2646 {78.H 78.H} 7.779 0.039 0.067 {78.N 78.N} 115.379 0.669 1.050 {76.HD11 76.HD12} -0.485 0.105 0.151 961.824 13.666 0 0 2647 {107.HD22} 7.274 0.036 0.090 {107.ND2} 115.125 0.684 1.206 {2.H} 8.899 0.098 0.140 391.533 26.867 0 0 2648 {107.HD21} 7.178 0.025 0.056 {107.ND2} 115.227 0.736 1.249 {2.H} 8.895 0.105 0.151 100.388 14.665 0 0 2649 {107.HD21} 7.178 0.032 0.088 {107.ND2} 115.153 0.686 1.687 {107.H} 7.822 0.101 0.192 674.081 65.728 0 0 2650 {91.H} 7.338 0.028 0.051 {91.N} 115.235 0.680 1.074 {90.H} 7.743 0.033 0.106 2597.891 11.905 0 0 2651 {91.H 91.H} 7.272 0.028 0.051 {91.N 91.N} 115.210 0.680 1.074 {90.H 94.H} 7.757 0.033 0.106 630.554 11.905 0 0 2652 {91.H} 7.338 0.039 0.131 {91.N} 115.244 0.678 1.465 {91.H} 7.347 0.152 0.245 8030.487 55.791 0 0 2653 {91.H 107.HD22} 7.278 0.034 0.089 {91.N 107.ND2} 115.017 0.695 1.244 {91.H 107.HD22} 7.298 0.105 0.151 4818.566 31.346 0 0 2654 {107.HD21} 7.177 0.047 0.067 {107.ND2} 115.133 0.693 1.141 {107.HD21} 7.189 0.194 0.383 4328.608 16.939 0 0 2655 {?} 7.336 0.035 0.103 {?} 115.183 0.694 1.288 {?} 5.730 0.147 0.211 146.858 33.262 0 0 2656 {?} 7.336 0.025 0.041 {?} 115.184 0.696 0.993 {?} 5.432 0.087 0.123 172.353 9.420 0 0 2657 {107.HD22} 7.338 0.031 0.104 {107.ND2} 115.215 0.722 2.016 {95.HA} 5.029 0.080 0.271 352.834 109.954 0 0 2658 {107.HD22} 7.277 0.037 0.065 {107.ND2} 115.181 0.650 1.052 {107.HA} 4.787 0.134 0.192 31.028 10.810 0 0 2659 {?} 7.337 0.031 0.104 {?} 115.238 0.639 1.558 {?} 4.684 0.071 0.223 274.530 73.250 0 0 2660 {?} 7.276 0.027 0.153 {?} 115.142 0.717 2.283 {?} 4.675 0.058 0.373 106.898 190.791 0 0 2661 {?} 7.174 0.037 0.062 {?} 115.144 0.755 1.105 {?} 4.686 0.121 0.247 86.213 11.234 0 0 2662 {107.HD22} 7.267 0.037 0.097 {107.ND2} 115.184 0.696 1.407 {1.HA} 4.407 0.083 0.208 43.534 51.094 0 0 2663 {107.HD21} 7.179 0.047 0.067 {107.ND2} 115.057 0.698 1.216 {1.HA} 4.373 0.141 0.202 123.795 26.407 0 0 2664 {107.HD21} 7.175 0.038 0.028 {107.ND2} 115.162 0.848 0.712 {94.HA2} 4.263 0.068 0.128 85.282 4.276 0 0 2665 {91.H} 7.338 0.038 0.076 {91.N} 115.240 0.683 1.112 {91.HA} 4.070 0.105 0.151 2002.001 18.022 0 0 2666 {107.HD21} 7.178 0.032 0.100 {107.ND2} 115.155 0.739 1.315 {104.HA2} 4.003 0.112 0.173 534.989 47.322 0 0 2667 {?} 7.264 0.034 0.128 {?} 115.162 0.713 1.638 {?} 2.919 0.104 0.367 63.981 61.452 0 0 2668 {?} 7.337 0.031 0.109 {?} 115.239 0.722 2.027 {?} 2.766 0.071 0.102 537.781 146.953 0 0 2669 {107.HD22} 7.272 0.038 0.104 {107.ND2} 115.241 0.646 1.303 {107.HB3} 2.691 0.061 0.133 1336.395 28.308 0 0 2670 {107.HD21 107.HD21} 7.178 0.038 0.097 {107.ND2 107.ND2} 115.128 0.721 1.688 {107.HB2 107.HB3} 2.687 0.117 0.422 2434.178 47.656 0 0 2671 {107.HD21 107.HD21} 7.107 0.038 0.050 {107.ND2 107.ND2} 115.171 0.780 1.020 {107.HB2 107.HB3} 2.690 0.042 0.115 32.552 8.165 0 0 2672 {107.HD21} 7.174 0.024 0.033 {107.ND2} 115.158 0.628 0.930 {1.HG2} 2.435 0.065 0.090 30.266 8.373 0 0 2673 {91.H} 7.338 0.035 0.047 {91.N} 115.248 0.820 1.106 {91.HG3} 2.401 0.077 0.113 2790.952 9.015 0 0 2674 {?} 7.171 0.027 0.032 {?} 115.201 0.584 0.782 {?} 2.250 0.062 0.073 20.149 6.944 0 0 2675 {91.H} 7.338 0.027 0.032 {91.N} 115.243 0.584 0.782 {91.HG2} 2.212 0.062 0.073 6836.224 6.944 0 0 2676 {?} 7.338 0.032 0.059 {?} 115.247 0.773 1.241 {?} 2.089 0.081 0.133 4051.237 14.673 0 0 2677 {107.HD22} 7.274 0.032 0.059 {107.ND2} 115.134 0.773 1.241 {1.HB2} 1.964 0.081 0.133 834.853 14.673 0 0 2678 {?} 7.260 0.036 0.018 {?} 115.168 0.682 0.229 {?} 1.804 0.065 0.023 443.291 3.134 0 0 2679 {107.HD21} 7.182 0.040 0.023 {107.ND2} 115.169 0.964 0.691 {93.HB2} 1.814 0.077 0.046 81.160 3.666 0 0 2680 {107.HD22} 7.337 0.025 0.030 {107.ND2} 115.235 0.676 0.911 {2.HB2} 1.677 0.070 0.083 1654.889 7.246 0 0 2681 {107.HD22} 7.273 0.045 0.090 {107.ND2} 115.122 0.815 1.067 {2.HB2} 1.651 0.128 0.179 1195.330 8.483 0 0 2682 {91.H} 7.337 0.044 0.055 {91.N} 115.236 0.831 1.027 {90.HG} 1.557 0.205 0.412 556.936 7.092 0 0 2683 {107.HD21} 7.178 0.039 0.097 {107.ND2} 115.154 0.623 1.225 {2.HG3} 1.428 0.076 0.123 151.353 18.328 0 0 2684 {?} 7.175 0.017 0.009 {?} 115.091 0.641 0.303 {?} 1.257 0.092 0.064 92.850 3.415 0 0 2685 {91.H 107.HD22} 7.338 0.034 0.047 {91.N 107.ND2} 115.222 0.573 0.847 {92.HG23 132.HG} 1.138 0.119 0.162 623.163 8.112 0 0 2686 {107.HD22 107.HD22} 7.282 0.043 0.092 {107.ND2 107.ND2} 115.173 0.552 1.148 {95.HG11 95.HG13} 0.845 0.105 0.151 676.898 17.872 0 0 2687 {107.HD21 107.HD21 107.HD21} 7.179 0.039 0.173 {107.ND2 107.ND2 107.ND2} 115.152 0.605 1.687 {95.HG11 95.HG12 95.HG13} 0.850 0.113 0.220 471.857 61.377 0 0 2688 {?} 7.279 0.035 0.157 {?} 115.139 0.733 1.831 {?} 0.683 0.080 0.226 1963.140 82.112 0 0 2689 {?} 7.176 0.045 0.033 {?} 115.160 0.917 0.599 {?} 0.692 0.100 0.064 2081.280 3.819 0 0 2690 {107.HD22 107.HD22 107.HD22} 7.275 0.024 0.033 {107.ND2 107.ND2 107.ND2} 115.138 0.733 1.008 {132.HD21 132.HD22 132.HD23} 0.556 0.054 0.079 823.103 8.639 0 0 2691 {164.H} 7.926 0.030 0.059 {164.N} 114.418 0.695 1.154 {161.H} 9.260 0.077 0.127 90.789 17.122 0 0 2692 {?} 7.931 0.021 0.007 {?} 114.364 0.985 0.371 {?} 8.709 0.061 0.017 193.814 3.039 0 0 2693 {164.H} 7.928 0.030 0.041 {164.N} 114.422 0.897 1.173 {162.H} 8.343 0.059 0.076 760.904 8.612 0 0 2694 {164.H} 7.928 0.027 0.016 {164.N} 114.397 0.795 0.368 {164.H} 7.927 0.111 0.061 9400.723 3.228 0 0 2695 {164.H} 7.928 0.027 0.016 {164.N} 114.408 0.795 0.368 {163.H} 7.635 0.111 0.061 6191.606 3.228 0 0 2696 {?} 7.929 0.027 0.016 {?} 114.374 0.795 0.368 {?} 7.318 0.111 0.061 465.339 3.228 0 0 2697 {?} 7.926 0.033 0.142 {?} 114.391 0.731 2.406 {?} 7.043 0.069 0.159 568.176 175.868 0 0 2698 {?} 7.926 0.034 0.142 {?} 114.454 0.743 1.061 {?} 6.812 0.097 0.168 214.609 255.193 0 0 2699 {?} 7.924 0.033 0.097 {?} 114.402 0.722 1.878 {?} 6.680 0.032 0.102 244.089 72.796 0 0 2700 {?} 7.928 0.031 0.112 {?} 114.464 0.623 2.406 {?} 6.508 0.086 0.133 202.670 134.320 0 0 2701 {?} 7.928 0.035 0.074 {?} 114.422 0.690 1.171 {?} 6.267 0.063 0.090 223.889 16.941 0 0 2702 {?} 7.927 0.030 0.097 {?} 114.408 0.705 1.161 {?} 6.011 0.105 0.151 344.669 14.235 0 0 2703 {?} 7.929 0.031 0.047 {?} 114.355 0.604 0.925 {?} 5.766 0.105 0.151 291.488 8.935 0 0 2704 {?} 7.923 0.025 0.039 {?} 114.510 0.860 1.243 {?} 5.618 0.105 0.151 79.751 9.034 0 0 2705 {?} 7.930 0.030 0.067 {?} 114.339 0.670 1.132 {?} 5.474 0.105 0.151 385.178 10.810 0 0 2706 {164.H} 7.926 0.036 0.112 {164.N} 114.438 0.677 1.266 {160.HA} 4.878 0.250 0.331 387.599 19.439 0 0 2707 {?} 7.929 0.031 0.045 {?} 114.412 0.653 0.877 {?} 4.749 0.147 0.211 450.838 7.003 0 0 2708 {?} 7.928 0.034 0.094 {?} 114.393 0.586 1.033 {?} 4.627 0.065 0.189 602.301 12.497 0 0 2709 {164.H} 7.928 0.034 0.087 {164.N} 114.424 0.669 1.310 {162.HA} 4.491 0.083 0.119 705.177 28.099 0 0 2710 {164.H} 7.928 0.038 0.057 {164.N} 114.410 0.743 1.047 {163.HA} 4.181 0.190 0.271 974.628 9.851 0 0 2711 {164.H} 7.928 0.027 0.026 {164.N} 114.410 0.900 0.875 {164.HA} 3.882 0.105 0.151 3000.132 5.020 0 0 2712 {164.H} 7.926 0.019 0.014 {164.N} 114.380 0.909 0.712 {160.HB2} 2.974 0.151 0.274 411.200 3.991 0 0 2713 {164.H} 7.928 0.038 0.021 {164.N} 114.411 0.819 0.519 {164.HG2} 2.550 0.105 0.151 2687.170 3.742 0 0 2714 {?} 7.928 0.029 0.062 {?} 114.415 0.697 1.131 {?} 2.329 0.119 0.236 1522.765 14.962 0 0 2715 {164.H} 7.928 0.032 0.022 {164.N} 114.401 0.878 0.600 {164.HE3} 2.048 0.134 0.192 1731.207 3.650 0 0 2716 {164.H} 7.927 0.035 0.040 {164.N} 114.420 0.603 0.741 {164.HB3} 1.875 0.054 0.163 1441.295 6.472 0 0 2717 {?} 7.927 0.024 0.019 {?} 114.403 1.096 0.920 {?} 1.590 0.147 0.211 2016.829 4.215 0 0 2718 {164.H} 7.928 0.040 0.056 {164.N} 114.412 0.804 1.162 {163.HB2} 1.224 0.190 0.271 2382.848 8.913 0 0 2719 {?} 7.928 0.047 0.027 {?} 114.404 0.882 0.543 {?} 0.915 0.197 0.174 1098.439 3.632 0 0 2720 {?} 7.925 0.034 0.030 {?} 114.319 0.758 0.667 {?} 0.602 0.274 0.391 344.275 4.592 0 0 2721 {164.H} 7.928 0.031 0.039 {164.N} 114.396 0.718 0.882 {159.HG13} -0.400 0.316 0.452 347.560 7.105 0 0 2722 {46.HD21} 7.536 0.040 0.008 {46.ND2} 114.083 0.859 0.165 {45.H} 9.141 0.172 0.246 167.921 2.856 0 0 2723 {46.HD22} 6.588 0.027 0.019 {46.ND2} 114.048 0.727 0.430 {45.H} 9.152 0.105 0.151 98.425 3.679 0 0 2724 {46.HD22} 6.590 0.032 0.031 {46.ND2} 114.098 0.864 0.837 {46.H} 8.324 0.105 0.151 349.020 5.041 0 0 2725 {93.H} 7.344 0.025 0.012 {93.N} 114.099 0.909 0.589 {94.H} 7.757 0.055 0.071 2890.549 3.527 0 0 2726 {46.HD21} 7.538 0.028 0.034 {46.ND2} 114.037 0.644 0.788 {46.HD21} 7.539 0.274 0.391 3855.050 6.768 0 0 2727 {46.HD22} 6.588 0.031 0.034 {46.ND2} 114.117 0.974 1.035 {46.HD21} 7.534 0.147 0.211 1639.932 5.711 0 0 2728 {?} 7.928 0.027 0.016 {?} 114.299 0.775 0.424 {?} 7.177 0.147 0.211 224.732 3.561 0 0 2729 {46.HD21} 7.538 0.036 0.031 {46.ND2} 114.119 0.825 0.655 {129.HD1} 7.052 0.105 0.151 702.297 4.324 0 0 2730 {?} 7.343 0.033 0.032 {?} 114.094 0.823 0.806 {?} 6.918 0.147 0.211 532.039 5.060 0 0 2731 {?} 7.959 0.026 0.017 {?} 114.222 0.885 0.589 {?} 6.677 0.147 0.211 195.051 3.589 0 0 2732 {46.HD21} 7.538 0.029 0.030 {46.ND2} 114.139 0.691 0.704 {46.HD22} 6.572 0.190 0.271 1671.801 5.323 0 0 2733 {?} 7.344 0.040 0.046 {?} 114.079 0.698 0.832 {?} 6.501 0.147 0.211 1102.744 6.083 0 0 2734 {46.HD21} 7.536 0.039 0.031 {46.ND2} 114.089 0.582 0.532 {46.HA} 6.182 0.096 0.137 324.463 4.807 0 0 2735 {?} 6.592 0.032 0.028 {?} 114.076 0.741 0.627 {?} 6.166 0.345 0.493 212.034 4.516 0 0 2736 {46.HD21} 7.544 0.040 0.048 {46.ND2} 114.100 0.831 0.932 {102.H} 5.901 0.232 0.331 60.890 6.107 0 0 2737 {46.HD22} 6.589 0.028 0.015 {46.ND2} 114.052 0.723 0.264 {102.H} 5.914 0.173 0.153 63.519 3.184 0 0 2738 {?} 7.928 0.032 0.036 {?} 114.293 0.716 0.841 {?} 5.282 0.134 0.192 287.356 6.293 0 0 2739 {46.HD21 46.HD21} 7.537 0.034 0.050 {46.ND2 46.ND2} 114.146 0.649 0.986 {44.HB 60.HB2} 4.102 0.147 0.211 552.879 9.058 0 0 2740 {46.HD22} 6.592 0.027 0.031 {46.ND2} 114.015 0.852 0.955 {44.HB} 4.108 0.134 0.192 493.268 6.299 0 0 2741 {?} 7.346 0.042 0.051 {?} 114.094 0.793 0.953 {?} 3.593 0.069 0.175 934.623 6.649 0 0 2742 {?} 7.344 0.030 0.044 {?} 114.094 0.637 1.116 {?} 2.762 0.147 0.211 1015.927 11.653 0 0 2743 {?} 7.538 0.028 0.060 {?} 114.027 0.614 1.112 {?} 2.585 0.044 0.131 840.749 20.525 0 0 2744 {?} 6.587 0.027 0.042 {?} 114.106 0.589 0.929 {?} 2.584 0.084 0.271 472.235 10.921 0 0 2745 {46.HD22} 6.587 0.033 0.069 {46.ND2} 114.103 0.728 1.216 {46.HB3} 2.122 0.102 0.331 762.789 22.521 0 0 2746 {?} 6.590 0.032 0.078 {?} 114.090 0.696 1.530 {?} 1.908 0.073 0.136 157.333 53.881 0 0 2747 {93.H} 7.344 0.031 0.109 {93.N} 114.083 0.603 1.324 {93.HB2} 1.817 0.122 0.199 3463.202 43.185 0 0 2748 {?} 7.343 0.031 0.109 {?} 114.137 0.603 1.324 {?} 1.255 0.122 0.199 1230.221 43.185 0 0 2749 {?} 7.540 0.035 0.063 {?} 114.076 0.729 1.195 {?} 1.169 0.066 0.096 263.569 18.673 0 0 2750 {?} 7.344 0.030 0.038 {?} 114.088 0.590 0.722 {?} 1.141 0.067 0.074 2826.822 6.605 0 0 2751 {?} 6.586 0.030 0.045 {?} 114.095 0.783 1.118 {?} 1.153 0.105 0.151 190.460 10.368 0 0 2752 {?} 7.538 0.032 0.063 {?} 114.067 0.743 1.218 {?} 0.864 0.105 0.151 1394.780 18.401 0 0 2753 {?} 6.591 0.026 0.012 {?} 114.091 1.001 0.496 {?} 0.868 0.098 0.045 1203.034 3.303 0 0 2754 {?} 7.344 0.030 0.081 {?} 114.093 0.712 1.240 {?} 0.753 0.147 0.211 6575.118 29.765 0 0 2755 {?} 7.539 0.031 0.052 {?} 114.092 0.712 1.084 {?} 0.565 0.096 0.137 354.135 12.999 0 0 2756 {?} 6.587 0.034 0.034 {?} 114.014 0.780 0.765 {?} 0.559 0.081 0.080 471.739 5.121 0 0 2757 {93.H} 7.341 0.030 0.099 {93.N} 114.143 0.702 1.248 {95.HG21} 0.501 0.088 0.201 417.303 31.438 0 0 2758 {82.H} 7.973 0.028 0.044 {82.N} 113.775 0.653 1.062 {84.H} 9.449 0.147 0.211 31.546 11.268 0 0 2759 {82.H} 7.976 0.032 0.055 {82.N} 113.827 0.682 1.155 {51.H} 9.125 0.147 0.211 47.839 12.514 0 0 2760 {82.H} 7.977 0.032 0.048 {82.N} 113.866 0.729 1.027 {50.H} 8.678 0.147 0.211 1275.141 9.379 0 0 2761 {46.HD21} 7.538 0.034 0.112 {46.ND2} 113.978 0.652 1.311 {46.H} 8.323 0.147 0.211 537.507 19.822 0 0 2762 {71.H} 7.076 0.029 0.059 {71.N} 113.871 0.698 1.339 {70.H} 8.237 0.147 0.211 1375.775 18.751 0 0 2763 {?} 8.223 0.028 0.028 {?} 113.779 0.635 0.635 {?} 8.218 0.091 0.092 16.490 5.218 0 0 2764 {82.H} 7.977 0.033 0.139 {82.N} 113.873 0.720 1.780 {82.H} 7.975 0.083 0.118 6799.642 67.650 0 0 2765 {?} 7.076 0.030 0.112 {?} 113.872 0.609 1.445 {?} 7.760 0.156 0.234 46.462 67.764 0 0 2766 {?} 7.978 0.043 0.044 {?} 113.898 0.647 0.662 {?} 7.695 0.097 0.098 1489.399 5.338 0 0 2767 {?} 7.975 0.043 0.044 {?} 113.850 0.647 0.662 {?} 7.490 0.097 0.098 192.742 5.338 0 0 2768 {71.H} 7.076 0.030 0.215 {71.N} 113.870 0.715 1.957 {72.H} 7.393 0.083 0.145 2819.331 182.682 0 0 2769 {71.H} 7.076 0.035 0.122 {71.N} 113.870 0.725 1.366 {71.H} 7.082 0.102 0.243 4377.773 28.785 0 0 2770 {46.HD22} 6.588 0.029 0.070 {46.ND2} 113.994 0.624 1.400 {129.HD1} 7.057 0.090 0.185 701.702 43.116 0 0 2771 {?} 7.978 0.040 0.058 {?} 113.882 0.642 1.044 {?} 6.701 0.111 0.192 146.692 11.107 0 0 2772 {71.H} 7.074 0.045 0.058 {71.N} 113.887 0.878 1.047 {74.HD2} 6.564 0.108 0.163 206.193 7.002 0 0 2773 {46.HD22} 6.588 0.027 0.017 {46.ND2} 113.939 1.028 0.713 {46.HD22} 6.569 0.058 0.088 1975.257 3.599 0 0 2774 {71.H} 7.072 0.027 0.017 {71.N} 113.841 1.028 0.713 {74.H} 6.240 0.058 0.088 95.147 3.599 0 0 2775 {?} 7.978 0.031 0.127 {?} 113.852 0.675 1.606 {?} 5.471 0.126 0.218 1132.050 45.969 0 0 2776 {82.H} 7.974 0.033 0.110 {82.N} 113.879 0.719 1.914 {49.HA} 5.111 0.108 0.209 269.399 84.079 0 0 2777 {?} 7.339 0.033 0.062 {?} 113.850 0.701 1.153 {?} 5.091 0.074 0.113 43.882 17.008 0 0 2778 {?} 7.976 0.023 0.011 {?} 113.883 0.952 0.547 {?} 4.976 0.128 0.081 389.260 3.489 0 0 2779 {?} 7.976 0.033 0.040 {?} 113.875 0.821 1.055 {?} 4.661 0.048 0.065 719.511 8.078 0 0 2780 {?} 7.076 0.028 0.055 {?} 113.861 0.661 1.054 {?} 4.649 0.063 0.093 108.197 10.001 0 0 2781 {82.H} 7.976 0.029 0.021 {82.N} 113.876 0.892 0.649 {81.HA} 4.406 0.066 0.044 743.942 3.875 0 0 2782 {71.H} 7.076 0.031 0.051 {71.N} 113.841 0.717 1.064 {70.HA} 4.285 0.059 0.092 397.065 11.680 0 0 2783 {82.H} 7.977 0.028 0.042 {82.N} 113.879 0.615 0.959 {82.HB2} 3.942 0.081 0.109 1165.634 9.226 0 0 2784 {?} 7.073 0.029 0.042 {?} 113.883 0.482 0.640 {?} 3.855 0.082 0.109 627.390 7.758 0 0 2785 {?} 7.978 0.030 0.048 {?} 113.853 0.571 1.030 {?} 3.760 0.087 0.144 563.269 12.143 0 0 2786 {?} 7.978 0.029 0.051 {?} 113.886 0.589 1.088 {?} 3.146 0.051 0.092 371.588 12.718 0 0 2787 {?} 6.586 0.038 0.059 {?} 113.938 0.587 0.998 {?} 3.117 0.082 0.116 58.159 10.375 0 0 2788 {?} 7.978 0.030 0.089 {?} 113.831 0.518 1.229 {?} 3.024 0.070 0.101 406.435 43.277 0 0 2789 {18.H 18.H} 7.737 0.025 0.007 {18.N 18.N} 113.697 0.848 0.224 {19.HE2 19.HE3} 3.012 0.048 0.032 63.283 2.958 0 0 2790 {?} 7.075 0.029 0.037 {?} 113.870 0.475 0.574 {?} 2.988 0.105 0.151 811.536 6.590 0 0 2791 {?} 7.976 0.040 0.033 {?} 113.868 0.974 0.806 {?} 2.587 0.130 0.098 412.166 4.280 0 0 2792 {?} 7.076 0.030 0.273 {?} 113.853 0.567 1.354 {?} 2.492 0.079 0.113 740.988 216.658 0 0 2793 {46.HD21} 7.539 0.032 0.059 {46.ND2} 113.983 0.590 1.172 {46.HB3} 2.129 0.147 0.211 1205.653 15.736 0 0 2794 {?} 7.076 0.033 0.107 {?} 113.864 0.623 1.842 {?} 2.077 0.091 0.211 2326.872 85.581 0 0 2795 {?} 7.971 0.025 0.034 {?} 113.884 0.529 0.721 {?} 2.049 0.062 0.211 63.391 7.827 0 0 2796 {71.H} 7.076 0.033 0.045 {71.N} 113.878 0.736 0.981 {70.HB3} 1.957 0.105 0.151 3910.090 8.035 0 0 2797 {?} 7.976 0.017 0.031 {?} 113.896 0.604 0.555 {?} 1.912 0.053 0.107 429.243 4.826 0 0 2798 {?} 7.540 0.033 0.037 {?} 114.001 0.278 0.706 {?} 1.906 0.134 0.192 147.903 6.117 0 0 2799 {46.HD21} 7.539 0.021 0.021 {46.ND2} 113.971 0.874 0.870 {45.HB2} 1.734 0.136 0.194 102.871 5.191 0 0 2800 {?} 7.977 0.024 0.005 {?} 113.867 0.661 0.128 {?} 1.682 0.067 0.042 2907.571 2.887 0 0 2801 {71.H} 7.076 0.024 0.004 {71.N} 113.882 0.997 0.157 {71.HB3} 1.541 0.124 0.025 5736.891 2.805 0 0 2802 {82.H} 7.975 0.027 0.025 {82.N} 113.855 0.679 0.593 {49.HB2} 1.420 0.147 0.211 796.464 4.627 0 0 2803 {71.H} 7.075 0.027 0.023 {71.N} 113.883 0.691 0.554 {71.HG3} 1.342 0.105 0.151 656.892 4.355 0 0 2804 {?} 7.979 0.015 0.023 {?} 113.881 1.021 0.543 {?} 1.019 0.125 0.067 1262.222 3.325 0 0 2805 {?} 7.731 0.028 0.025 {?} 113.718 0.856 0.761 {?} 1.022 0.134 0.192 44.953 4.618 0 0 2806 {?} 7.076 0.027 0.025 {?} 113.902 0.684 0.633 {?} 0.874 0.134 0.192 243.173 4.827 0 0 2807 {?} 7.073 0.012 0.004 {?} 113.863 0.551 0.087 {?} 0.678 0.147 0.211 429.517 2.830 0 0 2808 {?} 7.976 0.027 0.020 {?} 113.881 0.843 0.621 {?} 0.618 0.134 0.192 2434.135 4.179 0 0 2809 {?} 7.977 0.025 0.003 {?} 113.868 0.998 0.179 {?} 0.366 0.147 0.211 1794.698 2.787 0 0 2810 {14.H} 7.404 0.033 0.023 {14.N} 113.448 0.364 0.565 {16.H} 8.708 0.232 0.331 1465.652 4.009 0 0 2811 {123.H} 7.362 0.024 0.002 {123.N} 113.446 0.725 0.063 {122.H} 8.591 0.079 0.041 2143.640 2.727 0 0 2812 {18.H} 7.733 0.023 0.004 {18.N} 113.600 0.856 0.146 {17.H} 8.379 0.149 0.029 523.278 2.832 0 0 2813 {123.H} 7.361 0.032 0.023 {123.N} 113.451 0.673 0.452 {120.H} 8.361 0.274 0.391 274.202 3.923 0 0 2814 {18.H} 7.733 0.030 0.031 {18.N} 113.629 0.605 0.631 {19.H} 8.147 0.190 0.271 194.076 5.442 0 0 2815 {14.H} 7.404 0.030 0.035 {14.N} 113.454 0.599 0.753 {13.H} 8.045 0.234 0.331 2000.204 6.793 0 0 2816 {18.H} 7.733 0.025 0.027 {18.N} 113.626 0.568 0.618 {18.H} 7.728 0.268 0.383 10342.062 5.724 0 0 2817 {14.H} 7.405 0.034 0.048 {14.N} 113.457 0.572 0.898 {15.H} 7.612 0.147 0.211 3298.273 9.366 0 0 2818 {14.H} 7.404 0.036 0.013 {14.N} 113.452 0.906 0.374 {14.H} 7.412 0.105 0.151 9700.110 3.266 0 0 2819 {?} 7.733 0.023 0.016 {?} 113.613 0.423 0.252 {?} 7.399 0.105 0.151 2532.160 3.714 0 0 2820 {14.H 123.H} 7.362 0.036 0.039 {14.N 123.N} 113.487 0.690 0.775 {14.H 123.H} 7.374 0.053 0.192 16766.008 5.890 0 0 2821 {?} 7.736 0.030 0.070 {?} 113.627 0.577 1.230 {?} 7.242 0.161 0.211 403.801 25.579 0 0 2822 {?} 7.361 0.030 0.075 {?} 113.505 0.516 1.290 {?} 7.211 0.092 0.145 4739.901 38.235 0 0 2823 {?} 7.735 0.032 0.060 {?} 113.612 0.618 1.164 {?} 7.125 0.092 0.176 361.313 15.832 0 0 2824 {?} 7.734 0.030 0.092 {?} 113.645 0.554 1.347 {?} 6.987 0.051 0.088 238.307 44.013 0 0 2825 {?} 7.410 0.029 0.022 {?} 113.376 0.678 0.507 {?} 6.789 0.089 0.072 45.645 4.162 0 0 2826 {?} 7.731 0.029 0.022 {?} 113.578 0.678 0.507 {?} 6.734 0.089 0.072 176.425 4.162 0 0 2827 {?} 7.363 0.032 0.069 {?} 113.565 0.546 1.194 {?} 6.693 0.048 0.075 75.204 22.773 0 0 2828 {?} 7.733 0.026 0.042 {?} 113.627 0.505 0.867 {?} 6.502 0.054 0.087 455.380 11.056 0 0 2829 {?} 7.404 0.033 0.070 {?} 113.471 0.574 1.232 {?} 6.508 0.076 0.140 423.627 24.439 0 0 2830 {?} 7.731 0.030 0.010 {?} 113.603 0.678 0.197 {?} 6.372 0.032 0.009 220.047 3.051 0 0 2831 {?} 7.734 0.025 0.016 {?} 113.553 0.935 0.398 {?} 6.208 0.084 0.039 272.630 3.227 0 0 2832 {?} 7.363 0.029 0.052 {?} 113.447 0.684 1.062 {?} 6.136 0.077 0.108 1336.624 10.017 0 0 2833 {?} 7.407 0.024 0.007 {?} 113.467 0.702 0.193 {?} 6.022 0.165 0.068 82.074 3.021 0 0 2834 {14.H} 7.404 0.037 0.040 {14.N} 113.458 0.560 0.610 {14.HD2} 5.862 0.075 0.080 1220.335 5.725 0 0 2835 {?} 7.355 0.034 0.061 {?} 113.510 0.577 1.120 {?} 5.754 0.102 0.146 464.572 15.180 0 0 2836 {?} 7.361 0.037 0.055 {?} 113.474 0.574 0.938 {?} 5.557 0.190 0.271 322.250 9.922 0 0 2837 {?} 7.405 0.033 0.060 {?} 113.524 0.550 1.061 {?} 5.527 0.134 0.192 205.307 14.902 0 0 2838 {?} 7.358 0.034 0.074 {?} 113.592 0.602 1.346 {?} 5.306 0.081 0.271 180.866 32.825 0 0 2839 {?} 7.733 0.031 0.066 {?} 113.624 0.586 1.175 {?} 5.255 0.077 0.271 698.905 18.822 0 0 2840 {?} 7.405 0.031 0.069 {?} 113.421 0.631 1.274 {?} 5.191 0.087 0.192 238.751 21.594 0 0 2841 {?} 7.408 0.035 0.091 {?} 113.408 0.601 1.351 {?} 5.057 0.087 0.149 113.757 43.968 0 0 2842 {?} 7.362 0.033 0.055 {?} 113.581 0.315 1.105 {?} 5.039 0.039 0.128 359.752 11.617 0 0 2843 {?} 7.732 0.031 0.118 {?} 113.622 0.516 1.383 {?} 4.985 0.076 0.132 566.461 153.463 0 0 2844 {?} 7.735 0.031 0.118 {?} 113.617 0.516 1.383 {?} 4.864 0.076 0.132 352.464 153.463 0 0 2845 {?} 7.359 0.036 0.064 {?} 113.542 0.567 0.966 {?} 4.878 0.152 0.210 680.622 11.431 0 0 2846 {?} 7.360 0.035 0.077 {?} 113.568 0.582 1.263 {?} 4.765 0.087 0.157 595.056 26.586 0 0 2847 {123.H} 7.404 0.030 0.089 {123.N} 113.441 0.558 1.301 {123.HA} 4.740 0.081 0.173 359.960 28.893 0 0 2848 {?} 7.732 0.031 0.129 {?} 113.647 0.553 1.333 {?} 4.610 0.088 0.285 609.914 68.940 0 0 2849 {?} 7.361 0.033 0.079 {?} 113.510 0.640 1.335 {?} 4.455 0.105 0.151 1266.980 27.798 0 0 2850 {123.H} 7.361 0.031 0.094 {123.N} 113.501 0.624 1.346 {122.HA} 4.333 0.098 0.140 1745.350 29.687 0 0 2851 {14.H} 7.405 0.030 0.070 {14.N} 113.446 0.553 1.159 {13.HA} 4.104 0.058 0.110 1230.885 21.792 0 0 2852 {18.H} 7.734 0.030 0.070 {18.N} 113.624 0.553 1.159 {16.HA} 3.765 0.058 0.110 454.404 21.792 0 0 2853 {?} 7.362 0.030 0.070 {?} 113.463 0.553 1.159 {?} 3.762 0.058 0.110 351.294 21.792 0 0 2854 {?} 7.729 0.026 0.030 {?} 113.586 0.572 0.660 {?} 3.439 0.052 0.060 163.723 6.168 0 0 2855 {14.H} 7.404 0.051 0.021 {14.N} 113.446 0.780 0.348 {14.HB2} 3.254 0.080 0.038 1873.902 3.338 0 0 2856 {123.H} 7.362 0.046 0.033 {123.N} 113.458 0.803 0.511 {123.HB2} 2.949 0.095 0.067 3079.098 3.781 0 0 2857 {14.H} 7.405 0.044 0.121 {14.N} 113.463 0.980 1.718 {12.HB2} 2.854 0.088 0.182 242.296 23.036 0 0 2858 {18.H} 7.733 0.031 0.042 {18.N} 113.625 0.667 0.941 {18.HB2} 2.623 0.096 0.137 3773.983 7.367 0 0 2859 {?} 7.733 0.028 0.114 {?} 113.621 0.903 2.491 {?} 2.492 0.082 0.118 3170.136 173.661 0 0 2860 {14.H} 7.362 0.037 0.052 {14.N} 113.462 0.920 0.945 {14.HB3} 2.488 0.076 0.171 4945.300 5.418 0 0 2861 {?} 7.404 0.033 0.157 {?} 113.457 0.793 3.525 {?} 2.404 0.113 0.338 3818.969 50.483 0 0 2862 {14.H} 7.406 0.035 0.123 {14.N} 113.505 0.761 1.913 {16.HB} 1.884 0.102 0.237 254.477 74.150 0 0 2863 {18.H} 7.731 0.032 0.027 {18.N} 113.604 0.548 0.428 {19.HB2} 1.789 0.110 0.089 174.115 4.282 0 0 2864 {?} 7.362 0.027 0.060 {?} 113.452 0.645 1.135 {?} 1.461 0.072 0.110 3834.861 12.713 0 0 2865 {?} 7.733 0.031 0.067 {?} 113.611 0.716 1.224 {?} 1.359 0.072 0.119 541.946 16.118 0 0 2866 {14.H} 7.404 0.058 0.082 {14.N} 113.448 0.823 1.392 {13.HB2} 1.190 0.109 0.196 3211.271 16.399 0 0 2867 {14.H} 7.406 0.036 0.053 {14.N} 113.433 0.955 1.105 {16.HG11} 1.031 0.063 0.090 836.679 6.662 0 0 2868 {18.H} 7.740 0.016 0.044 {18.N} 113.677 0.815 1.069 {140.HG22} 0.926 0.147 0.211 31.146 8.179 0 0 2869 {123.H} 7.404 0.029 0.052 {123.N} 113.425 0.634 1.208 {121.HD11} 0.857 0.130 0.302 440.593 11.765 0 0 2870 {18.H} 7.732 0.033 0.046 {18.N} 113.613 0.640 0.937 {140.HG11} 0.760 0.112 0.188 379.516 8.560 0 0 2871 {18.H 18.H 18.H} 7.733 0.034 0.114 {18.N 18.N 18.N} 113.660 0.752 1.850 {16.HG21 16.HG22 16.HG23} 0.191 0.083 0.133 356.553 62.867 0 0 2872 {?} 7.407 0.033 0.131 {?} 113.431 0.799 2.172 {?} 0.192 0.081 0.125 85.872 126.117 0 0 2873 {?} 7.405 0.022 0.046 {?} 113.353 0.807 0.797 {?} 7.005 0.101 0.144 196.891 5.153 0 0 2874 {?} 7.403 0.035 0.035 {?} 113.271 0.643 0.620 {?} 6.212 0.147 0.211 274.788 5.031 0 0 2875 {?} 7.401 0.033 0.042 {?} 113.291 0.795 1.045 {?} 4.935 0.105 0.151 82.148 7.706 0 0 2876 {?} 7.539 0.033 0.042 {?} 112.924 0.864 1.022 {?} 9.683 0.086 0.105 137.828 6.829 0 0 2877 {103.H} 7.539 0.022 0.007 {103.N} 112.855 0.799 0.236 {104.H} 7.804 0.156 0.077 946.119 3.001 0 0 2878 {?} 6.854 0.034 0.025 {?} 112.966 0.588 0.437 {?} 7.610 0.194 0.355 27.968 4.147 0 0 2879 {103.H} 7.539 0.018 0.024 {103.N} 112.855 0.645 0.301 {103.H} 7.540 0.145 0.086 7060.401 3.399 0 0 2880 {?} 7.538 0.029 0.021 {?} 112.833 1.124 0.883 {?} 7.292 0.134 0.192 857.435 3.925 0 0 2881 {?} 7.539 0.037 0.026 {?} 112.844 0.970 0.580 {?} 7.039 0.105 0.151 2023.774 3.448 0 0 2882 {103.H} 7.538 0.024 0.016 {103.N} 112.815 0.923 0.580 {103.HD1} 6.554 0.134 0.192 1497.806 3.687 0 0 2883 {?} 7.537 0.037 0.046 {?} 112.824 0.732 0.853 {?} 6.217 0.126 0.156 268.935 6.314 0 0 2884 {?} 7.536 0.036 0.021 {?} 112.793 0.641 0.279 {?} 6.048 0.232 0.331 477.976 3.333 0 0 2885 {103.H} 7.539 0.028 0.025 {103.N} 112.821 0.627 0.547 {102.H} 5.904 0.211 0.301 1184.231 4.627 0 0 2886 {?} 7.539 0.027 0.021 {?} 112.784 0.662 0.439 {?} 5.296 0.134 0.192 498.464 3.899 0 0 2887 {?} 7.539 0.026 0.024 {?} 112.849 0.900 0.832 {?} 5.142 0.070 0.133 416.467 4.733 0 0 2888 {103.H} 7.539 0.023 0.011 {103.N} 112.837 0.893 0.436 {103.HA} 4.727 0.175 0.088 220.967 3.365 0 0 2889 {?} 7.539 0.027 0.017 {?} 112.849 1.037 0.668 {?} 4.187 0.076 0.053 710.405 3.568 0 0 2890 {103.H} 7.536 0.027 0.013 {103.N} 112.872 0.786 0.234 {104.HA2} 4.061 0.036 0.025 568.367 3.032 0 0 2891 {103.H} 7.539 0.027 0.006 {103.N} 112.826 0.895 0.123 {104.HA3} 3.789 0.170 0.052 1074.343 2.777 0 0 2892 {?} 7.540 0.021 0.004 {?} 112.841 1.019 0.180 {?} 3.532 0.064 0.044 549.216 2.806 0 0 2893 {103.H} 7.539 0.027 0.016 {103.N} 112.830 1.002 0.499 {103.HB2} 3.288 0.190 0.271 1602.531 3.445 0 0 2894 {103.H} 7.541 0.043 0.014 {103.N} 112.854 0.791 0.214 {129.HB2} 3.121 0.147 0.211 232.380 2.981 0 0 2895 {?} 7.540 0.027 0.041 {?} 112.849 0.565 0.882 {?} 2.725 0.147 0.211 216.065 8.692 0 0 2896 {?} 7.539 0.035 0.037 {?} 112.846 0.685 0.791 {?} 2.545 0.104 0.113 1276.820 5.824 0 0 2897 {?} 7.539 0.040 0.026 {?} 112.821 0.848 0.625 {?} 1.966 0.147 0.211 834.394 3.885 0 0 2898 {?} 7.540 0.031 0.050 {?} 112.832 0.503 0.836 {?} 1.447 0.105 0.151 1857.461 10.207 0 0 2899 {?} 7.539 0.029 0.041 {?} 112.867 0.750 0.934 {?} 1.141 0.068 0.077 268.209 7.077 0 0 2900 {?} 7.539 0.020 0.054 {?} 112.858 0.911 1.053 {?} 0.857 0.094 0.107 2484.623 6.572 0 0 2901 {?} 7.539 0.033 0.044 {?} 112.822 0.855 1.144 {?} 0.597 0.086 0.109 1242.872 8.724 0 0 2902 {103.H} 7.539 0.033 0.044 {103.N} 112.846 0.855 1.144 {102.HB3} 0.487 0.086 0.109 1757.638 8.724 0 0 2903 {?} 7.539 0.036 0.047 {?} 112.810 0.740 0.982 {?} 0.237 0.072 0.088 932.174 7.430 0 0 2904 {3.H} 9.085 0.032 0.048 {3.N} 112.455 0.891 1.215 {3.H} 9.082 0.073 0.102 4217.755 9.477 0 0 2905 {?} 9.084 0.034 0.059 {?} 112.468 0.714 1.170 {?} 8.912 0.103 0.194 1272.247 17.664 0 0 2906 {3.H} 9.085 0.028 0.026 {3.N} 112.470 0.822 0.766 {7.H} 7.988 0.054 0.110 697.688 4.754 0 0 2907 {?} 6.789 0.043 0.097 {?} 112.669 0.797 1.268 {?} 7.510 0.123 0.296 43.903 13.178 0 0 2908 {?} 9.083 0.033 0.062 {?} 112.467 0.718 1.215 {?} 7.282 0.093 0.192 167.120 16.760 0 0 2909 {?} 6.878 0.027 0.029 {?} 112.699 0.925 0.972 {?} 6.871 0.138 0.146 1442.889 5.565 0 0 2910 {?} 6.855 0.039 0.093 {?} 112.727 0.746 1.079 {?} 6.846 0.147 0.211 1130.951 10.391 0 0 2911 {?} 7.520 0.040 0.057 {?} 112.689 0.749 1.112 {?} 6.789 0.045 0.128 147.889 9.671 0 0 2912 {?} 6.790 0.027 0.013 {?} 112.613 0.852 0.354 {?} 6.781 0.145 0.057 342.981 3.295 0 0 2913 {?} 9.081 0.025 0.011 {?} 112.536 1.272 0.501 {?} 5.196 0.095 0.043 100.216 3.161 0 0 2914 {3.H} 9.084 0.037 0.040 {3.N} 112.468 0.793 0.880 {3.HB} 4.664 0.053 0.128 449.791 5.848 0 0 2915 {?} 9.085 0.038 0.067 {?} 112.494 0.756 1.207 {?} 4.547 0.092 0.170 451.247 16.337 0 0 2916 {?} 9.086 0.034 0.040 {?} 112.477 0.811 1.052 {?} 2.564 0.077 0.099 1162.085 7.254 0 0 2917 {?} 9.087 0.034 0.037 {?} 112.500 0.791 0.850 {?} 1.965 0.137 0.146 384.833 5.632 0 0 2918 {?} 9.085 0.036 0.062 {?} 112.459 0.759 1.178 {?} 1.410 0.099 0.176 2874.716 13.500 0 0 2919 {?} 9.085 0.033 0.047 {?} 112.457 0.810 1.038 {?} 1.249 0.120 0.169 2673.403 7.790 0 0 2920 {?} 9.076 0.035 0.048 {?} 112.454 0.779 1.069 {?} 0.678 0.128 0.183 61.029 8.946 0 0 2921 {3.H} 9.085 0.024 0.052 {3.N} 112.443 0.612 1.358 {132.HD21} 0.530 0.050 0.158 131.814 18.924 0 0 2922 {3.H 3.H} 9.082 0.040 0.048 {3.N 3.N} 112.535 0.747 0.943 {7.HG 7.HD12} 0.292 0.079 0.192 119.161 7.486 0 0 2923 {3.H} 9.083 0.034 0.049 {3.N} 112.436 0.791 1.101 {6.H} 7.441 0.050 0.192 1015.325 9.484 0 0 2924 {?} 9.076 0.037 0.052 {?} 112.410 0.963 1.116 {?} 3.336 0.147 0.211 81.054 6.711 0 0 2925 {3.H} 9.085 0.037 0.110 {3.N} 112.427 0.742 1.242 {6.HB3} 2.962 0.175 0.331 1570.766 15.021 0 0 2926 {3.H} 9.085 0.036 0.071 {3.N} 112.434 0.775 1.280 {2.HB3} 1.644 0.168 0.331 2714.829 15.770 0 0 2927 {144.H} 8.950 0.031 0.090 {144.N} 111.575 0.561 1.626 {141.H} 9.346 0.172 0.246 61.931 32.415 0 0 2928 {144.H} 8.951 0.023 0.006 {144.N} 111.616 1.016 0.253 {144.H} 8.951 0.096 0.029 5706.550 2.924 0 0 2929 {144.H} 8.951 0.028 0.078 {144.N} 111.609 0.994 1.958 {143.H} 8.816 0.190 0.271 2274.660 32.237 0 0 2930 {?} 8.950 0.043 0.127 {?} 111.631 0.818 1.349 {?} 8.684 0.108 0.243 638.389 16.820 0 0 2931 {?} 8.953 0.035 0.069 {?} 111.625 0.768 1.417 {?} 8.531 0.106 0.211 818.823 18.764 0 0 2932 {144.H} 8.950 0.041 0.082 {144.N} 111.636 0.742 1.427 {146.H} 8.433 0.108 0.177 859.954 29.506 0 0 2933 {144.H} 8.949 0.037 0.039 {144.N} 111.599 0.655 0.709 {142.HE22} 8.053 0.102 0.146 94.214 5.658 0 0 2934 {?} 8.951 0.039 0.104 {?} 111.771 0.715 1.744 {?} 7.909 0.101 0.144 27.305 36.086 0 0 2935 {?} 7.679 0.033 0.097 {?} 111.555 0.725 1.446 {?} 7.674 0.072 0.148 1169.966 36.460 0 0 2936 {?} 6.927 0.026 0.037 {?} 111.534 0.538 0.920 {?} 7.674 0.033 0.102 2529.077 10.026 0 0 2937 {?} 8.946 0.040 0.105 {?} 111.524 0.641 1.478 {?} 7.379 0.029 0.131 100.996 29.559 0 0 2938 {?} 8.948 0.036 0.087 {?} 111.620 0.791 1.456 {?} 7.101 0.147 0.211 38.558 25.779 0 0 2939 {?} 7.679 0.034 0.084 {?} 111.567 0.831 1.866 {?} 6.923 0.105 0.151 2204.337 36.221 0 0 2940 {?} 6.927 0.033 0.073 {?} 111.531 0.854 1.473 {?} 6.924 0.105 0.151 7244.156 15.453 0 0 2941 {?} 6.927 0.033 0.072 {?} 111.568 0.858 1.655 {?} 6.571 0.105 0.151 363.475 24.568 0 0 2942 {?} 8.951 0.028 0.068 {?} 111.641 0.891 1.935 {?} 6.512 0.043 0.182 22.592 23.574 0 0 2943 {?} 6.926 0.036 0.057 {?} 111.587 0.641 0.865 {?} 6.429 0.072 0.090 301.587 7.645 0 0 2944 {?} 8.948 0.029 0.069 {?} 111.527 1.037 1.868 {?} 6.168 0.102 0.151 32.113 27.867 0 0 2945 {?} 8.952 0.039 0.063 {?} 111.579 0.832 1.207 {?} 5.424 0.099 0.161 73.592 10.815 0 0 2946 {?} 8.951 0.033 0.057 {?} 111.580 0.910 1.432 {?} 5.247 0.110 0.174 125.901 12.430 0 0 2947 {?} 8.951 0.025 0.055 {?} 111.693 0.645 1.304 {?} 5.066 0.061 0.105 179.963 15.986 0 0 2948 {144.H} 8.947 0.039 0.039 {144.N} 111.587 0.728 0.738 {141.HA} 4.653 0.058 0.058 351.499 5.282 0 0 2949 {144.H} 8.950 0.033 0.041 {144.N} 111.595 0.937 1.124 {141.HB2} 4.353 0.078 0.095 888.062 7.049 0 0 2950 {144.H} 8.951 0.023 0.008 {144.N} 111.621 0.976 0.282 {143.HA} 4.171 0.115 0.049 1249.728 3.049 0 0 2951 {?} 6.923 0.041 0.048 {?} 111.542 0.639 0.786 {?} 4.159 0.079 0.091 45.081 6.601 0 0 2952 {144.H} 8.952 0.038 0.120 {144.N} 111.618 0.670 1.430 {144.HA2} 3.971 0.075 0.221 1207.313 40.916 0 0 2953 {?} 8.952 0.032 0.043 {?} 111.622 0.574 0.866 {?} 3.807 0.091 0.116 973.186 8.523 0 0 2954 {?} 6.925 0.032 0.183 {?} 111.524 0.627 0.895 {?} 3.652 0.095 0.150 21.799 115.080 0 0 2955 {?} 6.924 0.032 0.183 {?} 111.522 0.627 0.895 {?} 2.662 0.095 0.150 22.258 115.080 0 0 2956 {144.H} 8.951 0.039 0.061 {144.N} 111.598 0.752 1.046 {146.HG2} 2.507 0.068 0.107 349.822 9.730 0 0 2957 {?} 7.679 0.036 0.082 {?} 111.565 0.579 1.112 {?} 2.483 0.105 0.151 527.083 14.303 0 0 2958 {?} 6.927 0.035 0.061 {?} 111.550 0.643 1.212 {?} 2.474 0.092 0.175 882.170 15.463 0 0 2959 {?} 7.678 0.033 0.137 {?} 111.581 0.632 1.374 {?} 2.373 0.073 0.271 286.017 42.454 0 0 2960 {?} 6.929 0.030 0.045 {?} 111.586 0.669 1.054 {?} 2.213 0.147 0.211 379.580 10.167 0 0 2961 {?} 8.951 0.032 0.063 {?} 111.630 0.649 1.141 {?} 2.092 0.102 0.211 1572.041 13.124 0 0 2962 {?} 6.927 0.035 0.058 {?} 111.521 0.860 1.236 {?} 1.933 0.103 0.155 105.618 10.920 0 0 2963 {?} 7.676 0.035 0.051 {?} 111.590 0.520 0.687 {?} 1.913 0.116 0.158 7.897 7.672 0 0 2964 {?} 8.950 0.027 0.012 {?} 111.616 0.817 0.331 {?} 1.894 0.147 0.211 225.290 3.227 0 0 2965 {144.H} 8.950 0.036 0.054 {144.N} 111.586 0.866 1.213 {146.HB2} 1.720 0.102 0.190 153.589 10.750 0 0 2966 {144.H} 8.952 0.030 0.017 {144.N} 111.619 0.861 0.531 {143.HB1} 1.455 0.190 0.271 2639.524 3.491 0 0 2967 {144.H 144.H} 8.951 0.034 0.023 {144.N 144.N} 111.607 0.811 0.521 {145.HD21 145.HD23} 0.955 0.190 0.271 926.851 3.878 0 0 2968 {144.H 144.H 144.H} 8.953 0.034 0.026 {144.N 144.N 144.N} 111.577 0.751 0.487 {140.HG11 140.HG12 140.HG13} 0.764 0.190 0.271 160.972 3.875 0 0 2969 {?} 8.952 0.026 0.020 {?} 111.608 0.706 0.525 {?} 0.191 0.104 0.182 552.611 4.182 0 0 2970 {?} 6.928 0.034 0.028 {?} 111.480 0.630 0.494 {?} 6.179 0.147 0.211 70.652 4.285 0 0 2971 {?} 6.928 0.025 0.024 {?} 111.448 0.833 0.798 {?} 4.535 0.172 0.246 20.407 4.898 0 0 2972 {?} 7.678 0.031 0.036 {?} 111.493 0.843 0.917 {?} 2.215 0.172 0.246 234.474 5.902 0 0 2973 {?} 6.931 0.036 0.025 {?} 111.498 0.774 0.493 {?} 1.173 0.147 0.211 37.426 3.689 0 0 2974 {84.H} 9.484 0.030 0.055 {84.N} 111.051 0.656 1.146 {84.H} 9.485 0.131 0.240 3404.943 16.063 0 0 2975 {?} 9.481 0.037 0.072 {?} 110.967 0.618 1.178 {?} 8.968 0.068 0.111 52.252 17.028 0 0 2976 {84.H} 9.483 0.031 0.070 {84.N} 111.058 0.610 1.253 {50.H} 8.682 0.075 0.133 871.808 22.122 0 0 2977 {?} 9.483 0.030 0.043 {?} 111.038 0.622 0.949 {?} 7.481 0.067 0.089 757.038 8.498 0 0 2978 {?} 9.484 0.029 0.012 {?} 111.059 0.877 0.371 {?} 7.135 0.082 0.031 1105.457 3.122 0 0 2979 {?} 9.485 0.030 0.022 {?} 111.077 1.088 0.852 {?} 6.943 0.087 0.067 59.473 3.999 0 0 2980 {?} 9.488 0.038 0.069 {?} 111.023 0.563 1.109 {?} 4.922 0.099 0.167 146.568 15.098 0 0 2981 {?} 9.487 0.038 0.069 {?} 111.099 0.563 1.109 {?} 4.728 0.099 0.167 159.761 15.098 0 0 2982 {?} 9.482 0.035 0.062 {?} 111.057 0.612 1.165 {?} 4.335 0.095 0.174 405.484 14.251 0 0 2983 {?} 9.482 0.035 0.064 {?} 111.150 0.703 1.126 {?} 4.007 0.105 0.151 112.389 14.282 0 0 2984 {84.H} 9.483 0.032 0.059 {84.N} 111.058 0.612 1.118 {83.HB2} 3.466 0.105 0.151 1919.696 13.310 0 0 2985 {84.H} 9.483 0.032 0.059 {84.N} 111.048 0.612 1.118 {84.HA2} 3.177 0.105 0.151 1837.880 13.310 0 0 2986 {84.H} 9.483 0.038 0.068 {84.N} 111.053 0.715 1.163 {83.HB3} 3.031 0.105 0.151 753.405 15.374 0 0 2987 {?} 9.486 0.033 0.128 {?} 111.044 0.619 1.309 {?} 2.197 0.147 0.211 222.948 27.769 0 0 2988 {?} 9.483 0.039 0.082 {?} 111.009 0.832 1.563 {?} 1.948 0.066 0.207 182.611 21.024 0 0 2989 {?} 9.482 0.032 0.088 {?} 111.061 0.607 1.331 {?} 1.659 0.063 0.090 1530.571 28.701 0 0 2990 {?} 9.482 0.038 0.103 {?} 111.035 0.662 1.356 {?} 1.427 0.132 0.274 818.146 36.193 0 0 2991 {84.H} 9.481 0.032 0.146 {84.N} 111.105 0.604 1.358 {50.HB3} 1.251 0.134 0.192 316.221 44.022 0 0 2992 {?} 9.488 0.032 0.160 {?} 110.985 0.605 1.579 {?} 0.993 0.099 0.151 81.880 54.443 0 0 2993 {?} 9.484 0.041 0.051 {?} 111.051 0.576 0.757 {?} 0.761 0.144 0.178 738.254 7.278 0 0 2994 {?} 9.481 0.033 0.155 {?} 111.053 0.589 1.353 {?} 0.625 0.088 0.192 809.668 42.381 0 0 2995 {?} 9.483 0.029 0.057 {?} 111.052 0.693 1.367 {?} 0.407 0.105 0.151 1753.748 15.165 0 0 2996 {?} 7.883 0.032 0.073 {?} 110.334 0.639 1.110 {?} 7.872 0.071 0.114 19.263 15.386 0 0 2997 {127.H} 9.096 0.041 0.074 {127.N} 110.095 0.648 1.123 {127.H} 9.091 0.157 0.226 4856.408 14.613 0 0 2998 {?} 9.095 0.041 0.074 {?} 110.117 0.648 1.123 {?} 8.843 0.157 0.226 475.913 14.613 0 0 2999 {?} 9.094 0.032 0.128 {?} 110.103 0.587 1.339 {?} 8.722 0.075 0.175 405.208 38.525 0 0 3000 {127.H} 9.097 0.031 0.084 {127.N} 110.052 0.605 1.323 {125.H} 8.525 0.084 0.143 201.008 29.073 0 0 3001 {127.H} 9.101 0.031 0.084 {127.N} 110.131 0.605 1.323 {142.HE22} 8.061 0.084 0.143 104.239 29.073 0 0 3002 {?} 9.091 0.032 0.088 {?} 110.056 0.531 1.183 {?} 7.444 0.065 0.146 129.473 25.165 0 0 3003 {127.H} 9.096 0.033 0.085 {127.N} 110.089 0.568 1.344 {128.H} 6.947 0.075 0.158 433.563 38.709 0 0 3004 {?} 9.096 0.033 0.066 {?} 110.101 0.709 1.216 {?} 5.415 0.086 0.167 1122.603 21.587 0 0 3005 {?} 9.095 0.034 0.135 {?} 110.106 0.670 1.882 {?} 4.891 0.098 0.224 281.099 74.726 0 0 3006 {?} 9.096 0.032 0.066 {?} 110.150 0.549 1.238 {?} 4.774 0.110 0.156 530.807 20.796 0 0 3007 {?} 9.098 0.034 0.071 {?} 110.090 0.617 1.116 {?} 4.368 0.105 0.151 241.954 16.934 0 0 3008 {127.H} 9.097 0.035 0.053 {127.N} 110.151 0.617 1.018 {41.HA2} 4.210 0.091 0.360 54.327 10.525 0 0 3009 {?} 9.095 0.018 0.005 {?} 110.072 0.918 0.286 {?} 3.708 0.091 0.032 262.581 3.046 0 0 3010 {127.H} 9.095 0.029 0.027 {127.N} 110.111 0.659 0.624 {126.HD3} 3.422 0.161 0.149 372.714 4.953 0 0 3011 {127.H} 9.095 0.030 0.059 {127.N} 110.073 0.564 1.132 {126.HD2} 3.294 0.084 0.147 305.540 18.080 0 0 3012 {?} 9.092 0.034 0.035 {?} 110.139 0.642 0.689 {?} 3.134 0.105 0.151 141.136 5.626 0 0 3013 {?} 9.099 0.038 0.046 {?} 110.127 0.593 0.739 {?} 2.810 0.140 0.211 408.936 6.692 0 0 3014 {?} 9.095 0.025 0.015 {?} 110.099 0.887 0.466 {?} 2.251 0.123 0.175 2142.555 3.429 0 0 3015 {127.H} 9.096 0.029 0.020 {127.N} 110.097 0.650 0.418 {126.HB3} 1.995 0.147 0.211 3359.804 3.845 0 0 3016 {?} 9.096 0.035 0.028 {?} 110.099 0.723 0.590 {?} 1.842 0.184 0.110 1042.282 4.397 0 0 3017 {127.H 127.H} 9.096 0.026 0.021 {127.N 127.N} 110.086 0.805 0.599 {126.HG2 126.HG3} 1.708 0.147 0.211 1244.611 4.162 0 0 3018 {?} 9.096 0.044 0.022 {?} 110.107 0.768 0.236 {?} 1.350 0.147 0.211 763.656 3.075 0 0 3019 {?} 9.094 0.034 0.025 {?} 110.114 0.792 0.632 {?} 1.167 0.134 0.192 144.996 3.907 0 0 3020 {127.H} 9.096 0.030 0.024 {127.N} 110.098 0.677 0.459 {127.HG21} 0.957 0.134 0.192 4036.165 3.941 0 0 3021 {127.H} 9.096 0.038 0.022 {127.N} 110.095 0.955 0.589 {127.HG11} 0.786 0.118 0.169 1461.718 3.741 0 0 3022 {?} 8.631 0.028 0.022 {?} 109.784 0.692 0.506 {?} 9.145 0.147 0.211 889.712 4.111 0 0 3023 {44.H} 8.216 0.048 0.050 {44.N} 109.705 0.728 0.767 {43.H} 9.149 0.105 0.151 1156.593 5.484 0 0 3024 {63.H} 8.631 0.029 0.036 {63.N} 109.784 0.536 0.660 {62.H} 8.927 0.054 0.068 484.789 6.792 0 0 3025 {63.H} 8.631 0.044 0.013 {63.N} 109.789 0.269 0.128 {63.H} 8.641 0.102 0.063 4552.414 3.425 0 0 3026 {44.H} 8.216 0.030 0.061 {44.N} 109.764 0.612 1.137 {63.H} 8.641 0.138 0.191 199.422 17.890 0 0 3027 {44.H} 8.216 0.036 0.049 {44.N} 109.704 0.672 0.993 {44.H} 8.224 0.145 0.182 7416.002 9.153 0 0 3028 {63.H} 8.632 0.044 0.010 {63.N} 109.787 0.807 0.201 {64.H} 8.207 0.238 0.071 516.260 2.957 0 0 3029 {?} 8.208 0.022 0.014 {?} 109.814 0.931 0.609 {?} 7.698 0.096 0.057 21.478 3.608 0 0 3030 {63.H} 8.629 0.032 0.103 {63.N} 109.825 0.537 1.347 {65.H} 7.670 0.088 0.171 229.121 62.243 0 0 3031 {?} 8.214 0.033 0.025 {?} 109.650 0.663 0.463 {?} 7.546 0.108 0.068 104.207 4.007 0 0 3032 {?} 8.629 0.029 0.025 {?} 109.776 0.658 0.540 {?} 7.497 0.231 0.190 103.867 4.420 0 0 3033 {?} 8.223 0.029 0.034 {?} 109.732 0.581 0.675 {?} 7.446 0.274 0.391 173.450 6.225 0 0 3034 {?} 8.634 0.032 0.049 {?} 109.789 0.556 0.845 {?} 7.380 0.147 0.211 279.733 8.808 0 0 3035 {?} 8.636 0.033 0.109 {?} 109.856 0.645 1.585 {?} 7.228 0.139 0.227 40.349 68.731 0 0 3036 {?} 8.218 0.037 0.058 {?} 109.715 0.464 0.682 {?} 7.115 0.103 0.150 397.852 9.867 0 0 3037 {?} 8.626 0.034 0.091 {?} 109.891 0.686 1.609 {?} 6.960 0.137 0.236 5.382 55.104 0 0 3038 {?} 8.217 0.034 0.048 {?} 109.707 0.686 0.974 {?} 6.952 0.147 0.211 561.653 8.296 0 0 3039 {44.H} 8.217 0.035 0.087 {44.N} 109.666 0.648 1.355 {46.HD22} 6.568 0.079 0.180 105.031 37.164 0 0 3040 {?} 8.218 0.034 0.040 {?} 109.710 0.650 0.786 {?} 5.791 0.085 0.105 323.799 6.962 0 0 3041 {?} 8.215 0.030 0.052 {?} 109.639 0.691 1.060 {?} 5.301 0.068 0.096 98.105 10.648 0 0 3042 {?} 8.632 0.027 0.019 {?} 109.750 0.854 0.534 {?} 5.030 0.062 0.039 165.536 3.706 0 0 3043 {?} 8.216 0.028 0.055 {?} 109.723 0.605 1.039 {?} 5.014 0.072 0.106 358.092 12.382 0 0 3044 {?} 8.628 0.027 0.067 {?} 109.778 0.640 1.272 {?} 4.912 0.082 0.153 246.408 26.602 0 0 3045 {?} 8.214 0.034 0.056 {?} 109.660 0.773 1.171 {?} 4.747 0.079 0.125 113.646 13.546 0 0 3046 {?} 8.630 0.030 0.071 {?} 109.807 0.677 1.325 {?} 4.661 0.105 0.151 480.959 27.008 0 0 3047 {?} 8.631 0.029 0.160 {?} 109.735 0.642 1.994 {?} 4.272 0.082 0.116 859.270 167.204 0 0 3048 {44.H} 8.215 0.034 0.122 {44.N} 109.695 0.988 3.015 {42.HA2} 4.232 0.082 0.331 873.676 140.787 0 0 3049 {?} 8.216 0.034 0.122 {?} 109.710 0.988 3.015 {?} 4.111 0.082 0.331 1209.794 140.787 0 0 3050 {63.H} 8.631 0.030 0.050 {63.N} 109.790 0.682 1.012 {63.HA3} 4.063 0.096 0.137 835.557 9.587 0 0 3051 {?} 8.631 0.026 0.037 {?} 109.788 0.737 1.053 {?} 3.938 0.105 0.151 1771.376 9.223 0 0 3052 {?} 8.631 0.031 0.113 {?} 109.783 0.656 1.624 {?} 3.426 0.060 0.168 2130.949 77.043 0 0 3053 {?} 8.215 0.035 0.138 {?} 109.705 0.923 2.050 {?} 3.353 0.086 0.157 232.321 43.821 0 0 3054 {63.H} 8.633 0.035 0.138 {63.N} 109.747 0.923 2.050 {45.HE3} 3.227 0.086 0.157 111.895 43.821 0 0 3055 {63.H} 8.631 0.047 0.067 {63.N} 109.754 0.818 1.413 {43.HB2} 3.127 0.066 0.122 15.466 18.668 0 0 3056 {?} 8.216 0.047 0.067 {?} 109.710 0.818 1.413 {?} 3.116 0.066 0.122 1873.629 18.668 0 0 3057 {?} 8.216 0.028 0.044 {?} 109.704 0.629 1.023 {?} 2.962 0.112 0.222 759.826 10.943 0 0 3058 {63.H} 8.631 0.042 0.041 {63.N} 109.810 0.673 0.630 {64.HG3} 2.272 0.105 0.151 320.998 4.907 0 0 3059 {63.H} 8.633 0.032 0.077 {63.N} 109.813 0.654 1.265 {64.HG2} 2.135 0.064 0.128 480.348 42.765 0 0 3060 {?} 8.216 0.034 0.014 {?} 109.734 0.778 0.277 {?} 1.977 0.061 0.052 932.793 3.136 0 0 3061 {63.H} 8.631 0.032 0.173 {63.N} 109.790 0.842 1.718 {62.HB2} 1.877 0.080 0.115 1539.787 173.523 0 0 3062 {?} 8.216 0.025 0.025 {?} 109.699 0.499 0.486 {?} 1.737 0.190 0.271 518.933 5.077 0 0 3063 {63.H} 8.631 0.028 0.027 {63.N} 109.793 0.540 0.521 {62.HB3} 1.707 0.084 0.081 1867.246 5.042 0 0 3064 {?} 8.632 0.022 0.006 {?} 109.784 0.813 0.219 {?} 1.582 0.110 0.123 794.196 2.967 0 0 3065 {?} 8.631 0.029 0.049 {?} 109.789 0.764 1.315 {?} 1.159 0.105 0.151 831.678 15.113 0 0 3066 {?} 8.215 0.021 0.004 {?} 109.705 0.662 0.126 {?} 1.128 0.134 0.192 532.855 2.880 0 0 3067 {?} 8.631 0.031 0.050 {?} 109.786 0.705 0.940 {?} 0.908 0.063 0.090 3339.775 8.927 0 0 3068 {?} 8.215 0.024 0.011 {?} 109.698 0.445 0.553 {?} 0.901 0.145 0.070 1270.528 3.359 0 0 3069 {?} 8.216 0.027 0.033 {?} 109.695 0.921 1.097 {?} 0.803 0.134 0.192 838.806 6.511 0 0 3070 {63.H} 8.632 0.033 0.036 {63.N} 109.791 0.412 0.947 {44.HG22} 0.570 0.105 0.151 419.488 5.527 0 0 3071 {44.H} 8.216 0.022 0.014 {44.N} 109.702 0.919 0.500 {44.HG23} 0.571 0.090 0.106 2458.581 3.382 0 0 3072 {?} 7.681 0.029 0.026 {?} 109.427 0.709 0.599 {?} 4.819 0.190 0.271 75.853 4.553 0 0 3073 {?} 7.682 0.032 0.041 {?} 109.106 0.896 1.089 {?} 9.689 0.074 0.091 5.440 7.353 0 0 3074 {132.H} 7.682 0.034 0.013 {132.N} 109.166 0.867 0.188 {132.H} 7.681 0.147 0.211 3295.466 2.895 0 0 3075 {?} 7.682 0.028 0.022 {?} 109.174 1.318 1.093 {?} 7.553 0.230 0.328 1036.977 3.828 0 0 3076 {?} 7.682 0.028 0.024 {?} 109.180 0.773 0.574 {?} 7.284 0.274 0.391 339.288 4.338 0 0 3077 {132.H} 7.682 0.030 0.042 {132.N} 109.172 0.626 0.912 {133.H} 7.077 0.131 0.203 1259.146 8.821 0 0 3078 {?} 7.682 0.023 0.016 {?} 109.146 0.465 0.740 {?} 6.914 0.172 0.246 288.300 3.817 0 0 3079 {?} 7.682 0.033 0.018 {?} 109.188 0.402 0.537 {?} 6.550 0.172 0.246 704.757 3.480 0 0 3080 {?} 7.681 0.026 0.006 {?} 109.227 1.105 0.292 {?} 6.057 0.073 0.054 164.924 2.932 0 0 3081 {?} 7.682 0.023 0.003 {?} 109.165 1.101 0.199 {?} 5.310 0.205 0.061 194.876 2.801 0 0 3082 {?} 7.682 0.025 0.011 {?} 109.112 0.473 0.692 {?} 5.174 0.134 0.192 290.806 3.086 0 0 3083 {?} 7.683 0.030 0.039 {?} 109.220 0.580 0.813 {?} 4.718 0.044 0.125 100.301 8.063 0 0 3084 {?} 7.678 0.031 0.026 {?} 109.171 0.991 0.821 {?} 3.751 0.210 0.168 299.929 4.234 0 0 3085 {132.H} 7.682 0.024 0.019 {132.N} 109.161 0.958 0.571 {132.HA} 3.522 0.190 0.271 2526.205 4.167 0 0 3086 {132.H} 7.683 0.028 0.027 {132.N} 109.160 0.613 0.587 {103.HB2} 3.317 0.096 0.137 700.994 5.006 0 0 3087 {?} 7.684 0.029 0.019 {?} 109.174 0.721 0.357 {?} 3.105 0.105 0.151 96.890 3.481 0 0 3088 {?} 7.682 0.027 0.025 {?} 109.135 0.784 0.725 {?} 2.737 0.105 0.151 332.202 4.810 0 0 3089 {132.H} 7.682 0.029 0.028 {132.N} 109.167 0.698 0.664 {103.HB3} 2.553 0.105 0.151 286.050 4.951 0 0 3090 {132.H 132.H} 7.682 0.024 0.017 {132.N 132.N} 109.169 0.995 0.701 {131.HB2 132.HB2} 2.239 0.071 0.108 1526.658 3.663 0 0 3091 {132.H} 7.681 0.024 0.032 {132.N} 109.181 0.774 1.026 {131.HB3} 2.054 0.071 0.178 986.238 7.246 0 0 3092 {132.H} 7.682 0.025 0.027 {132.N} 109.162 0.572 0.632 {132.HB3} 1.671 0.147 0.211 1246.763 5.822 0 0 3093 {?} 7.682 0.034 0.035 {?} 109.169 0.859 0.890 {?} 1.445 0.147 0.211 2663.049 5.450 0 0 3094 {132.H} 7.681 0.037 0.051 {132.N} 109.167 0.957 1.136 {132.HG} 1.129 0.096 0.137 1016.352 7.046 0 0 3095 {?} 7.683 0.034 0.043 {?} 109.172 0.621 0.866 {?} 0.849 0.062 0.156 1602.238 7.756 0 0 3096 {132.H 132.H} 7.682 0.034 0.050 {132.N 132.N} 109.171 0.762 1.199 {132.HD12 132.HD13} 0.594 0.045 0.124 2342.617 8.915 0 0 3097 {?} 7.682 0.031 0.043 {?} 109.163 0.954 1.562 {?} 0.215 0.105 0.151 520.792 8.735 0 0 3098 {153.H} 7.868 0.033 0.063 {153.N} 108.824 0.738 1.277 {150.H} 8.296 0.027 0.084 73.832 13.001 0 0 3099 {?} 7.874 0.031 0.057 {?} 108.881 0.702 1.097 {?} 8.145 0.171 0.285 122.169 13.796 0 0 3100 {153.H} 7.874 0.032 0.083 {153.N} 108.914 0.687 1.718 {153.H} 7.870 0.076 0.120 8657.570 32.087 0 0 3101 {?} 7.872 0.030 0.083 {?} 108.916 0.635 1.328 {?} 7.615 0.058 0.106 506.661 32.750 0 0 3102 {?} 7.874 0.039 0.062 {?} 108.884 0.921 1.435 {?} 7.487 0.086 0.132 371.486 11.412 0 0 3103 {153.H} 7.873 0.039 0.062 {153.N} 108.926 0.921 1.435 {152.H} 7.098 0.086 0.132 2470.980 11.412 0 0 3104 {?} 7.874 0.036 0.044 {?} 108.932 0.675 0.993 {?} 6.828 0.068 0.079 387.154 7.252 0 0 3105 {?} 7.872 0.031 0.076 {?} 108.914 0.648 1.717 {?} 6.591 0.074 0.142 900.412 20.388 0 0 3106 {?} 7.868 0.033 0.085 {?} 108.986 0.739 1.874 {?} 6.454 0.124 0.219 424.141 29.127 0 0 3107 {?} 7.871 0.025 0.013 {?} 108.871 1.020 0.459 {?} 6.321 0.070 0.029 449.367 3.272 0 0 3108 {?} 7.873 0.035 0.071 {?} 108.906 0.741 1.279 {?} 5.811 0.097 0.232 477.240 21.006 0 0 3109 {?} 7.877 0.036 0.055 {?} 108.885 0.709 1.313 {?} 5.655 0.190 0.271 268.584 11.776 0 0 3110 {?} 7.874 0.032 0.058 {?} 108.952 0.809 1.173 {?} 5.470 0.055 0.093 560.931 11.864 0 0 3111 {?} 7.870 0.032 0.043 {?} 108.884 0.693 0.923 {?} 5.288 0.103 0.155 501.819 8.488 0 0 3112 {?} 7.872 0.029 0.062 {?} 108.886 0.639 1.223 {?} 5.036 0.095 0.168 680.362 19.505 0 0 3113 {?} 7.872 0.031 0.072 {?} 108.907 0.624 1.158 {?} 4.866 0.097 0.171 661.473 18.323 0 0 3114 {?} 7.873 0.035 0.048 {?} 108.914 0.689 0.967 {?} 4.485 0.104 0.169 1246.220 9.106 0 0 3115 {153.H} 7.873 0.029 0.045 {153.N} 108.922 0.618 1.054 {152.HA} 4.266 0.105 0.248 2268.036 11.455 0 0 3116 {153.H} 7.873 0.030 0.080 {153.N} 108.915 0.663 1.335 {153.HA2} 4.022 0.132 0.331 2346.253 35.256 0 0 3117 {153.H} 7.873 0.032 0.047 {153.N} 108.914 0.876 1.208 {153.HA3} 3.812 0.061 0.222 1782.531 9.769 0 0 3118 {77.H} 7.390 0.029 0.046 {77.N} 108.733 0.987 1.453 {74.HB2} 3.059 0.110 0.240 52.199 11.100 0 0 3119 {153.H} 7.876 0.035 0.051 {153.N} 108.901 0.722 1.031 {149.HB2} 1.979 0.147 0.211 201.071 9.617 0 0 3120 {?} 7.872 0.036 0.090 {?} 108.938 0.847 1.624 {?} 1.822 0.169 0.321 829.572 24.011 0 0 3121 {153.H} 7.874 0.030 0.034 {153.N} 108.913 0.663 0.785 {152.HB2} 1.537 0.105 0.151 2153.816 6.189 0 0 3122 {?} 7.387 0.033 0.159 {?} 108.696 0.673 3.591 {?} 1.530 0.085 0.125 34.963 113.364 0 0 3123 {?} 7.874 0.030 0.138 {?} 108.870 0.633 1.774 {?} 1.387 0.078 0.130 593.148 164.947 0 0 3124 {153.H} 7.875 0.030 0.138 {153.N} 108.947 0.633 1.774 {152.HG} 1.252 0.078 0.130 380.710 164.947 0 0 3125 {?} 7.874 0.033 0.132 {?} 108.918 0.717 1.844 {?} 0.844 0.069 0.180 1959.219 137.336 0 0 3126 {153.H} 7.871 0.033 0.132 {153.N} 108.933 0.717 1.844 {149.HD22} 0.546 0.069 0.180 52.901 137.336 0 0 3127 {?} 7.874 0.032 0.060 {?} 108.909 0.691 1.489 {?} 0.388 0.079 0.211 496.481 18.598 0 0 3128 {?} 7.874 0.044 0.060 {?} 108.930 1.124 1.578 {?} -0.162 0.049 0.134 361.210 8.307 0 0 3129 {?} 8.160 0.031 0.030 {?} 108.612 0.731 0.685 {?} 9.476 0.067 0.062 29.550 4.862 0 0 3130 {54.H} 8.158 0.031 0.030 {54.N} 108.530 0.731 0.685 {51.H} 9.111 0.067 0.062 253.440 4.862 0 0 3131 {15.H} 7.613 0.037 0.104 {15.N} 108.492 0.730 1.541 {16.H} 8.723 0.087 0.179 2033.222 26.778 0 0 3132 {?} 7.612 0.024 0.015 {?} 108.541 0.849 0.470 {?} 8.368 0.059 0.026 10.998 3.355 0 0 3133 {54.H} 8.159 0.035 0.094 {54.N} 108.555 0.795 1.849 {54.H} 8.177 0.077 0.177 10501.990 44.477 0 0 3134 {15.H} 7.613 0.038 0.078 {15.N} 108.498 0.679 1.172 {13.H} 8.049 0.119 0.204 325.806 21.046 0 0 3135 {77.H} 7.390 0.030 0.037 {77.N} 108.627 0.680 0.783 {78.H} 7.775 0.088 0.099 2157.818 6.281 0 0 3136 {54.H} 8.159 0.042 0.048 {54.N} 108.554 0.512 0.580 {52.H} 7.689 0.063 0.077 522.484 6.016 0 0 3137 {15.H} 7.613 0.038 0.026 {15.N} 108.486 0.588 0.376 {15.H} 7.612 0.116 0.078 7700.899 3.830 0 0 3138 {96.H} 7.446 0.038 0.054 {96.N} 108.383 0.716 1.049 {96.H} 7.452 0.100 0.159 6091.939 10.442 0 0 3139 {15.H} 7.613 0.031 0.036 {15.N} 108.487 0.668 0.820 {14.H} 7.412 0.084 0.101 2731.297 6.409 0 0 3140 {77.H 96.H} 7.390 0.033 0.038 {77.N 96.N} 108.613 0.686 0.794 {77.H 96.H} 7.397 0.053 0.135 9991.388 6.375 0 0 3141 {?} 7.611 0.031 0.023 {?} 108.498 0.877 0.607 {?} 7.142 0.071 0.100 290.694 3.830 0 0 3142 {77.H} 7.389 0.037 0.064 {77.N} 108.620 0.631 1.169 {76.H} 7.051 0.102 0.200 1980.102 15.659 0 0 3143 {?} 7.614 0.030 0.029 {?} 108.542 0.865 0.862 {?} 6.996 0.050 0.109 215.642 5.197 0 0 3144 {?} 7.389 0.037 0.076 {?} 108.595 0.645 1.161 {?} 6.882 0.104 0.200 386.189 16.651 0 0 3145 {?} 7.616 0.034 0.068 {?} 108.471 0.755 1.169 {?} 6.854 0.147 0.211 161.397 14.084 0 0 3146 {?} 8.154 0.031 0.036 {?} 108.526 0.697 0.811 {?} 6.694 0.109 0.124 134.425 5.999 0 0 3147 {?} 7.610 0.029 0.027 {?} 108.511 0.639 0.582 {?} 6.710 0.096 0.088 98.087 4.788 0 0 3148 {96.H} 7.390 0.034 0.051 {96.N} 108.582 0.699 0.976 {95.H} 6.536 0.086 0.114 484.881 9.294 0 0 3149 {?} 7.613 0.027 0.024 {?} 108.469 0.598 0.524 {?} 6.494 0.079 0.144 520.486 4.645 0 0 3150 {96.H} 7.446 0.030 0.031 {96.N} 108.391 0.779 0.801 {95.H} 6.495 0.145 0.148 540.500 5.401 0 0 3151 {?} 7.615 0.040 0.043 {?} 108.478 0.810 0.956 {?} 6.362 0.147 0.211 131.887 6.003 0 0 3152 {?} 8.150 0.029 0.025 {?} 108.590 0.700 0.571 {?} 6.287 0.063 0.110 124.627 4.412 0 0 3153 {77.H} 7.389 0.037 0.050 {77.N} 108.590 0.856 1.111 {74.H} 6.273 0.092 0.129 681.119 7.795 0 0 3154 {?} 7.611 0.032 0.064 {?} 108.499 0.636 1.220 {?} 6.190 0.076 0.133 277.355 16.640 0 0 3155 {?} 7.437 0.038 0.071 {?} 108.413 0.680 1.136 {?} 6.081 0.096 0.264 75.801 15.586 0 0 3156 {?} 7.382 0.033 0.036 {?} 108.637 0.668 0.776 {?} 5.953 0.080 0.271 311.909 5.998 0 0 3157 {15.H} 7.611 0.037 0.070 {15.N} 108.436 0.659 1.112 {14.HD2} 5.839 0.077 0.131 378.777 15.417 0 0 3158 {?} 8.160 0.035 0.071 {?} 108.573 0.657 1.140 {?} 5.792 0.100 0.166 70.409 15.433 0 0 3159 {?} 7.614 0.028 0.024 {?} 108.444 0.316 0.262 {?} 5.665 0.094 0.080 325.641 4.450 0 0 3160 {?} 7.390 0.034 0.092 {?} 108.607 0.636 1.241 {?} 5.639 0.105 0.151 775.115 18.128 0 0 3161 {?} 8.162 0.038 0.086 {?} 108.522 0.597 1.301 {?} 5.470 0.147 0.211 213.864 21.348 0 0 3162 {?} 7.615 0.036 0.033 {?} 108.485 0.547 0.492 {?} 5.417 0.069 0.138 637.568 4.732 0 0 3163 {?} 7.389 0.038 0.091 {?} 108.541 0.730 1.536 {?} 5.366 0.107 0.250 474.310 38.094 0 0 3164 {?} 7.391 0.038 0.069 {?} 108.614 0.784 1.338 {?} 5.211 0.102 0.176 638.800 14.958 0 0 3165 {?} 7.613 0.035 0.097 {?} 108.487 0.762 1.686 {?} 5.176 0.163 0.272 386.771 38.300 0 0 3166 {?} 8.160 0.028 0.037 {?} 108.494 0.714 0.907 {?} 5.073 0.107 0.155 483.426 7.805 0 0 3167 {?} 7.613 0.033 0.056 {?} 108.464 0.671 1.051 {?} 5.057 0.081 0.129 324.988 11.131 0 0 3168 {?} 8.154 0.040 0.095 {?} 108.521 0.665 1.163 {?} 4.972 0.147 0.211 513.941 19.343 0 0 3169 {?} 7.610 0.033 0.053 {?} 108.483 0.735 1.094 {?} 4.918 0.105 0.151 180.008 11.185 0 0 3170 {96.H} 7.390 0.028 0.034 {96.N} 108.584 0.664 0.817 {96.HA} 4.721 0.082 0.095 524.128 6.225 0 0 3171 {15.H} 7.612 0.026 0.025 {15.N} 108.508 0.647 0.623 {14.HA} 4.688 0.197 0.192 260.914 5.019 0 0 3172 {?} 7.446 0.038 0.064 {?} 108.445 0.681 1.084 {?} 4.673 0.105 0.151 99.331 14.509 0 0 3173 {?} 8.159 0.034 0.074 {?} 108.558 0.686 1.169 {?} 4.552 0.105 0.151 850.219 19.749 0 0 3174 {?} 7.389 0.026 0.017 {?} 108.623 0.609 0.397 {?} 4.337 0.115 0.088 1829.148 3.866 0 0 3175 {77.H} 7.389 0.036 0.088 {77.N} 108.618 0.689 1.334 {76.HA} 4.128 0.080 0.164 2598.813 33.639 0 0 3176 {15.H} 7.613 0.035 0.037 {15.N} 108.487 0.585 0.630 {15.HA2} 4.024 0.077 0.082 4678.068 5.641 0 0 3177 {77.H 77.H} 7.444 0.024 0.039 {77.N 77.N} 108.393 0.640 1.059 {77.HA2 77.HA3} 4.020 0.057 0.106 703.466 12.354 0 0 3178 {77.H 77.H} 7.390 0.036 0.041 {77.N 77.N} 108.617 0.789 0.901 {77.HA2 77.HA3} 4.002 0.120 0.145 4377.016 6.316 0 0 3179 {?} 8.063 0.033 0.080 {?} 108.530 0.606 1.446 {?} 3.661 0.085 0.193 10.399 41.888 0 0 3180 {54.H} 8.159 0.022 0.032 {54.N} 108.557 0.704 0.950 {54.HA3} 3.428 0.085 0.115 2913.576 8.531 0 0 3181 {?} 7.619 0.035 0.067 {?} 108.444 0.614 1.332 {?} 3.387 0.062 0.162 20.052 32.218 0 0 3182 {?} 7.441 0.035 0.088 {?} 108.444 0.535 1.293 {?} 3.342 0.060 0.125 44.235 33.402 0 0 3183 {15.H} 7.609 0.035 0.048 {15.N} 108.477 0.538 0.785 {14.HB2} 3.249 0.099 0.192 346.625 8.728 0 0 3184 {54.H} 8.159 0.027 0.013 {54.N} 108.558 0.885 0.464 {51.HB2} 3.013 0.035 0.034 605.082 3.289 0 0 3185 {54.H} 8.160 0.034 0.101 {54.N} 108.565 0.601 1.717 {55.HB2} 2.414 0.084 0.161 344.807 76.779 0 0 3186 {?} 7.613 0.036 0.048 {?} 108.484 0.810 1.087 {?} 2.405 0.048 0.142 374.994 7.864 0 0 3187 {?} 7.390 0.035 0.043 {?} 108.639 0.576 0.690 {?} 2.305 0.117 0.151 126.565 6.485 0 0 3188 {?} 7.446 0.027 0.017 {?} 108.380 0.816 0.467 {?} 2.044 0.101 0.067 3151.776 3.633 0 0 3189 {96.H} 7.392 0.012 0.010 {96.N} 108.537 0.925 0.209 {95.HB} 2.064 0.131 0.069 924.919 2.913 0 0 3190 {54.H} 8.159 0.037 0.057 {54.N} 108.561 0.509 0.852 {53.HB3} 2.037 0.096 0.167 2043.004 10.277 0 0 3191 {15.H} 7.612 0.030 0.026 {15.N} 108.469 0.835 0.726 {16.HB} 1.883 0.134 0.192 188.949 4.466 0 0 3192 {77.H} 7.390 0.033 0.037 {77.N} 108.593 0.898 0.990 {76.HB} 1.837 0.105 0.151 521.846 6.016 0 0 3193 {?} 8.158 0.033 0.056 {?} 108.540 0.661 1.200 {?} 1.718 0.138 0.179 1277.440 14.113 0 0 3194 {?} 7.446 0.018 0.010 {?} 108.436 0.520 0.269 {?} 1.733 0.059 0.091 78.812 3.515 0 0 3195 {?} 8.159 0.018 0.010 {?} 108.558 0.520 0.269 {?} 1.458 0.059 0.091 1384.066 3.515 0 0 3196 {?} 7.614 0.034 0.034 {?} 108.497 0.618 0.621 {?} 1.188 0.083 0.083 598.339 5.240 0 0 3197 {?} 7.446 0.035 0.057 {?} 108.385 0.542 0.950 {?} 1.164 0.085 0.138 2941.162 11.595 0 0 3198 {54.H} 8.157 0.030 0.066 {54.N} 108.614 0.541 1.204 {50.HG3} 1.121 0.098 0.189 150.491 19.649 0 0 3199 {15.H} 7.613 0.036 0.066 {15.N} 108.489 0.541 1.110 {16.HG11} 1.030 0.107 0.176 633.760 17.992 0 0 3200 {77.H} 7.389 0.027 0.024 {77.N} 108.587 0.835 0.776 {76.HG13} 0.889 0.104 0.095 1457.196 4.721 0 0 3201 {77.H} 7.447 0.032 0.082 {77.N} 108.383 0.519 1.239 {76.HG13} 0.847 0.086 0.172 3607.750 25.428 0 0 3202 {?} 7.389 0.039 0.034 {?} 108.615 0.582 0.504 {?} 0.777 0.061 0.121 1706.950 4.600 0 0 3203 {?} 7.445 0.021 0.003 {?} 108.409 0.651 0.101 {?} 0.680 0.090 0.083 744.890 2.826 0 0 3204 {77.H} 7.389 0.032 0.070 {77.N} 108.616 0.581 1.255 {76.HG12} 0.573 0.099 0.141 4709.099 25.120 0 0 3205 {?} 7.446 0.036 0.097 {?} 108.395 0.535 1.345 {?} 0.496 0.100 0.327 1726.946 39.842 0 0 3206 {?} 7.615 0.046 0.054 {?} 108.495 0.536 0.668 {?} 0.192 0.147 0.211 168.503 6.913 0 0 3207 {77.H 77.H} 7.390 0.037 0.054 {77.N 77.N} 108.618 0.572 0.891 {76.HD11 76.HD13} -0.486 0.147 0.211 522.508 9.204 0 0 3208 {142.HE21} 6.133 0.035 0.104 {142.NE2} 108.126 0.604 1.507 {142.H} 9.186 0.144 0.205 167.277 62.049 0 0 3209 {?} 7.450 0.032 0.157 {?} 108.330 0.500 1.272 {?} 8.231 0.100 0.238 179.762 49.408 0 0 3210 {?} 6.133 0.036 0.149 {?} 108.119 0.522 1.418 {?} 5.445 0.083 0.161 54.437 87.837 0 0 3211 {?} 8.055 0.031 0.042 {?} 108.077 0.565 0.857 {?} 5.424 0.032 0.083 119.583 8.936 0 0 3212 {?} 7.446 0.035 0.086 {?} 108.274 0.586 1.321 {?} 4.555 0.168 0.240 21.367 42.089 0 0 3213 {?} 7.446 0.036 0.089 {?} 108.376 0.529 1.313 {?} 3.744 0.087 0.238 1408.795 37.353 0 0 3214 {?} 8.048 0.034 0.044 {?} 108.138 0.633 0.879 {?} 3.130 0.052 0.071 20.048 7.811 0 0 3215 {?} 7.444 0.029 0.012 {?} 108.347 0.843 0.215 {?} 2.409 0.088 0.034 200.625 2.975 0 0 3216 {142.HE22} 8.053 0.035 0.027 {142.NE2} 108.087 0.598 0.420 {122.HB1} 1.460 0.069 0.045 539.650 4.020 0 0 3217 {?} 7.444 0.026 0.051 {?} 108.373 0.527 1.007 {?} 1.433 0.068 0.114 172.777 11.750 0 0 3218 {142.HE22} 8.052 0.034 0.187 {142.NE2} 108.001 0.739 2.017 {142.H} 9.197 0.076 0.109 244.801 171.181 0 0 3219 {142.HE22 142.HE22} 8.051 0.034 0.187 {142.NE2 142.NE2} 107.900 0.739 2.017 {127.H 145.H} 9.064 0.076 0.109 58.360 171.181 0 0 3220 {142.HE22} 8.057 0.034 0.187 {142.NE2} 107.941 0.739 2.017 {143.H} 8.812 0.076 0.109 235.563 171.181 0 0 3221 {?} 6.132 0.056 0.017 {?} 107.916 0.881 0.505 {?} 8.819 0.103 0.072 102.635 3.662 0 0 3222 {?} 6.136 0.022 0.037 {?} 107.939 0.706 1.127 {?} 8.587 0.050 0.096 237.921 13.841 0 0 3223 {?} 8.054 0.037 0.066 {?} 108.019 0.817 1.219 {?} 8.573 0.105 0.151 96.519 12.229 0 0 3224 {142.HE22} 8.053 0.033 0.159 {142.NE2} 107.937 0.791 2.926 {142.HE22} 8.053 0.079 0.214 2784.166 148.121 0 0 3225 {142.HE21} 6.133 0.033 0.159 {142.NE2} 108.063 0.791 2.926 {142.HE22} 8.055 0.079 0.214 1983.581 148.121 0 0 3226 {142.HE22} 8.055 0.037 0.042 {142.NE2} 107.916 0.857 0.981 {124.H} 7.472 0.096 0.137 343.134 6.268 0 0 3227 {142.HE21} 6.133 0.027 0.086 {142.NE2} 107.999 0.711 1.558 {124.H} 7.466 0.078 0.165 581.506 83.997 0 0 3228 {76.H 76.H} 7.048 0.039 0.064 {76.N 76.N} 107.781 0.725 1.174 {75.H 77.H} 7.381 0.094 0.271 2713.560 16.350 0 0 3229 {76.H} 7.048 0.013 0.005 {76.N} 107.768 0.988 0.173 {76.H} 7.051 0.072 0.044 2397.484 2.869 0 0 3230 {142.HE22} 8.055 0.032 0.044 {142.NE2} 108.042 0.790 1.067 {142.HE21} 6.140 0.101 0.144 2198.271 8.632 0 0 3231 {142.HE21} 6.134 0.037 0.068 {142.NE2} 107.857 0.698 1.012 {142.HE21} 6.140 0.142 0.203 3287.537 10.576 0 0 3232 {?} 8.057 0.035 0.101 {?} 108.014 0.717 1.274 {?} 5.876 0.078 0.146 81.351 26.303 0 0 3233 {?} 7.061 0.030 0.057 {?} 107.910 0.610 1.075 {?} 5.340 0.082 0.125 46.070 11.943 0 0 3234 {?} 6.130 0.030 0.057 {?} 107.951 0.610 1.075 {?} 5.279 0.082 0.125 7.735 11.943 0 0 3235 {?} 7.045 0.047 0.082 {?} 107.940 0.781 1.676 {?} 4.983 0.073 0.104 44.602 118.500 0 0 3236 {?} 6.138 0.047 0.082 {?} 107.949 0.781 1.676 {?} 4.993 0.073 0.104 41.118 118.500 0 0 3237 {?} 8.048 0.033 0.061 {?} 107.936 0.707 1.126 {?} 4.761 0.095 0.167 230.555 14.390 0 0 3238 {142.HE21} 6.128 0.029 0.233 {142.NE2} 107.923 0.699 0.999 {124.HA} 4.666 0.077 0.126 223.808 931.858 0 0 3239 {?} 8.055 0.030 0.058 {?} 108.007 0.537 0.937 {?} 4.465 0.070 0.112 120.113 11.537 0 0 3240 {?} 6.134 0.035 0.104 {?} 108.021 0.587 1.359 {?} 4.465 0.103 0.151 298.753 46.346 0 0 3241 {142.HE22} 8.053 0.027 0.050 {142.NE2} 108.001 0.579 1.107 {122.HA} 4.343 0.067 0.118 286.847 11.976 0 0 3242 {76.H} 7.048 0.039 0.026 {76.N} 107.806 0.464 0.773 {73.HA} 4.348 0.023 0.014 322.089 3.763 0 0 3243 {142.HE21} 6.136 0.026 0.141 {142.NE2} 107.921 0.715 1.568 {122.HA} 4.347 0.096 0.137 621.483 42.081 0 0 3244 {76.H} 7.048 0.034 0.036 {76.N} 107.756 0.843 0.919 {76.HA} 4.144 0.105 0.151 224.496 5.637 0 0 3245 {142.HE22} 8.051 0.022 0.020 {142.NE2} 107.907 0.490 0.453 {142.HA} 4.112 0.105 0.151 129.698 4.849 0 0 3246 {?} 7.044 0.029 0.137 {?} 107.823 0.628 1.336 {?} 3.937 0.105 0.151 121.351 31.624 0 0 3247 {76.H} 7.045 0.029 0.067 {76.N} 107.865 0.527 1.481 {75.HA} 3.824 0.077 0.161 430.794 83.024 0 0 3248 {76.H} 7.047 0.029 0.067 {76.N} 107.844 0.527 1.481 {74.HB2} 3.058 0.077 0.161 200.256 83.024 0 0 3249 {?} 8.053 0.044 0.064 {?} 107.969 0.765 1.094 {?} 2.806 0.084 0.279 1367.662 10.036 0 0 3250 {76.H 76.H} 7.048 0.040 0.066 {76.N 76.N} 107.796 0.696 1.258 {73.HB3 74.HB3} 2.831 0.099 0.360 58.363 18.395 0 0 3251 {?} 6.134 0.031 0.082 {?} 108.026 0.603 1.254 {?} 2.803 0.134 0.192 759.782 25.722 0 0 3252 {142.HE22} 8.053 0.026 0.037 {142.NE2} 107.963 0.830 2.264 {142.HB3} 2.557 0.093 0.133 959.837 98.574 0 0 3253 {142.HE21} 6.134 0.059 0.082 {142.NE2} 108.013 0.892 1.666 {142.HB3} 2.554 0.100 0.143 539.165 128.100 0 0 3254 {?} 8.053 0.059 0.082 {?} 107.962 0.892 1.666 {?} 2.308 0.100 0.143 833.254 128.100 0 0 3255 {?} 6.133 0.058 0.082 {?} 107.960 0.825 1.827 {?} 2.307 0.105 0.151 745.495 18.383 0 0 3256 {142.HE22} 8.055 0.032 0.060 {142.NE2} 107.988 0.700 1.097 {142.HB2} 2.113 0.230 0.328 972.734 13.951 0 0 3257 {?} 6.134 0.028 0.121 {?} 107.999 0.532 1.194 {?} 2.113 0.134 0.192 566.397 25.974 0 0 3258 {?} 7.047 0.031 0.060 {?} 107.761 0.764 1.632 {?} 2.074 0.070 0.099 1445.439 239.122 0 0 3259 {76.H} 7.048 0.031 0.060 {76.N} 107.765 0.764 1.632 {76.HB} 1.837 0.070 0.099 640.053 239.122 0 0 3260 {142.HE21} 6.130 0.024 0.097 {142.NE2} 108.030 0.696 1.128 {127.HB} 1.712 0.105 0.151 189.153 16.456 0 0 3261 {?} 8.057 0.027 0.034 {?} 108.048 0.812 0.469 {?} 1.605 0.190 0.271 92.764 3.590 0 0 3262 {?} 6.134 0.027 0.056 {?} 107.924 0.653 1.096 {?} 1.585 0.105 0.151 352.291 13.390 0 0 3263 {?} 7.047 0.036 0.172 {?} 107.827 0.734 1.837 {?} 1.536 0.090 0.167 426.774 46.106 0 0 3264 {142.HE21} 6.134 0.047 0.067 {142.NE2} 107.941 0.630 1.080 {122.HB1} 1.457 0.109 0.151 837.922 11.402 0 0 3265 {142.HE22 142.HE22 142.HE22} 8.051 0.018 0.046 {142.NE2 142.NE2 142.NE2} 108.061 0.804 0.938 {145.HD11 145.HD12 145.HD13} 1.184 0.118 0.298 106.225 6.653 0 0 3266 {?} 7.050 0.027 0.055 {?} 107.765 0.714 1.071 {?} 1.186 0.105 0.151 165.820 12.286 0 0 3267 {142.HE21} 6.133 0.027 0.045 {142.NE2} 107.936 0.715 1.027 {145.HD13} 1.178 0.105 0.151 303.181 9.941 0 0 3268 {142.HE22 142.HE22 142.HE22} 8.053 0.033 0.048 {142.NE2 142.NE2 142.NE2} 107.936 0.688 0.337 {145.HD21 145.HD22 145.HD23} 0.947 0.134 0.192 946.554 3.454 0 0 3269 {142.HE21 142.HE21 142.HE21 142.HE21} 6.135 0.025 0.009 {142.NE2 142.NE2 142.NE2 142.NE2} 107.947 0.953 0.347 {127.HG23 145.HD21 145.HD22 145.HD23} 0.939 0.134 0.192 751.856 3.136 0 0 3270 {76.H} 7.049 0.020 0.034 {76.N} 107.778 0.662 0.496 {76.HG13} 0.894 0.119 0.091 3020.770 4.166 0 0 3271 {142.HE22 142.HE22 142.HE22} 8.054 0.038 0.080 {142.NE2 142.NE2 142.NE2} 107.987 0.728 1.212 {127.HG11 127.HG12 127.HG13} 0.792 0.094 0.151 1361.711 19.537 0 0 3272 {142.HE21 142.HE21 142.HE21} 6.133 0.030 0.125 {142.NE2 142.NE2 142.NE2} 107.964 0.559 1.319 {127.HG11 127.HG12 127.HG13} 0.792 0.161 0.272 1800.545 23.355 0 0 3273 {?} 7.048 0.026 0.036 {?} 107.788 0.589 0.899 {?} 0.773 0.149 0.176 1883.704 7.558 0 0 3274 {?} 7.047 0.025 0.020 {?} 107.769 0.660 0.502 {?} 0.584 0.094 0.134 5028.161 4.204 0 0 3275 {76.H} 7.047 0.034 0.049 {76.N} 107.758 0.777 0.733 {76.HD13} -0.483 0.117 0.108 1006.476 4.900 0 0 3276 {76.H} 7.049 0.024 0.034 {76.N} 107.719 0.346 0.285 {78.H} 7.776 0.134 0.192 417.575 3.202 0 0 3277 {76.H} 7.043 0.037 0.052 {76.N} 107.747 0.976 0.520 {74.H} 6.271 0.058 0.068 130.117 3.276 0 0 3278 {?} 7.759 0.034 0.023 {?} 107.465 0.953 0.678 {?} 5.875 0.105 0.151 258.687 3.897 0 0 3279 {94.H} 7.759 0.017 0.028 {94.N} 107.471 0.978 0.690 {93.HA} 4.883 0.100 0.137 439.956 3.736 0 0 3280 {?} 7.054 0.028 0.016 {?} 107.651 0.958 0.501 {?} 4.675 0.135 0.181 22.466 3.418 0 0 3281 {?} 7.044 0.026 0.025 {?} 107.708 0.743 0.703 {?} 4.459 0.076 0.155 239.577 4.944 0 0 3282 {?} 7.048 0.032 0.082 {?} 107.743 0.741 1.053 {?} 2.313 0.190 0.271 410.072 9.996 0 0 3283 {32.H} 7.960 0.030 0.033 {32.N} 107.191 0.598 0.694 {32.H} 7.961 0.232 0.331 2804.844 6.179 0 0 3284 {32.H} 7.960 0.016 0.019 {32.N} 107.189 0.890 0.350 {33.H} 7.837 0.099 0.033 1459.874 3.082 0 0 3285 {94.H} 7.761 0.040 0.020 {94.N} 107.383 0.743 0.233 {94.H} 7.757 0.065 0.050 4724.324 3.075 0 0 3286 {32.H} 7.959 0.027 0.021 {32.N} 107.204 0.776 0.528 {31.H} 7.623 0.106 0.074 1497.395 3.934 0 0 3287 {94.H} 7.760 0.033 0.056 {94.N} 107.382 0.707 1.016 {92.H} 7.529 0.345 0.493 1767.644 9.655 0 0 3288 {?} 7.959 0.015 0.012 {?} 107.201 0.965 0.392 {?} 7.470 0.134 0.192 318.345 3.204 0 0 3289 {94.H} 7.762 0.047 0.028 {94.N} 107.380 1.079 0.800 {93.H} 7.350 0.049 0.074 3092.766 3.890 0 0 3290 {?} 7.959 0.020 0.006 {?} 107.204 0.763 0.223 {?} 7.331 0.226 0.060 542.069 3.058 0 0 3291 {95.H} 6.559 0.015 0.042 {95.N} 107.134 0.801 1.032 {93.H} 7.334 0.058 0.074 349.301 7.417 0 0 3292 {?} 5.753 0.033 0.067 {?} 107.265 0.704 1.024 {?} 7.307 0.345 0.493 118.507 10.351 0 0 3293 {?} 7.761 0.026 0.024 {?} 107.407 0.567 0.521 {?} 7.188 0.134 0.192 1042.154 4.818 0 0 3294 {?} 7.961 0.037 0.052 {?} 107.174 1.113 0.613 {?} 6.961 0.141 0.201 58.426 3.346 0 0 3295 {?} 7.765 0.028 0.050 {?} 107.382 0.783 1.141 {?} 6.953 0.190 0.271 153.791 10.739 0 0 3296 {?} 7.958 0.058 0.082 {?} 107.319 0.687 0.427 {?} 6.694 0.134 0.192 19.554 3.784 0 0 3297 {?} 5.753 0.037 0.052 {?} 107.176 0.765 0.223 {?} 6.542 0.047 0.049 1902.688 3.044 0 0 3298 {94.H} 7.761 0.033 0.054 {94.N} 107.393 0.785 1.202 {95.H} 6.497 0.045 0.136 1470.038 13.633 0 0 3299 {?} 7.963 0.020 0.012 {?} 107.215 0.951 0.587 {?} 6.293 0.134 0.192 38.559 3.662 0 0 3300 {?} 7.762 0.030 0.038 {?} 107.390 0.730 1.090 {?} 6.130 0.136 0.159 359.011 7.319 0 0 3301 {?} 6.560 0.029 0.050 {?} 107.179 0.665 0.993 {?} 5.749 0.147 0.211 3675.134 11.018 0 0 3302 {?} 7.760 0.022 0.012 {?} 107.351 0.434 0.358 {?} 5.731 0.118 0.058 217.219 3.028 0 0 3303 {?} 7.759 0.024 0.026 {?} 107.435 1.080 0.061 {?} 5.594 0.058 0.012 307.809 2.661 0 0 3304 {?} 6.556 0.037 0.054 {?} 107.173 0.768 1.111 {?} 5.409 0.096 0.137 203.474 10.503 0 0 3305 {?} 7.960 0.038 0.054 {?} 107.347 0.763 1.080 {?} 5.301 0.105 0.151 135.299 10.036 0 0 3306 {?} 7.758 0.032 0.062 {?} 107.341 0.725 1.162 {?} 5.229 0.065 0.178 452.299 13.148 0 0 3307 {?} 7.758 0.021 0.053 {?} 107.378 0.732 0.831 {?} 5.030 0.071 0.079 443.748 6.144 0 0 3308 {?} 7.762 0.024 0.035 {?} 107.401 0.959 0.948 {?} 4.732 0.102 0.101 453.702 5.120 0 0 3309 {?} 6.555 0.043 0.061 {?} 107.219 0.926 1.054 {?} 4.655 0.137 0.195 58.091 6.452 0 0 3310 {?} 5.755 0.028 0.053 {?} 107.166 0.568 0.893 {?} 4.636 0.099 0.142 33.754 8.945 0 0 3311 {?} 7.962 0.030 0.126 {?} 107.193 0.676 1.216 {?} 4.600 0.093 0.271 412.717 22.043 0 0 3312 {?} 7.761 0.037 0.057 {?} 107.378 0.567 1.082 {?} 4.490 0.259 0.303 916.823 11.062 0 0 3313 {32.H} 7.958 0.028 0.057 {32.N} 107.212 0.634 1.187 {31.HA} 4.355 0.071 0.096 786.835 35.308 0 0 3314 {94.H} 7.761 0.036 0.053 {94.N} 107.382 0.784 1.218 {94.HA2} 4.281 0.070 0.091 1445.945 14.207 0 0 3315 {94.H} 7.760 0.036 0.084 {94.N} 107.373 0.738 1.235 {94.HA3} 4.017 0.116 0.211 1218.959 23.206 0 0 3316 {32.H 32.H} 7.960 0.041 0.045 {32.N 32.N} 107.202 0.787 0.856 {32.HA2 32.HA3} 3.993 0.051 0.119 2855.912 5.744 0 0 3317 {?} 5.748 0.030 0.055 {?} 107.179 0.717 1.207 {?} 3.350 0.057 0.104 159.084 14.007 0 0 3318 {?} 6.560 0.034 0.062 {?} 107.155 0.694 1.192 {?} 2.794 0.076 0.109 1069.412 18.421 0 0 3319 {?} 5.753 0.035 0.078 {?} 107.199 0.593 1.245 {?} 2.792 0.076 0.120 519.986 19.102 0 0 3320 {?} 7.758 0.027 0.076 {?} 107.388 0.701 1.580 {?} 2.717 0.072 0.169 651.289 103.731 0 0 3321 {?} 6.560 0.031 0.065 {?} 107.186 0.642 1.297 {?} 2.462 0.146 0.227 923.115 24.253 0 0 3322 {?} 5.755 0.026 0.022 {?} 107.202 1.135 0.968 {?} 2.460 0.062 0.122 563.263 4.397 0 0 3323 {?} 7.761 0.025 0.071 {?} 107.362 0.704 1.583 {?} 2.438 0.070 0.139 273.168 90.616 0 0 3324 {32.H} 7.960 0.023 0.022 {32.N} 107.190 0.890 0.855 {30.HB3} 2.231 0.147 0.211 1889.424 4.978 0 0 3325 {94.H} 7.758 0.038 0.055 {94.N} 107.424 0.688 1.021 {91.HG2} 2.179 0.062 0.100 269.790 10.012 0 0 3326 {?} 7.961 0.029 0.043 {?} 107.196 0.598 0.839 {?} 2.046 0.071 0.211 415.065 7.454 0 0 3327 {?} 7.762 0.031 0.040 {?} 107.391 0.613 0.840 {?} 2.003 0.085 0.114 1393.863 7.604 0 0 3328 {?} 6.561 0.040 0.084 {?} 107.158 0.508 1.161 {?} 1.961 0.080 0.114 574.413 21.010 0 0 3329 {94.H} 7.760 0.037 0.052 {94.N} 107.380 0.767 0.963 {93.HB2} 1.816 0.064 0.084 1013.423 7.026 0 0 3330 {32.H} 7.959 0.027 0.082 {32.N} 107.209 0.520 1.256 {33.HG} 1.742 0.091 0.271 637.477 28.565 0 0 3331 {?} 7.757 0.035 0.041 {?} 107.362 0.724 0.892 {?} 1.531 0.167 0.208 246.219 7.309 0 0 3332 {?} 7.761 0.026 0.042 {?} 107.355 0.492 0.810 {?} 1.254 0.086 0.122 373.741 10.744 0 0 3333 {?} 7.759 0.034 0.043 {?} 107.372 0.526 0.669 {?} 1.150 0.121 0.169 713.036 7.153 0 0 3334 {?} 7.960 0.036 0.067 {?} 107.202 0.520 0.995 {?} 0.911 0.075 0.112 1976.213 14.361 0 0 3335 {?} 7.762 0.032 0.039 {?} 107.380 0.673 1.048 {?} 0.830 0.073 0.091 1297.147 7.246 0 0 3336 {?} 7.761 0.025 0.035 {?} 107.377 0.503 0.687 {?} 0.695 0.096 0.129 2229.252 8.217 0 0 3337 {94.H} 7.762 0.036 0.047 {94.N} 107.391 0.699 0.887 {95.HG21} 0.496 0.101 0.137 536.406 7.358 0 0 3338 {32.H} 7.962 0.031 0.076 {32.N} 107.228 0.497 1.208 {35.HD11} 0.301 0.065 0.211 93.507 34.705 0 0 3339 {95.H} 6.561 0.021 0.055 {95.N} 107.123 0.568 0.679 {95.H} 6.537 0.139 0.166 4365.988 6.479 0 0 3340 {?} 5.782 0.032 0.034 {?} 106.876 0.868 0.915 {?} 5.179 0.165 0.173 1065.061 5.582 0 0 3341 {95.H} 6.563 0.011 0.023 {95.N} 107.022 0.696 0.679 {95.HA} 5.000 0.105 0.151 156.384 5.096 0 0 3342 {?} 5.788 0.014 0.052 {?} 106.907 0.500 0.761 {?} 4.928 0.120 0.178 335.616 9.510 0 0 3343 {?} 6.564 0.044 0.082 {?} 107.083 0.683 1.190 {?} 3.745 0.105 0.211 31.129 13.108 0 0 3344 {?} 6.560 0.028 0.034 {?} 107.080 0.635 0.801 {?} 3.339 0.050 0.090 434.502 6.753 0 0 3345 {?} 6.525 0.043 0.061 {?} 106.924 0.889 1.118 {?} 3.352 0.105 0.151 216.218 7.325 0 0 3346 {?} 6.555 0.033 0.115 {?} 107.027 0.729 1.828 {?} 2.151 0.153 0.331 117.560 58.177 0 0 3347 {?} 5.381 0.030 0.097 {?} 106.835 0.704 1.533 {?} 1.999 0.114 0.331 57.355 53.381 0 0 3348 {128.HD22} 5.782 0.030 0.067 {128.ND2} 106.820 0.575 1.164 {127.HG21} 0.947 0.156 0.271 37.544 17.486 0 0 3349 {?} 5.783 0.035 0.071 {?} 106.699 0.795 1.406 {?} 9.164 0.212 0.303 134.882 19.050 0 0 3350 {41.H} 8.570 0.033 0.097 {41.N} 106.673 0.752 1.516 {43.H} 9.137 0.208 0.297 22.144 26.591 0 0 3351 {?} 8.566 0.026 0.037 {?} 106.742 0.735 1.206 {?} 8.699 0.134 0.192 984.975 20.612 0 0 3352 {128.HD22} 5.782 0.037 0.052 {128.ND2} 106.724 0.626 1.136 {42.H} 8.698 0.105 0.151 118.358 10.772 0 0 3353 {41.H} 8.566 0.043 0.077 {41.N} 106.745 0.763 1.264 {41.H} 8.576 0.100 0.179 5120.787 16.661 0 0 3354 {95.H} 6.514 0.032 0.090 {95.N} 106.723 0.614 1.345 {94.H} 7.753 0.112 0.356 1639.492 36.109 0 0 3355 {95.H} 6.515 0.034 0.069 {95.N} 106.722 0.763 1.281 {96.H} 7.466 0.105 0.151 749.846 20.089 0 0 3356 {?} 6.515 0.029 0.052 {?} 106.749 0.718 1.322 {?} 7.354 0.104 0.211 1169.307 38.670 0 0 3357 {95.H} 6.512 0.040 0.067 {95.N} 106.699 0.554 1.104 {107.HD21} 7.194 0.185 0.356 178.971 15.403 0 0 3358 {?} 8.569 0.035 0.090 {?} 106.803 0.735 1.459 {?} 7.134 0.174 0.248 29.886 33.416 0 0 3359 {?} 5.779 0.035 0.090 {?} 106.635 0.735 1.459 {?} 7.139 0.174 0.248 78.719 33.416 0 0 3360 {128.HD22} 5.784 0.033 0.054 {128.ND2} 106.710 0.531 1.159 {128.H} 6.943 0.108 0.198 388.186 14.723 0 0 3361 {?} 5.375 0.037 0.052 {?} 106.604 0.655 1.091 {?} 6.947 0.085 0.140 2.832 10.201 0 0 3362 {95.H} 6.514 0.032 0.097 {95.N} 106.729 0.776 1.995 {95.H} 6.498 0.190 0.271 6099.084 65.214 0 0 3363 {?} 6.514 0.026 0.037 {?} 106.725 0.786 0.769 {?} 6.274 0.166 0.163 923.386 5.105 0 0 3364 {?} 6.514 0.034 0.157 {?} 106.713 0.706 2.376 {?} 6.053 0.130 0.200 1050.051 113.513 0 0 3365 {?} 6.508 0.035 0.114 {?} 106.695 0.557 1.786 {?} 5.916 0.091 0.271 263.530 70.599 0 0 3366 {?} 5.365 0.025 0.057 {?} 106.725 0.536 1.504 {?} 5.799 0.083 0.271 102.865 60.624 0 0 3367 {41.H} 8.569 0.035 0.131 {41.N} 106.723 0.731 1.763 {128.HD22} 5.784 0.161 0.229 172.623 69.260 0 0 3368 {128.HD22} 5.782 0.033 0.069 {128.ND2} 106.619 0.650 1.249 {128.HD22} 5.784 0.095 0.182 5731.459 21.051 0 0 3369 {?} 6.515 0.027 0.139 {?} 106.697 0.698 1.616 {?} 5.602 0.116 0.271 624.174 135.077 0 0 3370 {?} 5.366 0.035 0.090 {?} 106.634 0.737 1.290 {?} 5.302 0.190 0.271 94.505 23.552 0 0 3371 {?} 8.562 0.033 0.097 {?} 106.737 0.801 1.543 {?} 5.294 0.109 0.211 81.693 27.738 0 0 3372 {?} 5.783 0.023 0.022 {?} 106.747 0.572 0.557 {?} 5.288 0.082 0.081 1034.773 5.084 0 0 3373 {?} 6.509 0.028 0.122 {?} 106.782 0.723 1.651 {?} 5.212 0.147 0.211 355.051 79.547 0 0 3374 {?} 5.779 0.032 0.082 {?} 106.792 0.863 1.855 {?} 5.051 0.191 0.271 546.383 28.086 0 0 3375 {?} 5.788 0.035 0.106 {?} 106.815 0.719 1.502 {?} 4.765 0.074 0.158 81.218 38.744 0 0 3376 {?} 8.567 0.035 0.060 {?} 106.763 0.496 0.930 {?} 4.715 0.074 0.111 93.275 12.764 0 0 3377 {?} 6.512 0.029 0.068 {?} 106.710 0.687 1.336 {?} 4.719 0.081 0.180 770.107 35.977 0 0 3378 {?} 6.514 0.027 0.050 {?} 106.767 0.854 1.355 {?} 4.509 0.071 0.130 594.730 13.874 0 0 3379 {?} 5.784 0.033 0.026 {?} 106.684 0.638 0.465 {?} 4.480 0.089 0.076 267.749 4.100 0 0 3380 {95.H} 6.514 0.034 0.054 {95.N} 106.730 0.524 0.882 {94.HA2} 4.277 0.077 0.126 916.746 10.354 0 0 3381 {41.H} 8.566 0.029 0.064 {41.N} 106.734 0.535 1.032 {41.HA2} 4.242 0.060 0.105 851.927 15.240 0 0 3382 {128.HD22} 5.782 0.032 0.025 {128.ND2} 106.680 0.869 0.723 {42.HA2} 4.251 0.062 0.048 238.808 4.260 0 0 3383 {95.H} 6.514 0.030 0.155 {95.N} 106.716 0.500 1.495 {90.HA} 4.055 0.078 0.112 1260.016 92.618 0 0 3384 {41.H} 8.567 0.046 0.220 {41.N} 106.745 0.788 2.062 {41.HA3} 3.715 0.073 0.166 2435.018 105.445 0 0 3385 {128.HD22} 5.783 0.026 0.030 {128.ND2} 106.732 0.632 0.761 {41.HA3} 3.721 0.072 0.085 480.795 6.469 0 0 3386 {?} 8.566 0.029 0.076 {?} 106.758 0.549 1.112 {?} 3.415 0.061 0.271 254.890 15.236 0 0 3387 {?} 5.784 0.030 0.077 {?} 106.774 0.648 1.364 {?} 3.383 0.077 0.171 146.705 41.440 0 0 3388 {41.H} 8.567 0.026 0.030 {41.N} 106.753 0.642 0.399 {126.HD2} 3.299 0.105 0.151 378.591 3.782 0 0 3389 {128.HD22} 5.782 0.033 0.086 {128.ND2} 106.719 0.559 1.328 {42.HA3} 3.132 0.105 0.151 59.610 32.547 0 0 3390 {?} 8.567 0.031 0.050 {?} 106.747 0.729 1.043 {?} 2.403 0.059 0.096 1752.796 9.682 0 0 3391 {?} 5.786 0.037 0.016 {?} 106.671 0.776 0.242 {?} 2.268 0.104 0.102 360.414 3.084 0 0 3392 {?} 8.569 0.034 0.041 {?} 106.720 0.266 0.752 {?} 2.249 0.087 0.101 283.773 6.739 0 0 3393 {?} 6.515 0.031 0.037 {?} 106.732 0.663 0.937 {?} 2.200 0.063 0.077 483.681 7.524 0 0 3394 {?} 5.782 0.030 0.059 {?} 106.723 0.777 1.162 {?} 2.129 0.144 0.195 750.818 13.198 0 0 3395 {?} 6.514 0.031 0.087 {?} 106.732 0.623 1.371 {?} 2.017 0.105 0.150 2137.195 41.406 0 0 3396 {128.HD22} 5.782 0.037 0.088 {128.ND2} 106.753 0.609 1.209 {128.HB3} 1.985 0.058 0.103 1901.350 16.742 0 0 3397 {?} 8.567 0.036 0.010 {?} 106.739 0.598 0.115 {?} 1.894 0.054 0.010 2605.833 2.883 0 0 3398 {95.H} 6.514 0.034 0.063 {95.N} 106.702 0.571 0.983 {93.HB2} 1.810 0.061 0.100 1232.550 14.043 0 0 3399 {41.H 41.H} 8.568 0.034 0.063 {41.N 41.N} 106.726 0.571 0.983 {126.HG2 126.HG3} 1.717 0.061 0.100 28.539 14.043 0 0 3400 {128.HD22} 5.786 0.028 0.018 {128.ND2} 106.747 0.993 0.680 {126.HG2} 1.737 0.110 0.080 894.764 3.724 0 0 3401 {?} 6.514 0.032 0.194 {?} 106.713 0.655 1.684 {?} 1.437 0.080 0.143 295.481 82.327 0 0 3402 {128.HD22 128.HD22} 5.782 0.037 0.082 {128.ND2 128.ND2} 106.746 0.538 0.769 {139.HB1 139.HB2} 1.356 0.070 0.163 221.068 93.478 0 0 3403 {?} 6.515 0.063 0.131 {?} 106.719 0.570 0.814 {?} 1.167 0.094 0.157 1262.371 222.911 0 0 3404 {?} 5.786 0.063 0.131 {?} 106.735 0.570 0.814 {?} 1.124 0.094 0.157 321.931 222.911 0 0 3405 {95.H 95.H} 6.514 0.063 0.131 {95.N 95.N} 106.718 0.570 0.814 {95.HG11 95.HG12} 0.844 0.094 0.157 2963.546 222.911 0 0 3406 {?} 5.785 0.030 0.025 {?} 106.736 0.886 0.413 {?} 0.786 0.157 0.069 330.622 3.289 0 0 3407 {?} 6.514 0.034 0.074 {?} 106.717 0.564 1.280 {?} 0.693 0.190 0.272 2554.061 27.583 0 0 3408 {95.H 95.H} 6.514 0.031 0.038 {95.N 95.N} 106.719 1.089 1.302 {95.HG21 95.HG22} 0.495 0.147 0.211 2472.344 6.636 0 0 3409 {92.H} 7.527 0.027 0.024 {92.N} 106.235 0.744 0.637 {94.H} 7.753 0.087 0.075 838.338 4.487 0 0 3410 {92.H} 7.527 0.028 0.016 {92.N} 106.233 1.053 0.619 {92.H} 7.530 0.137 0.081 4996.545 3.367 0 0 3411 {92.H 92.H} 7.527 0.030 0.034 {92.N 92.N} 106.233 0.812 0.888 {91.H 93.H} 7.352 0.147 0.211 3883.913 5.679 0 0 3412 {?} 7.526 0.032 0.038 {?} 106.228 0.543 0.667 {?} 7.179 0.105 0.151 979.780 6.755 0 0 3413 {?} 7.528 0.038 0.088 {?} 106.229 0.584 1.139 {?} 6.919 0.105 0.151 616.658 14.420 0 0 3414 {?} 7.529 0.032 0.080 {?} 106.262 0.572 1.162 {?} 6.273 0.147 0.211 78.516 19.344 0 0 3415 {?} 7.524 0.042 0.047 {?} 106.198 0.471 0.508 {?} 6.125 0.105 0.151 76.924 5.662 0 0 3416 {?} 7.527 0.031 0.038 {?} 106.244 0.770 0.893 {?} 5.983 0.147 0.211 84.928 6.372 0 0 3417 {?} 7.527 0.020 0.045 {?} 106.255 0.949 1.008 {?} 5.240 0.151 0.452 61.971 5.560 0 0 3418 {92.H} 7.532 0.014 0.011 {92.N} 106.322 0.785 0.220 {93.HA} 4.884 0.134 0.192 145.939 3.015 0 0 3419 {?} 7.528 0.026 0.037 {?} 106.271 0.951 0.654 {?} 4.569 0.127 0.114 241.135 3.913 0 0 3420 {?} 7.525 0.048 0.035 {?} 106.267 0.802 0.686 {?} 4.452 0.101 0.144 496.264 4.598 0 0 3421 {92.H} 7.528 0.032 0.045 {92.N} 106.242 0.601 0.901 {92.HA} 4.344 0.076 0.102 622.824 8.909 0 0 3422 {92.H} 7.527 0.024 0.026 {92.N} 106.263 0.826 0.888 {91.HA} 4.062 0.076 0.085 424.997 5.702 0 0 3423 {?} 7.528 0.026 0.037 {?} 106.234 0.939 0.295 {?} 3.594 0.073 0.104 2086.039 2.985 0 0 3424 {92.H} 7.528 0.048 0.072 {92.N} 106.243 0.646 0.904 {89.HA} 2.772 0.190 0.271 719.837 7.127 0 0 3425 {92.H} 7.527 0.024 0.003 {92.N} 106.243 1.002 0.156 {91.HG3} 2.401 0.095 0.059 604.402 2.803 0 0 3426 {92.H} 7.527 0.032 0.079 {92.N} 106.236 0.584 1.267 {91.HG2} 2.215 0.090 0.155 2666.477 30.811 0 0 3427 {?} 7.527 0.029 0.011 {?} 106.229 0.486 0.360 {?} 2.083 0.181 0.072 1980.250 2.970 0 0 3428 {?} 7.528 0.048 0.049 {?} 106.192 0.654 0.669 {?} 1.819 0.105 0.151 1312.154 5.338 0 0 3429 {92.H} 7.527 0.062 0.054 {92.N} 106.233 0.654 0.491 {92.HG23} 1.131 0.096 0.137 3798.384 4.174 0 0 3430 {?} 7.529 0.018 0.034 {?} 106.199 0.729 0.535 {?} 0.800 0.190 0.271 1574.556 4.090 0 0 3431 {?} 7.527 0.020 0.005 {?} 106.168 0.938 0.211 {?} 6.508 0.267 0.035 181.903 2.862 0 0 3432 {?} 7.526 0.023 0.013 {?} 106.170 0.559 0.234 {?} 5.562 0.147 0.211 37.505 3.298 0 0 3433 {?} 7.533 0.031 0.049 {?} 106.100 0.643 1.198 {?} 4.692 0.166 0.328 296.418 11.952 0 0 3434 {92.H} 7.527 0.041 0.038 {92.N} 106.172 0.467 0.409 {92.HB} 3.834 0.134 0.192 426.208 4.638 0 0 3435 {42.H} 8.698 0.047 0.045 {42.N} 105.494 0.905 0.850 {43.H} 9.142 0.134 0.192 862.557 4.845 0 0 3436 {42.H} 8.697 0.023 0.015 {42.N} 105.492 0.679 0.397 {42.H} 8.705 0.066 0.069 3400.330 3.683 0 0 3437 {?} 8.697 0.046 0.043 {?} 105.484 0.611 0.536 {?} 8.574 0.147 0.211 1382.071 4.645 0 0 3438 {?} 8.699 0.034 0.118 {?} 105.477 0.553 1.353 {?} 7.467 0.087 0.195 137.764 55.657 0 0 3439 {?} 8.695 0.018 0.035 {?} 105.465 0.874 0.766 {?} 7.117 0.345 0.493 122.251 4.519 0 0 3440 {42.H} 8.698 0.030 0.020 {42.N} 105.481 1.070 0.703 {128.H} 6.944 0.228 0.153 558.365 3.791 0 0 3441 {42.H} 8.698 0.025 0.036 {42.N} 105.482 0.921 0.850 {128.HD22} 5.790 0.174 0.365 512.420 4.741 0 0 3442 {?} 8.696 0.031 0.030 {?} 105.479 0.737 0.694 {?} 5.297 0.190 0.271 260.590 4.945 0 0 3443 {42.H} 8.696 0.017 0.033 {42.N} 105.430 0.587 0.534 {44.HA} 5.169 0.105 0.151 282.039 4.787 0 0 3444 {?} 8.698 0.033 0.074 {?} 105.458 0.687 1.268 {?} 5.066 0.091 0.136 269.271 28.308 0 0 3445 {?} 8.701 0.013 0.024 {?} 105.467 0.796 0.681 {?} 4.906 0.134 0.115 268.131 4.438 0 0 3446 {?} 8.697 0.039 0.039 {?} 105.436 0.794 0.785 {?} 4.713 0.074 0.162 480.476 5.160 0 0 3447 {?} 8.699 0.029 0.027 {?} 105.475 0.492 0.458 {?} 4.376 0.064 0.135 1234.518 4.872 0 0 3448 {42.H} 8.698 0.035 0.060 {42.N} 105.495 0.680 1.117 {42.HA2} 4.263 0.086 0.120 1668.034 11.111 0 0 3449 {?} 8.698 0.022 0.045 {?} 105.486 0.726 0.679 {?} 3.699 0.105 0.151 1851.743 4.874 0 0 3450 {?} 8.696 0.029 0.025 {?} 105.463 0.510 0.437 {?} 3.415 0.121 0.237 372.693 4.561 0 0 3451 {?} 8.698 0.060 0.025 {?} 105.458 0.738 0.293 {?} 3.271 0.105 0.151 944.484 3.261 0 0 3452 {42.H} 8.698 0.040 0.029 {42.N} 105.494 0.841 0.506 {42.HA3} 3.141 0.079 0.130 1380.309 3.670 0 0 3453 {?} 8.699 0.018 0.029 {?} 105.516 0.800 0.606 {?} 2.266 0.105 0.151 5.371 4.216 0 0 3454 {42.H} 8.697 0.033 0.045 {42.N} 105.527 0.713 0.939 {128.HB3} 1.981 0.134 0.192 404.193 7.034 0 0 3455 {?} 8.697 0.031 0.036 {?} 105.510 0.675 0.786 {?} 1.866 0.105 0.151 685.769 5.958 0 0 3456 {?} 8.699 0.019 0.014 {?} 105.465 0.831 0.609 {?} 1.712 0.104 0.148 524.840 4.143 0 0 3457 {?} 8.698 0.031 0.010 {?} 105.482 0.937 0.209 {?} 0.917 0.144 0.117 1430.324 2.938 0 0 3458 {?} 8.698 0.039 0.045 {?} 105.492 0.838 0.972 {?} 0.792 0.144 0.206 1302.813 6.456 0 0 3459 {104.H} 7.807 0.025 0.029 {104.N} 105.161 0.718 0.870 {104.H} 7.804 0.147 0.211 3832.880 6.393 0 0 3460 {104.H 104.H} 7.807 0.017 0.030 {104.N 104.N} 105.167 0.606 0.428 {103.H 105.H} 7.534 0.065 0.118 3889.761 4.031 0 0 3461 {?} 7.807 0.027 0.013 {?} 105.150 0.749 0.287 {?} 7.300 0.147 0.211 763.306 3.213 0 0 3462 {?} 7.805 0.027 0.038 {?} 105.177 0.611 0.806 {?} 7.167 0.105 0.151 419.445 7.147 0 0 3463 {?} 7.806 0.019 0.045 {?} 105.146 0.980 1.078 {?} 7.039 0.211 0.301 727.119 6.052 0 0 3464 {?} 7.808 0.022 0.024 {?} 105.146 0.609 0.660 {?} 6.549 0.106 0.111 682.039 5.686 0 0 3465 {?} 7.805 0.036 0.053 {?} 105.103 0.625 0.944 {?} 6.265 0.147 0.211 282.105 8.329 0 0 3466 {?} 7.809 0.018 0.040 {?} 105.154 0.460 0.445 {?} 6.062 0.105 0.151 538.906 5.050 0 0 3467 {104.H} 7.809 0.037 0.052 {104.N} 105.196 0.687 1.085 {102.H} 5.898 0.105 0.151 406.907 12.659 0 0 3468 {?} 7.807 0.029 0.043 {?} 105.167 0.703 1.047 {?} 5.288 0.152 0.238 266.093 9.197 0 0 3469 {?} 7.806 0.037 0.052 {?} 105.107 0.603 1.205 {?} 5.109 0.037 0.125 262.495 18.832 0 0 3470 {?} 7.804 0.031 0.042 {?} 105.186 0.514 0.646 {?} 4.956 0.067 0.086 277.279 7.024 0 0 3471 {?} 7.805 0.031 0.048 {?} 105.163 0.602 1.074 {?} 4.831 0.053 0.169 214.115 11.457 0 0 3472 {104.H} 7.806 0.019 0.043 {104.N} 105.130 0.857 0.871 {101.HA} 4.698 0.069 0.070 311.688 5.317 0 0 3473 {?} 7.806 0.033 0.046 {?} 105.143 0.466 0.817 {?} 4.534 0.081 0.106 302.525 12.727 0 0 3474 {104.H} 7.808 0.033 0.046 {104.N} 105.150 0.466 0.817 {104.HA2} 4.048 0.081 0.106 1381.956 12.727 0 0 3475 {?} 7.807 0.033 0.063 {?} 105.157 0.697 1.291 {?} 3.730 0.055 0.094 1728.545 16.708 0 0 3476 {?} 7.806 0.035 0.096 {?} 105.179 0.559 1.329 {?} 3.526 0.073 0.134 209.498 48.968 0 0 3477 {104.H} 7.806 0.024 0.040 {104.N} 105.133 0.832 0.548 {103.HB2} 3.285 0.108 0.080 270.936 3.838 0 0 3478 {?} 7.810 0.030 0.064 {?} 105.121 0.662 1.610 {?} 2.703 0.050 0.099 173.475 50.342 0 0 3479 {?} 7.806 0.028 0.045 {?} 105.131 0.510 0.877 {?} 2.544 0.059 0.094 412.167 10.991 0 0 3480 {?} 7.806 0.031 0.054 {?} 105.112 0.590 1.221 {?} 2.222 0.098 0.211 227.658 15.704 0 0 3481 {?} 7.808 0.028 0.054 {?} 105.141 0.702 1.110 {?} 1.947 0.089 0.168 441.760 15.325 0 0 3482 {?} 7.805 0.034 0.071 {?} 105.148 0.525 1.235 {?} 1.795 0.135 0.230 752.388 24.660 0 0 3483 {?} 7.808 0.032 0.094 {?} 105.168 0.590 1.316 {?} 1.448 0.127 0.361 3605.587 38.881 0 0 3484 {?} 7.808 0.031 0.053 {?} 105.127 0.715 1.200 {?} 1.263 0.108 0.246 199.499 14.189 0 0 3485 {?} 7.807 0.028 0.064 {?} 105.151 0.617 1.390 {?} 1.154 0.105 0.162 400.497 31.361 0 0 3486 {?} 7.807 0.058 0.141 {?} 105.165 0.675 1.583 {?} 0.845 0.082 0.218 3507.341 31.224 0 0 3487 {?} 7.808 0.034 0.048 {?} 105.159 0.765 0.645 {?} 0.607 0.091 0.081 3572.351 4.512 0 0 3488 {?} 7.807 0.030 0.066 {?} 105.146 0.731 1.216 {?} 0.234 0.034 0.144 399.051 21.723 0 0 3489 {?} 7.933 0.040 0.083 {?} 102.843 0.606 1.061 {?} 7.806 0.114 0.160 19.923 11.734 0 0 3490 {?} 8.130 0.034 0.067 {?} 102.633 0.543 1.251 {?} 9.471 0.091 0.152 201.840 20.622 0 0 3491 {79.H} 8.127 0.031 0.075 {79.N} 102.697 0.727 1.544 {80.H} 8.649 0.083 0.153 82.220 26.994 0 0 3492 {79.H} 8.131 0.029 0.017 {79.N} 102.642 0.688 0.387 {79.H} 8.136 0.077 0.050 1773.163 3.627 0 0 3493 {79.H} 8.133 0.035 0.066 {79.N} 102.655 0.625 1.126 {78.H} 7.743 0.052 0.083 446.338 11.221 0 0 3494 {?} 8.133 0.027 0.030 {?} 102.622 0.587 0.674 {?} 7.149 0.068 0.079 278.654 6.127 0 0 3495 {?} 8.127 0.050 0.026 {?} 102.704 1.021 0.805 {?} 5.470 0.115 0.081 168.040 3.773 0 0 3496 {?} 8.137 0.028 0.039 {?} 102.666 0.746 1.024 {?} 4.539 0.134 0.192 30.947 9.306 0 0 3497 {79.H} 8.131 0.029 0.048 {79.N} 102.648 0.716 1.128 {79.HA3} 3.409 0.075 0.111 1271.863 10.122 0 0 3498 {?} 8.131 0.035 0.072 {?} 102.661 0.780 1.325 {?} 3.038 0.079 0.164 1136.586 18.017 0 0 3499 {?} 8.124 0.017 0.035 {?} 102.689 0.618 0.581 {?} 2.585 0.080 0.072 100.635 4.919 0 0 3500 {?} 8.128 0.034 0.026 {?} 102.697 0.862 0.617 {?} 2.046 0.147 0.211 139.133 4.023 0 0 3501 {?} 8.131 0.026 0.023 {?} 102.629 0.849 0.752 {?} 1.728 0.147 0.211 225.990 4.518 0 0 3502 {?} 8.131 0.029 0.031 {?} 102.663 0.869 0.940 {?} 1.480 0.083 0.086 612.308 5.700 0 0 3503 {?} 8.136 0.034 0.085 {?} 102.676 0.643 1.319 {?} 0.601 0.166 0.235 250.721 25.511 0 0 3504 {?} 8.131 0.034 0.128 {?} 102.604 0.527 1.329 {?} 0.356 0.094 0.391 192.015 47.012 0 0 3505 {79.H} 8.132 0.069 0.093 {79.N} 102.582 0.521 0.758 {76.HD11} -0.491 0.105 0.151 61.878 8.592 0 0 3506 {35.H 35.H} 7.327 0.037 0.052 {35.N 35.N} 120.966 0.804 1.225 {36.H 37.H} 7.455 0.147 0.211 0.000 13.795 0 0 3507 {36.H 37.H 36.H 37.H} 7.452 0.030 0.104 {36.N 37.N 36.N 37.N} 118.344 0.487 1.184 {35.H 35.H 38.H 38.H} 7.340 0.094 0.135 0.000 30.811 0 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 HN . 'not observed' 6 ppm . . . . . . 52587 1 2 . . N 15 N . 'not observed' 40 ppm . . . . . . 52587 1 3 . . H 1 H . 'not observed' 14 ppm . . . . . . 52587 1 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 3 $software_3 . . 52587 1 4 $software_4 . . 52587 1 stop_ save_ save_spectral_peak_list_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_2 _Spectral_peak_list.Entry_ID 52587 _Spectral_peak_list.ID 2 _Spectral_peak_list.Name 13C-edited-NOESY _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 12 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details 'Peaklist with assignments from CYANA' _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; label dataset sw sf HC 1Hz 13C ProXp-ala_13Ce-NOESY.nv {11160.71387} {11210.76172} {14084.50684} {800.1339722} {800.1339722} {201.201004} HC.L HC.P HC.W HC.B 1Hz.L 1Hz.P 1Hz.W 1Hz.B 13C.L 13C.P 13C.W 13C.B vol int stat flag0 0 {?} 2.049 0.016 0.028 {?} 2.062 0.082 0.158 {?} 76.695 0.276 0.465 69.163 9.351 0 0 1 {?} 2.216 0.016 0.025 {?} 2.221 0.100 0.159 {?} 76.028 1.388 1.975 98.701 5.172 0 0 2 {?} 1.431 0.029 0.030 {?} 1.446 0.134 0.137 {?} 76.363 0.958 0.992 62.034 3.037 0 0 3 {?} 1.748 0.033 0.029 {?} 1.767 0.103 0.089 {?} 75.811 0.511 0.974 48.192 2.583 0 0 4 {?} 1.485 0.031 0.030 {?} 1.497 0.119 0.116 {?} 75.898 0.452 0.973 52.698 2.864 0 0 5 {?} 1.165 0.029 0.022 {?} 1.176 0.141 0.119 {?} 75.756 0.522 0.960 41.399 2.516 0 0 6 {?} 1.083 0.026 0.026 {?} 1.108 0.100 0.099 {?} 75.849 0.467 1.020 56.582 2.904 0 0 7 {?} 1.611 0.024 0.025 {?} 1.619 0.090 0.092 {?} 75.154 2.297 3.281 124.263 3.011 0 0 8 {?} 0.761 0.028 0.021 {?} 0.771 0.072 0.045 {?} 75.159 0.806 0.502 18.641 2.125 0 0 9 {?} 2.216 0.019 0.029 {?} 2.227 0.078 0.118 {?} 74.671 0.590 0.890 46.546 5.942 0 0 10 {?} 1.217 0.039 0.040 {?} 1.235 0.092 0.094 {?} 74.679 1.263 1.805 103.918 2.994 0 0 11 {?} 7.224 0.027 0.017 {?} 7.265 0.090 0.033 {?} 74.062 0.538 0.769 19.641 1.787 0 0 12 {?} 4.155 0.020 0.035 {?} 4.172 0.076 0.157 {?} 74.008 1.054 1.939 181.501 12.619 0 0 13 {?} 3.900 0.022 0.026 {?} 3.916 0.092 0.113 {?} 74.005 1.331 1.513 52.826 3.770 0 0 14 {?} 3.628 0.026 0.037 {?} 3.630 0.101 0.034 {?} 73.962 1.047 0.353 8.914 1.760 0 0 15 {?} 7.192 0.008 0.004 {?} 7.264 0.085 0.014 {?} 73.524 1.214 0.215 3.070 1.599 0 0 16 {?} 4.029 0.019 0.014 {?} 4.735 0.135 0.094 {?} 73.481 1.302 0.905 27.877 2.210 0 0 17 {?} 7.240 0.014 0.011 {?} 2.540 0.086 0.067 {?} 73.411 0.965 0.754 17.623 2.401 0 0 18 {?} 2.192 0.007 0.011 {?} 2.208 0.071 0.047 {?} 73.512 0.696 0.464 5.036 2.196 0 0 19 {?} 1.567 0.009 0.012 {?} 1.559 0.104 0.056 {?} 73.561 0.758 0.406 8.309 1.999 0 0 20 {?} 1.435 0.025 0.021 {?} 1.446 0.130 0.101 {?} 73.497 0.889 1.530 38.643 2.381 0 0 21 {?} 0.763 0.054 0.028 {?} 0.784 0.136 0.066 {?} 73.648 0.878 1.254 50.316 1.945 0 0 22 {?} 4.062 0.049 0.064 {?} 9.211 0.097 0.148 {?} 72.740 0.733 1.058 148.311 5.252 0 0 23 {44.HB} 4.059 0.046 0.028 {46.H} 8.281 0.115 0.070 {44.CB} 72.808 1.196 0.723 39.413 2.097 0 0 24 {?} 4.058 0.037 0.038 {?} 7.586 0.193 0.196 {?} 72.824 1.276 1.320 136.930 3.009 0 0 25 {?} 7.374 0.032 0.030 {?} 7.397 0.087 0.080 {?} 73.208 2.297 3.281 124.608 2.687 0 0 26 {?} 7.034 0.018 0.019 {?} 7.367 0.082 0.086 {?} 72.926 0.985 1.032 36.891 3.075 0 0 27 {44.HB} 4.061 0.044 0.075 {44.HA} 5.200 0.087 0.152 {44.CB} 72.769 0.878 1.537 313.683 6.577 0 0 28 {44.HB} 4.076 0.025 0.017 {45.HA} 4.885 0.088 0.046 {44.CB} 72.984 1.855 1.167 23.698 1.977 0 0 29 {44.HB} 4.062 0.047 0.109 {44.HB} 4.087 0.107 0.223 {44.CB} 72.808 0.896 2.116 524.820 11.862 0 0 30 {?} 6.889 0.019 0.015 {?} 2.481 0.109 0.086 {?} 73.010 1.293 1.075 29.155 2.420 0 0 31 {?} 2.049 0.017 0.026 {?} 2.057 0.097 0.163 {?} 72.942 0.537 0.816 63.863 6.083 0 0 32 {44.HB} 4.057 0.039 0.020 {45.HD2} 1.712 0.157 0.224 {44.CB} 72.906 1.510 0.749 46.972 1.977 0 0 33 {?} 4.060 0.039 0.020 {?} 1.219 0.157 0.224 {?} 72.943 1.510 0.749 26.573 2.074 0 0 34 {?} 0.943 0.030 0.018 {?} 0.954 0.101 0.059 {?} 73.067 0.859 0.505 64.933 5.069 0 0 35 {?} 4.064 0.066 0.082 {?} 0.924 0.108 0.157 {?} 72.729 1.263 1.805 183.091 4.780 0 0 36 {?} 0.802 0.041 0.056 {?} 0.825 0.132 0.214 {?} 72.984 0.734 1.018 68.292 1.493 0 0 37 {44.HB 44.HB 44.HB} 4.062 0.010 0.002 {44.HG21 44.HG22 44.HG23} 0.615 0.099 0.004 {44.CB 44.CB 44.CB} 72.774 0.853 0.034 11.224 11.224 0 0 38 {?} 4.012 0.010 0.002 {?} -0.860 0.099 0.004 {?} 73.097 0.853 0.034 93.584 11.224 0 0 39 {?} 4.185 0.010 0.002 {?} 11.080 0.099 0.004 {?} 72.559 0.853 0.034 1.655 11.224 0 0 40 {?} 4.089 0.046 0.101 {?} 10.749 0.093 0.194 {?} 72.330 0.845 1.810 3.283 1.593 0 0 41 {?} 4.168 0.022 0.004 {?} 10.704 0.125 0.020 {?} 72.314 0.933 0.151 9.438 1.655 0 0 42 {?} 4.174 0.013 0.003 {?} 10.544 0.134 0.032 {?} 72.456 0.729 0.168 1.536 1.762 0 0 43 {?} 4.206 0.013 0.004 {?} 9.236 0.130 0.046 {?} 72.477 1.627 0.526 2.966 1.465 0 0 44 {?} 4.042 0.008 0.000 {?} 7.894 0.000 0.001 {?} 72.381 1.644 0.005 32.388 1.536 0 0 45 {?} 4.156 0.017 0.002 {?} 7.594 0.060 0.012 {?} 72.277 0.809 0.077 13.274 2.966 0 0 46 {?} 4.104 0.042 0.043 {?} 7.579 0.067 0.067 {?} 72.543 1.166 1.182 2.085 1.750 0 0 47 {?} 4.205 0.017 0.006 {?} 7.543 0.058 0.041 {?} 72.388 1.753 0.828 18.186 1.571 0 0 48 {137.HB} 4.203 0.046 0.005 {23.HD2} 6.710 0.165 0.025 {137.CB} 72.444 1.250 0.170 4.262 2.085 0 0 49 {?} 4.062 0.010 0.015 {?} 6.647 0.152 0.094 {?} 72.673 1.457 0.882 19.636 1.482 0 0 50 {?} 4.204 0.016 0.001 {?} 5.387 0.068 0.003 {?} 72.410 1.326 0.035 3.596 2.158 0 0 51 {137.HB} 4.217 0.030 0.023 {21.HA} 4.835 0.106 0.068 {137.CB} 72.405 0.986 0.635 25.426 1.659 0 0 52 {137.HB} 4.207 0.020 0.006 {137.HA} 4.564 0.104 0.035 {137.CB} 72.340 0.743 0.249 69.717 1.816 0 0 53 {137.HB} 4.200 0.015 0.010 {137.HB} 4.214 0.086 0.092 {137.CB} 72.447 1.442 0.621 300.495 2.531 0 0 54 {?} 6.618 0.016 0.031 {?} 2.590 0.151 0.129 {?} 72.490 1.218 1.069 3.998 3.411 0 0 55 {?} 7.030 0.026 0.037 {?} 2.543 0.150 0.177 {?} 72.656 1.031 1.177 12.655 9.098 0 0 56 {137.HB} 4.210 0.050 0.077 {39.HG2} 2.491 0.089 0.204 {137.CB} 72.458 1.267 1.897 29.099 1.566 0 0 57 {?} 2.358 0.035 0.004 {?} 2.375 0.131 0.020 {?} 72.436 1.833 0.226 0.752 1.797 0 0 58 {?} 6.986 0.021 0.027 {?} 2.266 0.128 0.148 {?} 72.659 1.066 1.415 19.043 2.067 0 0 59 {137.HB 137.HB 137.HB} 4.203 0.022 0.010 {39.HE1 39.HE2 39.HE3} 2.180 0.097 0.137 {137.CB 137.CB 137.CB} 72.438 1.147 0.670 18.670 2.539 0 0 60 {?} 4.172 0.018 0.015 {?} 1.991 0.082 0.069 {?} 72.164 0.353 0.299 410.847 1.565 0 0 61 {?} 4.213 0.021 0.005 {?} 1.739 0.147 0.035 {?} 72.493 1.003 0.241 66.780 4.801 0 0 62 {?} 1.617 0.021 0.005 {?} 1.615 0.147 0.035 {?} 72.474 1.003 0.241 51.844 4.801 0 0 63 {44.HB} 4.071 0.021 0.005 {121.HG} 1.572 0.147 0.035 {44.CB} 72.671 1.003 0.241 41.315 4.801 0 0 64 {?} 1.390 0.055 0.085 {?} 1.401 0.227 0.328 {?} 72.341 1.298 1.731 8.740 2.459 0 0 65 {?} 1.255 0.028 0.024 {?} 1.296 0.192 0.274 {?} 72.380 0.891 0.721 6.320 2.950 0 0 66 {?} 4.205 0.026 0.026 {?} 1.176 0.121 0.122 {?} 72.465 1.095 1.104 144.444 2.508 0 0 67 {?} 4.206 0.024 0.021 {?} 0.813 0.116 0.100 {?} 72.424 1.189 1.699 71.310 1.691 0 0 68 {?} 4.173 0.046 0.015 {?} 9.599 0.056 0.043 {?} 72.051 0.981 0.340 112.748 1.722 0 0 69 {?} 4.206 0.039 0.011 {?} 7.948 0.096 0.029 {?} 71.871 0.430 0.285 72.677 1.892 0 0 70 {?} 4.296 0.029 0.025 {?} 7.857 0.077 0.035 {?} 72.012 0.794 1.171 8.123 15.293 0 0 71 {?} 4.151 0.045 0.101 {?} 7.858 0.129 0.185 {?} 71.989 1.232 2.106 8.756 3.924 0 0 72 {?} 4.212 0.031 0.043 {?} 7.673 0.086 0.108 {?} 72.012 1.208 1.478 1.791 4.399 0 0 73 {?} 7.535 0.042 0.061 {?} 7.521 0.123 0.161 {?} 72.050 0.808 1.078 5.558 1.628 0 0 74 {?} 4.154 0.037 0.009 {?} 7.303 0.135 0.030 {?} 72.074 1.443 0.334 4.661 1.882 0 0 75 {?} 4.165 0.019 0.009 {?} 6.991 0.122 0.054 {?} 71.973 0.969 0.431 97.835 1.538 0 0 76 {?} 4.175 0.024 0.003 {?} 6.642 0.141 0.014 {?} 72.040 0.892 0.087 41.553 1.791 0 0 77 {?} 4.169 0.018 0.007 {?} 5.360 0.046 0.037 {?} 71.937 0.950 0.348 15.593 1.493 0 0 78 {137.HB} 4.180 0.026 0.001 {21.HA} 4.842 0.160 0.007 {137.CB} 72.080 1.975 0.065 31.583 2.519 0 0 79 {137.HB} 4.178 0.015 0.028 {137.HA} 4.556 0.100 0.198 {137.CB} 72.150 0.767 0.643 115.925 4.891 0 0 80 {138.HB} 4.159 0.054 0.073 {138.HB} 4.177 0.127 0.226 {138.CB} 71.886 0.934 1.341 330.980 1.826 0 0 81 {?} 4.003 0.019 0.008 {?} 4.019 0.097 0.039 {?} 71.966 1.057 0.420 75.776 2.280 0 0 82 {?} 3.615 0.021 0.016 {?} 3.630 0.082 0.141 {?} 71.983 1.179 0.853 25.094 2.287 0 0 83 {?} 0.898 0.053 0.044 {?} 3.018 0.187 0.155 {?} 71.884 1.014 0.730 16.963 3.725 0 0 84 {?} 6.037 0.037 0.052 {?} 2.235 0.157 0.198 {?} 71.886 1.057 1.331 3.430 8.347 0 0 85 {?} 1.748 0.049 0.073 {?} 1.762 0.105 0.197 {?} 71.880 1.433 2.127 11.678 2.314 0 0 86 {?} 6.121 0.021 0.017 {?} 1.480 0.105 0.077 {?} 71.840 1.283 0.963 7.852 2.492 0 0 87 {137.HB 138.HB 138.HB 138.HB} 4.168 0.033 0.028 {138.HG21 138.HG21 138.HG22 138.HG23} 1.405 0.087 0.072 {137.CB 138.CB 138.CB 138.CB} 71.981 0.954 0.787 18.206 1.516 0 0 88 {?} 0.903 0.018 0.001 {?} 0.898 0.171 0.011 {?} 71.929 1.355 0.100 425.472 1.784 0 0 89 {?} 4.167 0.013 0.018 {?} 0.838 0.103 0.037 {?} 71.881 1.224 0.465 21.199 1.779 0 0 90 {?} 0.844 0.027 0.010 {?} 0.856 0.104 0.037 {?} 71.911 0.525 0.410 44.018 1.511 0 0 91 {?} 0.812 0.025 0.003 {?} 0.588 0.214 0.010 {?} 71.697 1.547 0.118 64.359 9.179 0 0 92 {?} 4.331 0.025 0.003 {?} 10.793 0.214 0.010 {?} 71.436 1.547 0.118 1.978 9.179 0 0 93 {?} 4.381 0.025 0.003 {?} 10.388 0.214 0.010 {?} 71.400 1.547 0.118 18.618 9.179 0 0 94 {?} 3.921 0.025 0.003 {?} 8.777 0.214 0.010 {?} 71.328 1.547 0.118 5.576 9.179 0 0 95 {?} 4.289 0.052 0.085 {?} 5.134 0.102 0.212 {?} 71.333 1.175 2.006 2.119 3.462 0 0 96 {?} 4.293 0.026 0.037 {?} 4.767 0.140 0.158 {?} 71.369 1.148 1.641 29.635 1.980 0 0 97 {?} 3.544 0.020 0.018 {?} 3.575 0.109 0.057 {?} 71.477 0.827 0.431 8.024 5.151 0 0 98 {?} 3.438 0.028 0.052 {?} 3.446 0.091 0.137 {?} 71.305 0.980 1.641 27.953 1.555 0 0 99 {?} 1.973 0.017 0.002 {?} 1.968 0.145 0.018 {?} 71.308 1.020 0.137 12.359 1.978 0 0 100 {?} 1.435 0.025 0.017 {?} 1.461 0.111 0.058 {?} 71.341 1.014 0.528 7.368 1.821 0 0 101 {?} 1.009 0.038 0.012 {?} 1.034 0.158 0.051 {?} 71.327 1.233 0.489 10.836 1.473 0 0 102 {?} 0.763 0.022 0.000 {?} 0.752 0.162 0.002 {?} 71.444 1.106 0.015 27.949 2.119 0 0 103 {?} 0.923 0.025 0.019 {?} 11.300 0.156 0.099 {?} 70.687 1.532 1.014 2.800 1.620 0 0 104 {?} 4.114 0.014 0.003 {?} 11.215 0.142 0.028 {?} 70.712 0.528 0.224 5.570 2.377 0 0 105 {?} 6.210 0.014 0.021 {?} 10.068 0.088 0.068 {?} 70.800 0.902 0.693 1.515 2.015 0 0 106 {?} 3.870 0.025 0.018 {?} 9.361 0.064 0.036 {?} 70.870 1.176 0.648 3.798 1.769 0 0 108 {?} 4.236 0.023 0.009 {?} 7.712 0.097 0.033 {?} 70.757 0.542 0.187 3.083 1.588 0 0 109 {?} 7.429 0.025 0.006 {?} 7.419 0.087 0.014 {?} 70.549 0.852 0.133 2.168 2.823 0 0 110 {?} 3.868 0.045 0.044 {?} 7.202 0.099 0.095 {?} 70.574 0.638 0.615 39.034 1.645 0 0 111 {20.HB} 3.869 0.028 0.006 {20.HA} 5.446 0.128 0.028 {20.CB} 70.765 0.366 0.178 29.527 1.543 0 0 112 {20.HB} 3.873 0.017 0.002 {21.HA} 4.853 0.132 0.015 {20.CB} 70.705 1.067 0.110 36.910 1.450 0 0 113 {?} 4.280 0.017 0.001 {?} 4.621 0.046 0.004 {?} 70.744 0.931 0.033 15.212 1.515 0 0 114 {?} 1.209 0.021 0.002 {?} 4.281 0.128 0.009 {?} 70.847 1.268 0.098 3.677 1.922 0 0 115 {20.HB 92.HB} 3.866 0.030 0.002 {20.HB 92.HB} 3.878 0.213 0.008 {20.CB 92.CB} 70.631 0.946 0.051 164.047 1.524 0 0 116 {?} 3.507 0.020 0.003 {?} 3.528 0.115 0.014 {?} 70.835 1.115 0.141 80.248 2.168 0 0 117 {?} 4.036 0.027 0.021 {?} 3.321 0.174 0.123 {?} 70.676 0.877 1.144 97.221 2.014 0 0 118 {?} 2.217 0.035 0.020 {?} 2.224 0.088 0.109 {?} 70.826 0.483 0.581 12.269 2.472 0 0 119 {?} 1.570 0.042 0.032 {?} 1.561 0.134 0.114 {?} 70.979 1.144 0.936 5.272 2.429 0 0 120 {20.HB 20.HB 20.HB} 3.868 0.036 0.032 {20.HG21 20.HG22 20.HG23} 1.217 0.074 0.059 {20.CB 20.CB 20.CB} 70.631 0.815 0.647 426.552 1.670 0 0 121 {?} 1.224 0.019 0.004 {?} 1.245 0.104 0.026 {?} 70.819 1.195 0.295 13.783 3.677 0 0 122 {?} 1.168 0.016 0.018 {?} 1.179 0.081 0.097 {?} 70.527 0.938 1.130 146.752 15.745 0 0 123 {?} 1.077 0.016 0.018 {?} 1.077 0.081 0.097 {?} 70.797 0.938 1.130 16.804 15.745 0 0 124 {?} 3.860 0.048 0.129 {?} 7.591 0.085 0.208 {?} 70.289 0.660 1.197 32.036 1.712 0 0 125 {?} 3.856 0.048 0.129 {?} 7.402 0.085 0.208 {?} 70.364 0.660 1.197 13.824 1.613 0 0 126 {?} 4.051 0.023 0.008 {?} 6.336 0.086 0.025 {?} 70.113 1.767 0.575 56.448 5.248 0 0 127 {?} 4.517 0.027 0.007 {?} 4.524 0.145 0.026 {?} 70.213 0.952 0.176 231.066 1.614 0 0 128 {92.HB} 3.859 0.018 0.027 {92.HA} 4.324 0.087 0.131 {92.CB} 70.335 0.625 0.902 71.692 17.505 0 0 129 {?} 1.164 0.018 0.027 {?} 3.865 0.087 0.131 {?} 70.330 0.625 0.902 40.167 17.505 0 0 130 {?} 3.864 0.018 0.027 {?} 3.655 0.087 0.131 {?} 70.416 0.625 0.902 147.812 17.505 0 0 131 {92.HB} 3.856 0.028 0.013 {108.HB2} 2.864 0.131 0.025 {92.CB} 70.391 0.263 0.108 8.428 2.966 0 0 132 {92.HB} 3.868 0.055 0.128 {110.HG3} 2.314 0.126 0.180 {92.CB} 70.389 1.037 2.189 52.004 2.737 0 0 133 {?} 3.861 0.025 0.025 {?} 2.092 0.084 0.085 {?} 70.265 1.059 1.073 69.276 1.806 0 0 134 {20.HB 92.HB} 3.857 0.019 0.017 {19.HB3 93.HB2} 1.828 0.106 0.098 {20.CB 92.CB} 70.389 0.309 0.633 47.182 3.120 0 0 135 {?} 3.858 0.020 0.007 {?} 0.851 0.094 0.036 {?} 70.329 0.758 0.288 389.669 3.849 0 0 136 {?} 0.046 0.045 0.047 {?} 0.057 0.113 0.120 {?} 70.141 1.222 1.305 199.200 1.654 0 0 137 {?} 7.376 0.040 0.048 {?} 7.393 0.112 0.180 {?} 69.570 1.080 1.431 448.226 21.316 0 0 138 {?} 4.328 0.037 0.017 {?} 4.341 0.095 0.022 {?} 69.783 0.580 0.298 549.594 7.345 0 0 139 {?} 1.258 0.014 0.033 {?} 4.308 0.080 0.187 {?} 69.874 0.986 1.669 50.360 1.637 0 0 140 {?} 4.190 0.049 0.072 {?} 4.195 0.079 0.137 {?} 69.757 0.973 1.730 1288.862 3.512 0 0 141 {?} 4.195 0.025 0.008 {?} 3.517 0.106 0.022 {?} 69.627 1.100 0.233 22.439 2.317 0 0 142 {?} 4.066 0.039 0.044 {?} 3.255 0.117 0.143 {?} 69.551 0.815 0.951 113.219 1.969 0 0 143 {?} 2.357 0.031 0.024 {?} 2.364 0.169 0.138 {?} 69.819 0.921 0.696 5.052 2.739 0 0 144 {?} 1.257 0.034 0.017 {?} 1.281 0.150 0.066 {?} 69.627 0.831 0.427 1.521 2.563 0 0 145 {?} 4.109 0.034 0.017 {?} 9.174 0.150 0.066 {?} 69.121 0.831 0.427 7.202 2.563 0 0 146 {?} 4.100 0.046 0.043 {?} 9.007 0.075 0.150 {?} 69.061 1.232 1.152 3.897 13.231 0 0 147 {?} 4.089 0.035 0.032 {?} 8.758 0.306 0.438 {?} 69.398 1.179 1.011 20.088 18.004 0 0 148 {?} 7.264 0.051 0.111 {?} 7.847 0.145 0.207 {?} 68.887 1.036 2.042 16.397 4.744 0 0 149 {?} 4.111 0.016 0.029 {?} 7.738 0.073 0.171 {?} 68.890 0.818 1.810 33.834 29.681 0 0 150 {?} 7.823 0.031 0.046 {?} 7.515 0.097 0.147 {?} 69.054 2.297 3.281 1.497 4.107 0 0 151 {?} 4.109 0.043 0.122 {?} 4.859 0.088 0.193 {?} 68.911 1.124 1.606 72.342 22.224 0 0 152 {65.HB 66.HB} 4.099 0.021 0.025 {65.HB 66.HB} 4.116 0.087 0.111 {65.CB 66.CB} 68.890 0.704 0.906 39.665 1.740 0 0 153 {?} 4.109 0.032 0.060 {?} 3.518 0.078 0.179 {?} 69.010 1.132 2.135 42.243 1.611 0 0 154 {?} 4.132 0.018 0.006 {?} 3.257 0.081 0.026 {?} 69.317 0.887 0.282 249.072 2.013 0 0 155 {65.HB} 4.110 0.018 0.003 {45.HE3} 3.253 0.140 0.026 {65.CB} 69.071 1.234 0.224 12.589 1.521 0 0 156 {?} 4.122 0.019 0.010 {?} 2.920 0.079 0.043 {?} 69.013 0.428 0.234 23.654 2.091 0 0 157 {65.HB} 4.112 0.013 0.008 {45.HE2} 2.775 0.111 0.009 {65.CB} 69.203 0.628 0.047 40.505 2.001 0 0 158 {?} 1.104 0.031 0.022 {?} 2.547 0.100 0.060 {?} 69.009 1.377 0.838 10.193 1.535 0 0 159 {?} 2.049 0.012 0.014 {?} 2.063 0.110 0.059 {?} 69.130 1.024 0.550 9.887 1.669 0 0 160 {65.HB} 4.114 0.044 0.012 {62.HG} 1.614 0.123 0.017 {65.CB} 68.942 0.578 0.182 6.184 5.875 0 0 161 {?} 4.099 0.022 0.005 {?} 1.183 0.114 0.028 {?} 68.886 1.086 0.268 555.184 1.497 0 0 162 {?} 0.972 0.049 0.068 {?} 0.972 0.103 0.157 {?} 69.238 0.850 1.393 61.790 3.663 0 0 163 {?} 4.112 0.026 0.002 {?} 0.573 0.170 0.007 {?} 69.105 0.773 0.034 255.338 39.665 0 0 164 {?} 4.335 0.026 0.002 {?} 11.254 0.170 0.007 {?} 68.636 0.773 0.034 25.929 39.665 0 0 165 {?} 4.185 0.028 0.032 {?} 11.242 0.063 0.076 {?} 68.651 0.694 0.834 28.841 1.707 0 0 166 {?} 4.129 0.045 0.104 {?} 9.123 0.091 0.215 {?} 68.552 0.789 2.370 4.209 2.170 0 0 167 {?} 4.273 0.025 0.007 {?} 8.303 0.103 0.125 {?} 68.477 0.946 0.270 46.018 2.422 0 0 168 {?} 4.548 0.011 0.019 {?} 5.272 0.148 0.109 {?} 68.669 1.099 0.716 16.668 1.754 0 0 169 {?} 4.281 0.019 0.030 {?} 4.847 0.206 0.175 {?} 68.497 0.721 1.030 2.612 1.618 0 0 170 {?} 3.838 0.014 0.005 {?} 4.523 0.134 0.046 {?} 68.683 1.176 0.390 17.759 1.585 0 0 171 {?} 4.275 0.031 0.012 {?} 4.289 0.095 0.018 {?} 68.567 1.225 0.236 2179.050 4.240 0 0 172 {?} 1.291 0.051 0.008 {?} 4.287 0.091 0.014 {?} 68.494 1.221 0.187 63.688 3.113 0 0 173 {?} 1.168 0.016 0.021 {?} 4.111 0.076 0.100 {?} 68.758 0.471 0.617 12.773 36.920 0 0 174 {96.HB} 4.500 0.041 0.043 {97.HD3} 4.027 0.120 0.127 {96.CB} 68.564 0.752 0.797 34.941 2.974 0 0 175 {?} 4.273 0.047 0.102 {?} 3.925 0.093 0.276 {?} 68.506 0.793 2.108 459.235 2.055 0 0 176 {?} 1.291 0.013 0.030 {?} 3.917 0.107 0.109 {?} 68.480 0.432 0.965 20.750 1.609 0 0 177 {?} 3.838 0.036 0.021 {?} 3.852 0.086 0.151 {?} 68.752 1.371 0.792 170.889 1.681 0 0 178 {96.HB} 4.502 0.010 0.003 {97.HD2} 3.694 0.093 0.017 {96.CB} 68.541 1.644 0.331 51.230 2.129 0 0 179 {?} 4.277 0.023 0.006 {?} 3.072 0.145 0.042 {?} 68.735 1.464 0.414 55.795 7.566 0 0 180 {96.HB} 4.501 0.025 0.017 {97.HB3} 2.459 0.237 0.176 {96.CB} 68.557 1.432 0.869 81.817 1.804 0 0 181 {?} 4.274 0.036 0.055 {?} 2.281 0.087 0.153 {?} 68.545 0.876 1.585 35.702 2.944 0 0 182 {96.HB} 4.499 0.022 0.011 {97.HG3} 2.214 0.126 0.049 {96.CB} 68.577 1.050 0.396 76.798 2.461 0 0 183 {96.HB} 4.497 0.025 0.025 {97.HB2} 1.973 0.060 0.060 {96.CB} 68.566 0.897 0.902 106.198 118.647 0 0 184 {?} 4.116 0.020 0.017 {?} 1.763 0.070 0.057 {?} 68.737 1.008 0.817 76.228 8.941 0 0 185 {?} 1.291 0.036 0.099 {?} 1.312 0.101 0.214 {?} 68.531 1.393 1.991 66.166 3.386 0 0 186 {?} 4.274 0.014 0.024 {?} 1.306 0.101 0.187 {?} 68.520 0.858 1.604 584.239 3.090 0 0 187 {96.HB 96.HB 96.HB} 4.498 0.014 0.016 {96.HG21 96.HG22 96.HG23} 1.219 0.106 0.120 {96.CB 96.CB 96.CB} 68.515 0.795 0.903 142.901 36.462 0 0 188 {?} 1.201 0.030 0.031 {?} 1.224 0.048 0.050 {?} 68.576 1.036 1.090 165.243 3.115 0 0 189 {?} 1.167 0.035 0.092 {?} 1.179 0.092 0.214 {?} 68.802 0.994 2.078 81.142 17.327 0 0 190 {65.HB 65.HB 65.HB 66.HB 66.HB 66.HB} 4.109 0.013 0.014 {62.HD11 62.HD12 62.HD13 66.HG21 66.HG22 66.HG23} 0.991 0.102 0.109 {65.CB 65.CB 65.CB 66.CB 66.CB 66.CB} 68.875 0.818 0.867 275.266 4.382 0 0 191 {?} 1.011 0.022 0.039 {?} 1.035 0.095 0.184 {?} 68.679 0.594 1.087 24.290 1.754 0 0 192 {?} 4.499 0.042 0.055 {?} 0.733 0.120 0.158 {?} 68.372 0.964 1.294 76.128 2.306 0 0 193 {65.HB} 4.106 0.029 0.015 {67.HD12} 0.114 0.098 0.141 {65.CB} 68.779 1.157 0.384 30.247 4.372 0 0 194 {?} 0.903 0.044 0.036 {?} 0.895 0.093 0.070 {?} 68.019 1.150 0.867 7.500 2.851 0 0 195 {?} 0.845 0.032 0.040 {?} 0.855 0.166 0.201 {?} 68.076 0.917 1.229 20.571 3.641 0 0 196 {?} 0.950 0.034 0.033 {?} -0.629 0.187 0.184 {?} 68.175 1.230 1.199 26.221 1.995 0 0 197 {?} 0.987 0.042 0.050 {?} -0.680 0.109 0.177 {?} 68.072 1.050 1.243 29.662 5.850 0 0 198 {?} 8.005 0.026 0.014 {?} 7.862 0.065 0.067 {?} 67.433 1.511 0.757 20.787 50.763 0 0 199 {?} 7.857 0.018 0.025 {?} 7.865 0.078 0.117 {?} 67.343 1.206 1.794 98.912 11.166 0 0 200 {?} 7.537 0.018 0.025 {?} 7.542 0.078 0.117 {?} 67.601 1.206 1.794 192.055 11.166 0 0 201 {?} 4.006 0.018 0.025 {?} 4.942 0.078 0.117 {?} 67.519 1.206 1.794 44.221 11.166 0 0 202 {?} 4.010 0.040 0.096 {?} 4.026 0.071 0.179 {?} 67.687 1.199 2.130 75.264 2.713 0 0 203 {?} 3.741 0.038 0.061 {?} 3.753 0.065 0.113 {?} 67.616 0.952 1.798 85.499 4.087 0 0 204 {?} 3.742 0.018 0.016 {?} 3.583 0.095 0.087 {?} 67.621 0.997 2.021 167.542 13.114 0 0 205 {?} 3.574 0.018 0.016 {?} 3.584 0.095 0.087 {?} 67.637 0.997 2.021 1235.320 13.114 0 0 206 {?} 1.435 0.018 0.016 {?} 1.451 0.095 0.087 {?} 67.609 0.997 2.021 45.348 13.114 0 0 207 {?} 7.421 0.018 0.016 {?} 7.424 0.095 0.087 {?} 67.208 0.997 2.021 488.100 13.114 0 0 208 {?} 7.329 0.018 0.016 {?} 7.347 0.095 0.087 {?} 67.177 0.997 2.021 17.045 13.114 0 0 209 {?} 2.216 0.018 0.016 {?} 2.234 0.095 0.087 {?} 67.008 0.997 2.021 13.597 13.114 0 0 210 {?} 7.338 0.013 0.017 {?} 2.088 0.098 0.128 {?} 66.893 0.497 1.469 34.732 1.765 0 0 211 {?} 1.746 0.053 0.103 {?} 1.769 0.079 0.181 {?} 66.845 0.843 1.835 6.718 1.720 0 0 212 {?} 7.339 0.031 0.015 {?} 0.793 0.071 0.029 {?} 66.934 0.489 0.202 2.211 2.915 0 0 213 {?} 3.386 0.044 0.020 {?} 8.070 0.113 0.034 {?} 65.826 0.466 0.306 7.073 2.220 0 0 214 {?} 3.956 0.038 0.038 {?} 8.040 0.094 0.094 {?} 65.894 0.827 0.824 60.166 3.348 0 0 215 {?} 3.794 0.032 0.029 {?} 8.037 0.103 0.070 {?} 65.887 0.855 0.583 83.580 1.530 0 0 216 {?} 7.070 0.018 0.021 {?} 7.084 0.077 0.087 {?} 65.773 0.703 0.791 40.699 1.722 0 0 217 {?} 3.386 0.037 0.052 {?} 6.118 0.133 0.011 {?} 65.839 1.461 0.122 280.946 4.298 0 0 218 {?} 3.955 0.042 0.018 {?} 4.607 0.137 0.041 {?} 65.906 1.401 0.455 170.208 15.121 0 0 219 {?} 3.794 0.031 0.038 {?} 4.606 0.089 0.118 {?} 65.894 0.602 0.794 211.037 8.566 0 0 220 {?} 3.793 0.033 0.114 {?} 4.337 0.087 0.205 {?} 65.888 0.210 0.379 81.868 1.526 0 0 221 {?} 4.063 0.041 0.094 {?} 4.072 0.130 0.234 {?} 65.726 1.607 2.224 110.626 2.580 0 0 222 {?} 4.027 0.026 0.002 {?} 4.038 0.144 0.013 {?} 65.635 0.758 0.180 34.357 43.348 0 0 223 {82.HB2} 3.954 0.045 0.034 {82.HB2} 3.966 0.090 0.077 {82.CB} 65.837 0.604 0.523 1264.662 19.866 0 0 224 {82.HB3} 3.793 0.036 0.077 {82.HB2} 3.967 0.100 0.223 {82.CB} 65.865 0.868 2.044 934.168 53.936 0 0 225 {82.HB2} 3.954 0.022 0.038 {82.HB3} 3.805 0.082 0.171 {82.CB} 65.876 0.982 2.089 1937.577 1.626 0 0 226 {82.HB3} 3.794 0.037 0.071 {82.HB3} 3.806 0.094 0.215 {82.CB} 65.849 0.845 2.100 4923.831 5.548 0 0 227 {100.HA} 3.386 0.018 0.012 {100.HA} 3.404 0.121 0.025 {100.CA} 65.837 0.372 0.164 576.960 4.554 0 0 228 {?} 3.955 0.026 0.037 {?} 3.044 0.142 0.227 {?} 65.804 0.964 3.017 87.045 2.836 0 0 229 {?} 3.798 0.026 0.037 {?} 3.036 0.130 0.187 {?} 65.848 0.855 1.160 162.030 1.545 0 0 230 {100.HA} 3.387 0.014 0.013 {100.HB} 2.209 0.060 0.058 {100.CA} 65.887 0.407 0.394 69.891 1.627 0 0 231 {?} 3.958 0.034 0.005 {?} 1.709 0.147 0.016 {?} 65.863 0.989 0.104 55.188 2.211 0 0 232 {?} 3.792 0.019 0.004 {?} 1.704 0.091 0.018 {?} 65.816 0.806 0.162 51.404 3.550 0 0 233 {?} 3.948 0.025 0.019 {?} 1.511 0.113 0.077 {?} 65.777 1.304 0.889 58.920 4.470 0 0 234 {100.HA} 3.388 0.027 0.033 {89.HB3} 1.493 0.105 0.125 {100.CA} 65.869 1.050 1.240 70.957 4.267 0 0 235 {?} 3.387 0.030 0.039 {?} 1.222 0.086 0.118 {?} 65.861 1.116 1.515 221.063 1.926 0 0 236 {?} 3.386 0.030 0.041 {?} 0.896 0.090 0.119 {?} 65.851 1.067 1.426 684.816 10.716 0 0 237 {?} 3.957 0.013 0.022 {?} 0.682 0.131 0.065 {?} 65.812 0.711 0.748 149.693 12.109 0 0 238 {100.HA 100.HA 100.HA} 3.384 0.045 0.101 {95.HG21 95.HG22 95.HG23} 0.537 0.081 0.176 {100.CA 100.CA 100.CA} 65.852 1.118 1.950 441.586 9.036 0 0 239 {82.HB3} 3.794 0.033 0.071 {49.HD21} 0.448 0.089 0.206 {82.CB} 65.862 1.030 1.849 50.125 1.911 0 0 240 {?} 3.955 0.034 0.058 {?} 0.427 0.090 0.193 {?} 65.903 1.043 1.850 88.940 3.719 0 0 241 {?} 3.841 0.028 0.017 {?} 9.692 0.178 0.142 {?} 65.451 1.080 0.508 31.471 4.097 0 0 242 {?} 3.910 0.012 0.033 {?} 8.900 0.083 0.100 {?} 65.203 0.710 0.861 65.784 60.560 0 0 243 {?} 3.912 0.029 0.041 {?} 8.299 0.064 0.082 {?} 65.321 0.578 0.743 140.317 45.600 0 0 244 {?} 3.910 0.047 0.067 {?} 7.959 0.123 0.239 {?} 65.283 1.173 2.020 99.733 52.234 0 0 245 {?} 4.112 0.033 0.103 {?} 7.523 0.119 0.170 {?} 65.127 1.082 2.095 411.283 52.821 0 0 246 {60.HB3} 3.921 0.033 0.090 {46.HD21} 7.537 0.048 0.232 {60.CB} 65.237 1.073 2.075 73.814 15.542 0 0 247 {?} 3.926 0.047 0.067 {?} 7.080 0.105 0.236 {?} 65.127 1.110 1.904 156.160 2.204 0 0 248 {60.HB2} 4.102 0.044 0.108 {61.HA} 5.227 0.095 0.233 {60.CB} 65.129 1.095 2.027 87.551 2.109 0 0 249 {?} 3.912 0.013 0.021 {?} 5.171 0.104 0.070 {?} 65.257 0.945 0.635 92.022 5.586 0 0 250 {?} 4.114 0.045 0.032 {?} 5.017 0.128 0.078 {?} 65.160 1.266 0.788 139.457 2.425 0 0 251 {?} 4.148 0.037 0.067 {?} 4.843 0.136 0.201 {?} 65.475 1.139 1.643 165.742 2.389 0 0 252 {?} 3.911 0.033 0.028 {?} 4.287 0.088 0.141 {?} 65.310 1.049 0.832 532.244 2.065 0 0 253 {97.HA 124.HB3} 4.157 0.026 0.021 {97.HA 124.HB3} 4.171 0.050 0.086 {97.CA 124.CB} 65.347 0.805 0.624 194.048 5.902 0 0 254 {60.HB2 97.HA 124.HB3} 4.116 0.026 0.019 {60.HB2 97.HA 124.HB3} 4.137 0.090 0.128 {60.CB 97.CA 124.CB} 65.068 1.156 0.674 944.559 14.271 0 0 255 {?} 3.912 0.050 0.076 {?} 3.031 0.099 0.169 {?} 65.309 1.154 1.665 238.805 20.620 0 0 256 {29.HA} 3.911 0.044 0.105 {30.HG2} 2.312 0.100 0.203 {29.CA} 65.232 1.195 2.069 43.974 2.435 0 0 257 {97.HA} 4.159 0.044 0.124 {97.HG3} 2.250 0.128 0.211 {97.CA} 65.379 1.134 2.049 303.858 13.480 0 0 258 {29.HA} 3.842 0.044 0.124 {29.HB} 2.134 0.128 0.211 {29.CA} 65.332 1.134 2.049 759.608 13.480 0 0 259 {97.HA} 4.161 0.044 0.124 {97.HB2} 1.982 0.128 0.211 {97.CA} 65.396 1.134 2.049 274.762 13.480 0 0 260 {?} 3.914 0.030 0.024 {?} 1.822 0.168 0.142 {?} 65.252 0.978 0.780 64.836 2.445 0 0 261 {60.HB2} 4.123 0.046 0.106 {121.HG} 1.573 0.087 0.188 {60.CB} 65.111 1.190 2.013 127.823 2.075 0 0 262 {?} 3.911 0.027 0.023 {?} 1.302 0.092 0.180 {?} 65.300 1.097 0.868 1176.850 2.539 0 0 263 {?} 4.161 0.032 0.023 {?} 1.221 0.070 0.041 {?} 65.360 1.143 0.682 90.684 4.855 0 0 264 {29.HA 29.HA 29.HA} 3.842 0.026 0.023 {29.HG21 29.HG22 29.HG23} 1.056 0.065 0.055 {29.CA 29.CA 29.CA} 65.400 0.921 0.781 1001.121 11.927 0 0 265 {?} 3.920 0.039 0.066 {?} 0.913 0.104 0.152 {?} 65.060 1.017 1.468 931.809 4.590 0 0 266 {?} 0.846 0.029 0.082 {?} 0.846 0.094 0.189 {?} 65.477 1.137 1.933 104.156 7.492 0 0 267 {?} 4.098 0.025 0.038 {?} 0.561 0.124 0.163 {?} 65.194 1.184 1.615 44.274 2.055 0 0 268 {?} 3.922 0.058 0.091 {?} 0.516 0.146 0.214 {?} 65.147 0.955 1.962 195.870 2.561 0 0 269 {?} 4.149 0.048 0.031 {?} -0.239 0.166 0.087 {?} 65.432 0.934 0.538 18.105 4.108 0 0 270 {124.HB3} 4.097 0.038 0.033 {142.H} 9.179 0.113 0.096 {124.CB} 64.950 0.817 0.700 26.617 4.283 0 0 271 {?} 4.098 0.048 0.059 {?} 7.095 0.136 0.175 {?} 65.017 0.963 1.270 99.447 3.145 0 0 272 {60.HB2} 4.106 0.031 0.043 {60.HA} 5.476 0.165 0.197 {60.CB} 64.871 1.011 1.415 5.137 2.364 0 0 273 {60.HB3} 3.915 0.035 0.038 {60.HA} 5.487 0.115 0.124 {60.CB} 64.937 1.013 1.083 27.760 27.600 0 0 274 {?} 3.707 0.028 0.022 {?} 5.010 0.079 0.143 {?} 64.832 1.316 1.004 60.846 12.289 0 0 275 {97.HA 124.HB3} 4.119 0.028 0.022 {96.HA 124.HA} 4.682 0.079 0.143 {97.CA 124.CB} 65.001 1.316 1.004 79.354 12.289 0 0 276 {124.HB2} 3.703 0.030 0.118 {124.HA} 4.677 0.111 0.159 {124.CB} 64.861 1.143 2.073 55.026 10.979 0 0 277 {141.HB2} 4.345 0.030 0.118 {141.HA} 4.634 0.111 0.159 {141.CB} 64.671 1.143 2.073 87.436 10.979 0 0 278 {124.HB2} 3.701 0.030 0.118 {124.HB3} 4.141 0.111 0.159 {124.CB} 64.940 1.143 2.073 333.610 10.979 0 0 279 {97.HA 124.HB3} 4.118 0.047 0.087 {97.HD2 124.HB2} 3.711 0.092 0.198 {97.CA 124.CB} 65.014 1.094 1.600 31.838 6.090 0 0 280 {?} 1.305 0.047 0.067 {?} 1.398 0.136 0.219 {?} 64.878 0.782 1.586 20.411 2.499 0 0 281 {60.HB2 60.HB2} 4.115 0.047 0.067 {121.HD12 121.HD13} 0.855 0.136 0.219 {60.CB 60.CB} 65.010 0.782 1.586 634.793 6.557 0 0 282 {?} 3.722 0.036 0.061 {?} 7.909 0.130 0.194 {?} 63.971 1.177 1.770 119.584 20.075 0 0 283 {?} 3.764 0.025 0.022 {?} 7.524 0.107 0.088 {?} 64.050 0.879 0.729 3.509 20.402 0 0 284 {?} 3.716 0.042 0.066 {?} 7.520 0.108 0.181 {?} 63.995 1.058 1.750 572.260 2.393 0 0 285 {?} 3.838 0.026 0.069 {?} 7.427 0.081 0.229 {?} 64.300 1.490 2.228 382.567 3.050 0 0 286 {?} 3.839 0.043 0.090 {?} 7.101 0.100 0.221 {?} 64.277 1.190 2.088 193.916 42.002 0 0 287 {?} 3.863 0.026 0.022 {?} 6.104 0.055 0.093 {?} 64.079 0.868 0.674 18.517 7.933 0 0 288 {?} 3.856 0.027 0.028 {?} 5.831 0.136 0.140 {?} 64.110 0.983 1.022 24.191 41.605 0 0 289 {?} 3.775 0.027 0.028 {?} 4.830 0.136 0.140 {?} 64.076 0.983 1.022 235.154 41.605 0 0 290 {?} 3.776 0.027 0.028 {?} 4.458 0.136 0.140 {?} 64.180 0.983 1.022 214.378 41.605 0 0 291 {106.HA} 3.724 0.030 0.129 {106.HA} 3.731 0.081 0.220 {106.CA} 64.060 1.161 1.953 1356.129 5.320 0 0 292 {?} 3.723 0.041 0.083 {?} 2.924 0.087 0.155 {?} 64.088 1.165 1.894 4.205 2.681 0 0 293 {35.HA} 3.647 0.028 0.107 {39.HG3} 2.478 0.171 0.285 {35.CA} 64.054 1.064 1.521 8.732 2.157 0 0 294 {?} 3.640 0.042 0.064 {?} 2.303 0.171 0.275 {?} 64.224 0.862 1.304 20.558 2.861 0 0 295 {75.HA} 3.773 0.032 0.030 {75.HB} 2.095 0.119 0.107 {75.CA} 64.140 0.295 0.591 218.391 1.607 0 0 296 {?} 3.831 0.042 0.025 {?} 1.898 0.098 0.063 {?} 64.157 0.693 0.446 166.312 2.325 0 0 297 {?} 3.782 0.044 0.043 {?} 1.762 0.166 0.164 {?} 64.012 0.976 0.953 440.212 2.718 0 0 298 {?} 3.757 0.019 0.003 {?} 1.771 0.123 0.022 {?} 64.032 0.929 0.166 64.387 2.687 0 0 299 {?} 3.650 0.023 0.018 {?} 1.301 0.137 0.101 {?} 63.968 1.440 0.978 149.453 2.052 0 0 300 {?} 3.650 0.045 0.045 {?} 1.084 0.116 0.116 {?} 64.029 0.609 0.607 143.930 2.677 0 0 301 {?} 0.972 0.037 0.034 {?} 0.999 0.073 0.067 {?} 64.184 1.236 1.119 20.716 4.137 0 0 302 {?} 0.944 0.037 0.034 {?} 0.962 0.073 0.067 {?} 64.214 1.236 1.119 13.296 4.137 0 0 303 {75.HA 75.HA 75.HA} 3.778 0.065 0.026 {75.HG21 75.HG22 75.HG23} 0.905 0.101 0.058 {75.CA 75.CA 75.CA} 64.136 0.920 0.528 269.295 4.636 0 0 304 {35.HA} 3.717 0.036 0.031 {35.HG13} 0.884 0.118 0.107 {35.CA} 63.993 1.175 1.065 459.422 4.499 0 0 305 {75.HA} 3.836 0.041 0.086 {75.HG11} 0.642 0.109 0.152 {75.CA} 64.304 0.687 0.932 1012.454 8.380 0 0 306 {35.HA 35.HA 35.HA} 3.650 0.041 0.062 {35.HD11 35.HD12 35.HD13} 0.354 0.147 0.195 {35.CA 35.CA 35.CA} 63.985 1.149 1.628 255.458 7.357 0 0 307 {?} 4.166 0.041 0.062 {?} 9.059 0.147 0.195 {?} 63.478 1.149 1.628 4.430 7.357 0 0 308 {?} 4.705 0.044 0.059 {?} 7.899 0.085 0.114 {?} 63.683 0.810 1.092 29.645 1.494 0 0 309 {?} 4.309 0.053 0.085 {?} 7.831 0.124 0.214 {?} 63.587 0.893 1.622 81.936 11.152 0 0 310 {?} 3.945 0.053 0.085 {?} 7.738 0.124 0.214 {?} 63.516 0.893 1.622 144.944 11.152 0 0 311 {?} 4.310 0.039 0.068 {?} 7.588 0.094 0.168 {?} 63.496 0.653 1.063 163.287 3.275 0 0 312 {?} 4.309 0.018 0.001 {?} 7.404 0.139 0.006 {?} 63.484 0.511 0.045 151.067 3.509 0 0 313 {?} 3.649 0.054 0.091 {?} 7.411 0.132 0.219 {?} 63.933 0.757 1.737 410.979 7.550 0 0 314 {?} 3.718 0.054 0.091 {?} 7.358 0.132 0.219 {?} 63.951 0.757 1.737 33.254 8.813 0 0 315 {?} 7.230 0.054 0.091 {?} 7.245 0.132 0.219 {?} 63.711 0.757 1.737 92.297 4.011 0 0 316 {?} 4.708 0.039 0.044 {?} 7.192 0.129 0.143 {?} 63.473 0.905 1.001 32.105 1.782 0 0 317 {?} 3.721 0.026 0.037 {?} 7.135 0.154 0.176 {?} 63.850 1.037 1.211 90.151 1.692 0 0 318 {?} 4.170 0.054 0.112 {?} 6.151 0.143 0.223 {?} 63.557 1.432 2.045 110.462 2.217 0 0 319 {92.HA} 4.310 0.041 0.081 {108.HA} 5.160 0.103 0.195 {92.CA} 63.578 1.162 2.027 128.516 4.656 0 0 320 {?} 3.766 0.040 0.063 {?} 5.015 0.086 0.110 {?} 63.783 1.107 1.452 112.242 25.517 0 0 321 {?} 3.946 0.016 0.006 {?} 4.866 0.061 0.022 {?} 63.654 0.312 0.446 18.100 2.275 0 0 322 {?} 3.859 0.023 0.007 {?} 4.820 0.060 0.016 {?} 63.906 1.183 0.319 80.033 2.416 0 0 323 {?} 3.863 0.027 0.019 {?} 4.510 0.060 0.088 {?} 63.943 0.826 0.562 517.219 2.081 0 0 324 {?} 4.307 0.046 0.083 {?} 4.028 0.065 0.197 {?} 63.543 0.928 1.323 422.591 3.873 0 0 325 {?} 3.863 0.056 0.142 {?} 3.876 0.085 0.162 {?} 63.915 1.830 2.614 12931.339 2.241 0 0 326 {?} 4.063 0.056 0.142 {?} 3.742 0.085 0.162 {?} 63.826 1.830 2.614 11.006 2.866 0 0 327 {?} 4.309 0.041 0.027 {?} 3.638 0.175 0.128 {?} 63.501 1.250 0.882 45.068 2.844 0 0 328 {?} 3.950 0.032 0.026 {?} 3.360 0.056 0.097 {?} 63.708 0.841 0.663 107.332 7.204 0 0 329 {?} 1.089 0.032 0.021 {?} 3.315 0.120 0.172 {?} 63.493 1.331 0.833 28.663 6.783 0 0 330 {?} 3.864 0.021 0.060 {?} 2.926 0.128 0.177 {?} 63.876 0.970 1.209 8.820 1.816 0 0 331 {92.HA} 4.304 0.044 0.033 {108.HB3} 2.491 0.126 0.181 {92.CA} 63.559 0.887 0.615 21.403 2.223 0 0 332 {92.HA} 4.308 0.023 0.045 {110.HG3} 2.290 0.241 0.233 {92.CA} 63.576 0.738 0.722 146.050 6.077 0 0 333 {35.HA 35.HA} 3.651 0.023 0.045 {34.HB2 34.HB3} 2.096 0.241 0.233 {35.CA 35.CA} 63.954 0.738 0.722 30.189 6.077 0 0 334 {?} 4.308 0.023 0.045 {?} 1.879 0.241 0.233 {?} 63.700 0.738 0.722 15.144 6.077 0 0 335 {35.HA} 3.652 0.024 0.034 {35.HB} 1.741 0.106 0.224 {35.CA} 63.901 0.815 0.791 193.219 12.877 0 0 336 {?} 3.941 0.039 0.070 {?} 1.609 0.161 0.274 {?} 63.621 0.783 1.310 71.568 24.955 0 0 337 {106.HA} 3.718 0.041 0.065 {106.HB} 1.587 0.126 0.181 {106.CA} 63.921 0.761 1.193 239.592 8.493 0 0 338 {106.HA} 3.783 0.041 0.065 {2.HD3} 1.488 0.126 0.181 {106.CA} 63.927 0.761 1.193 22.948 8.493 0 0 339 {35.HA} 3.650 0.041 0.065 {38.HB3} 1.524 0.126 0.181 {35.CA} 63.919 0.761 1.193 164.995 8.493 0 0 340 {?} 4.309 0.023 0.011 {?} 1.183 0.102 0.039 {?} 63.521 0.585 0.227 581.668 1.776 0 0 341 {?} 3.717 0.023 0.017 {?} 1.057 0.100 0.068 {?} 63.948 0.714 0.488 759.118 4.149 0 0 342 {?} 3.946 0.026 0.037 {?} 0.989 0.187 0.297 {?} 63.581 0.920 1.534 511.516 2.313 0 0 343 {?} 1.017 0.045 0.097 {?} 1.035 0.211 0.301 {?} 63.780 1.172 1.675 10.731 5.857 0 0 344 {?} 4.309 0.043 0.133 {?} 0.843 0.103 0.148 {?} 63.521 1.167 1.999 77.686 8.161 0 0 345 {?} 3.649 0.038 0.068 {?} 0.812 0.111 0.188 {?} 63.892 0.773 1.428 792.712 6.371 0 0 346 {35.HA 35.HA 35.HA 106.HA 106.HA 106.HA} 3.718 0.038 0.068 {35.HG21 35.HG22 35.HG23 106.HG21 106.HG22 106.HG23} 0.759 0.111 0.188 {35.CA 35.CA 35.CA 106.CA 106.CA 106.CA} 63.912 0.773 1.428 250.521 6.809 0 0 347 {?} 3.718 0.022 0.010 {?} 0.405 0.074 0.057 {?} 63.897 0.611 0.459 1049.782 5.026 0 0 348 {106.HA 106.HA 106.HA} 3.718 0.020 0.023 {152.HD11 152.HD12 152.HD13} -0.105 0.128 0.148 {106.CA 106.CA 106.CA} 63.890 1.020 1.319 236.919 4.784 0 0 349 {?} 4.164 0.029 0.024 {?} 8.757 0.132 0.100 {?} 63.275 1.132 0.832 872.893 3.180 0 0 350 {?} 4.168 0.038 0.058 {?} 8.006 0.103 0.159 {?} 63.244 0.865 1.378 101.672 2.373 0 0 351 {?} 4.123 0.038 0.067 {?} 6.195 0.118 0.229 {?} 63.339 0.867 1.679 89.013 1.764 0 0 352 {?} 4.085 0.036 0.051 {?} 6.199 0.101 0.181 {?} 63.127 0.749 1.153 140.767 4.446 0 0 353 {?} 4.117 0.043 0.063 {?} 4.845 0.172 0.230 {?} 63.231 0.817 1.424 5.871 2.178 0 0 354 {?} 1.454 0.043 0.063 {?} 4.717 0.172 0.230 {?} 63.375 0.817 1.424 39.757 1.797 0 0 355 {166.HA} 4.173 0.043 0.063 {165.HA} 4.626 0.172 0.230 {166.CA} 63.157 0.817 1.424 210.144 2.066 0 0 356 {25.HA} 4.449 0.045 0.072 {25.HA} 4.460 0.126 0.181 {25.CA} 63.361 0.765 1.088 2848.712 19.083 0 0 357 {?} 4.309 0.029 0.049 {?} 4.321 0.107 0.157 {?} 63.078 1.641 2.345 2488.415 2.857 0 0 358 {?} 4.207 0.019 0.020 {?} 4.223 0.077 0.083 {?} 63.105 0.578 1.331 3568.858 772.993 0 0 359 {?} 3.640 0.021 0.014 {?} 3.976 0.093 0.163 {?} 63.296 0.993 0.761 371.146 5.023 0 0 360 {?} 4.309 0.024 0.007 {?} 3.860 0.182 0.083 {?} 62.883 0.442 0.331 1461.822 7.302 0 0 361 {?} 4.152 0.031 0.049 {?} 3.632 0.122 0.166 {?} 63.183 1.031 1.452 23.580 2.278 0 0 362 {35.HA} 3.642 0.029 0.018 {35.HA} 3.652 0.159 0.083 {35.CA} 63.373 1.564 0.938 2945.777 1.800 0 0 363 {?} 4.318 0.025 0.011 {?} 2.844 0.070 0.030 {?} 63.325 1.105 0.480 19.879 2.400 0 0 364 {25.HA} 4.441 0.037 0.029 {25.HG3} 2.214 0.050 0.036 {25.CA} 63.254 0.652 0.470 23.692 3.475 0 0 365 {?} 2.217 0.027 0.061 {?} 2.219 0.132 0.200 {?} 63.175 0.693 1.522 2.102 4.007 0 0 366 {166.HA} 4.163 0.034 0.034 {166.HB} 2.039 0.024 0.023 {166.CA} 63.268 0.761 0.742 7.729 3.197 0 0 367 {?} 4.441 0.034 0.034 {?} 1.982 0.024 0.023 {?} 63.281 0.761 0.742 212.163 3.197 0 0 368 {25.HA} 4.441 0.031 0.141 {25.HB2} 1.744 0.077 0.221 {25.CA} 63.245 0.775 2.290 353.060 3.251 0 0 369 {?} 4.108 0.031 0.043 {?} 1.181 0.044 0.062 {?} 63.207 0.912 1.429 1159.583 7.242 0 0 370 {?} 1.169 0.044 0.107 {?} 1.191 0.079 0.149 {?} 63.193 0.862 1.510 42.861 2.416 0 0 371 {166.HA 166.HA 166.HA} 4.164 0.028 0.022 {166.HG11 166.HG12 166.HG13} 1.001 0.183 0.148 {166.CA 166.CA 166.CA} 63.240 1.327 1.000 166.293 10.439 0 0 372 {25.HA} 4.439 0.015 0.005 {26.HG23} 0.955 0.150 0.058 {25.CA} 63.191 1.101 0.411 6.175 3.128 0 0 373 {?} 4.108 0.020 0.017 {?} 0.121 0.044 0.034 {?} 63.196 0.782 0.610 28.749 11.071 0 0 374 {166.HA} 4.166 0.022 0.024 {159.HG13} -0.350 0.068 0.167 {166.CA} 63.238 0.846 0.979 157.896 30.326 0 0 375 {?} 3.781 0.031 0.042 {?} 8.774 0.141 0.420 {?} 62.559 0.970 1.242 51.640 7.984 0 0 376 {?} 4.656 0.031 0.042 {?} 8.613 0.141 0.420 {?} 62.721 0.970 1.242 1.285 13.748 0 0 377 {?} 3.781 0.039 0.043 {?} 8.430 0.135 0.190 {?} 62.597 0.721 0.786 93.688 1.658 0 0 378 {40.HA 156.HA} 4.657 0.032 0.034 {40.HA 156.HA} 4.677 0.138 0.360 {40.CA 156.CA} 62.621 1.192 1.287 329.565 10.311 0 0 379 {16.HA} 3.783 0.046 0.088 {16.HA} 3.801 0.079 0.181 {16.CA} 62.653 0.819 1.459 1388.084 16.354 0 0 380 {?} 3.703 0.039 0.032 {?} 3.713 0.143 0.112 {?} 62.499 1.084 0.855 1784.740 10.835 0 0 381 {?} 3.522 0.039 0.032 {?} 3.524 0.143 0.112 {?} 62.497 1.084 0.855 155.256 10.835 0 0 382 {16.HA 16.HA} 3.779 0.039 0.032 {11.HB3 147.HD3} 3.458 0.143 0.112 {16.CA 16.CA} 62.651 1.084 0.855 14.565 10.835 0 0 383 {16.HA 16.HA} 3.777 0.039 0.032 {14.HB2 147.HD2} 3.253 0.143 0.112 {16.CA 16.CA} 62.527 1.084 0.855 7.213 10.835 0 0 384 {16.HA} 3.783 0.039 0.032 {17.HB2} 2.650 0.143 0.112 {16.CA} 62.677 1.084 0.855 40.805 10.835 0 0 385 {?} 2.047 0.039 0.032 {?} 2.056 0.143 0.112 {?} 62.664 1.084 0.855 9.800 10.835 0 0 386 {16.HA} 3.786 0.037 0.127 {16.HB} 1.912 0.118 0.168 {16.CA} 62.622 0.789 1.653 138.501 16.721 0 0 387 {16.HA 16.HA 16.HA} 3.783 0.045 0.065 {16.HG11 16.HG12 16.HG13} 1.082 0.138 0.161 {16.CA 16.CA 16.CA} 62.601 0.952 1.048 251.763 8.857 0 0 388 {16.HA 16.HA 16.HA} 3.780 0.045 0.065 {16.HG21 16.HG22 16.HG23} 0.239 0.138 0.161 {16.CA 16.CA 16.CA} 62.614 0.952 1.048 323.118 8.857 0 0 389 {?} 3.868 0.045 0.065 {?} 9.937 0.138 0.161 {?} 61.873 0.952 1.048 167.702 8.857 0 0 390 {?} 4.131 0.045 0.085 {?} 9.321 0.132 0.263 {?} 61.879 0.774 1.639 207.261 21.237 0 0 391 {?} 4.078 0.036 0.086 {?} 9.032 0.101 0.234 {?} 62.192 0.842 2.029 193.042 4.117 0 0 392 {?} 4.025 0.038 0.070 {?} 8.839 0.120 0.171 {?} 61.810 0.740 1.247 645.610 1.720 0 0 393 {?} 4.125 0.039 0.078 {?} 8.396 0.079 0.198 {?} 61.858 1.185 2.120 216.511 1.618 0 0 394 {113.HA} 3.852 0.018 0.005 {55.HE22} 8.230 0.066 0.019 {113.CA} 61.903 0.274 0.178 37.356 3.014 0 0 395 {?} 4.123 0.035 0.060 {?} 7.995 0.125 0.177 {?} 61.897 0.781 1.424 18.246 1.427 0 0 396 {?} 4.078 0.041 0.084 {?} 7.989 0.082 0.194 {?} 62.136 0.833 2.012 30.227 2.885 0 0 397 {?} 7.850 0.041 0.084 {?} 7.860 0.082 0.194 {?} 62.127 0.833 2.012 74.353 53.569 0 0 398 {?} 3.855 0.038 0.090 {?} 7.748 0.043 0.263 {?} 61.794 0.807 1.834 78.168 49.489 0 0 399 {?} 4.122 0.037 0.111 {?} 7.557 0.182 0.329 {?} 61.844 0.802 1.933 372.373 68.130 0 0 400 {?} 7.428 0.037 0.068 {?} 7.436 0.081 0.165 {?} 61.799 0.822 1.625 4825.146 2.537 0 0 401 {?} 4.079 0.037 0.068 {?} 7.396 0.081 0.165 {?} 62.233 0.822 1.625 148.061 3.183 0 0 402 {?} 4.414 0.043 0.102 {?} 7.347 0.085 0.235 {?} 62.137 0.921 1.316 268.799 2.092 0 0 403 {?} 3.860 0.031 0.044 {?} 7.006 0.090 0.116 {?} 61.906 0.859 1.107 52.813 174.492 0 0 404 {113.HA} 3.857 0.008 0.005 {57.HA} 5.365 0.159 0.049 {113.CA} 61.823 1.435 0.382 71.222 2.906 0 0 405 {154.HA} 4.028 0.011 0.006 {155.HA} 5.001 0.147 0.026 {154.CA} 61.876 1.298 0.256 186.173 6.901 0 0 406 {?} 4.084 0.032 0.033 {?} 4.854 0.075 0.077 {?} 62.203 1.197 1.381 99.351 2.828 0 0 407 {76.HA 161.HA} 4.132 0.019 0.000 {76.HA 161.HA} 4.141 0.117 0.002 {76.CA 161.CA} 61.869 0.604 0.022 979.998 7.729 0 0 408 {26.HA} 4.080 0.027 0.027 {26.HA} 4.087 0.059 0.058 {26.CA} 62.304 0.925 0.911 3386.341 15.452 0 0 409 {26.HA 154.HA} 4.029 0.060 0.158 {26.HA 154.HA} 4.037 0.105 0.205 {26.CA 154.CA} 61.921 0.912 2.868 1537.660 9.419 0 0 410 {10.HA} 4.415 0.037 0.107 {10.HB3} 3.458 0.073 0.188 {10.CA} 62.060 0.908 2.853 157.952 25.268 0 0 411 {10.HA} 4.414 0.029 0.085 {10.HB2} 3.184 0.075 0.198 {10.CA} 62.054 0.710 2.231 427.908 2.114 0 0 412 {26.HA} 4.072 0.015 0.013 {27.HB3} 3.127 0.016 0.014 {26.CA} 62.201 0.902 0.764 138.952 34.000 0 0 413 {161.HA} 4.124 0.015 0.013 {161.HB3} 2.895 0.016 0.014 {161.CA} 61.852 0.902 0.764 313.049 34.000 0 0 414 {?} 4.128 0.015 0.013 {?} 2.600 0.016 0.014 {?} 61.868 0.902 0.764 60.446 34.000 0 0 415 {154.HA} 4.072 0.013 0.014 {155.HG2} 2.268 0.108 0.116 {154.CA} 62.086 0.044 0.048 216.698 3.053 0 0 416 {154.HA} 4.029 0.023 0.016 {155.HG2} 2.266 0.082 0.049 {154.CA} 61.822 0.652 0.931 211.329 1.860 0 0 417 {113.HA 113.HA 113.HA} 3.856 0.019 0.100 {55.HB3 56.HB3 113.HB} 2.116 0.075 0.206 {113.CA 113.CA 113.CA} 61.825 0.877 1.253 91.531 5.374 0 0 418 {26.HA} 4.077 0.025 0.025 {26.HB} 2.045 0.092 0.091 {26.CA} 62.157 1.112 1.104 146.839 3.487 0 0 419 {26.HA} 4.029 0.038 0.071 {26.HB} 2.055 0.131 0.213 {26.CA} 61.820 0.886 1.953 186.166 3.377 0 0 420 {154.HA 154.HA} 4.025 0.018 0.018 {149.HB3 154.HB} 1.865 0.098 0.095 {154.CA 154.CA} 61.873 0.432 0.417 112.733 11.273 0 0 421 {26.HA} 4.080 0.033 0.060 {25.HB2} 1.744 0.127 0.235 {26.CA} 62.101 0.958 1.368 233.156 11.081 0 0 422 {10.HA} 4.407 0.033 0.060 {9.HB1} 1.650 0.127 0.235 {10.CA} 62.047 0.958 1.368 223.286 11.081 0 0 423 {?} 4.131 0.033 0.068 {?} 1.605 0.144 0.274 {?} 61.772 0.861 1.779 347.126 22.172 0 0 424 {?} 4.020 0.039 0.078 {?} 1.494 0.081 0.162 {?} 61.877 0.978 1.813 115.198 47.259 0 0 425 {10.HA} 4.416 0.035 0.073 {13.HB2} 1.240 0.099 0.218 {10.CA} 62.066 1.026 2.162 327.779 3.093 0 0 426 {113.HA} 3.855 0.020 0.014 {56.HB2} 1.165 0.073 0.045 {113.CA} 61.822 0.430 0.582 309.002 1.676 0 0 427 {26.HA} 4.076 0.020 0.014 {26.HG22} 0.966 0.073 0.045 {26.CA} 62.205 0.430 0.582 2175.800 1.676 0 0 428 {26.HA 154.HA} 4.026 0.041 0.102 {26.HG13 154.HG22} 0.897 0.161 0.286 {26.CA 154.CA} 61.823 0.960 1.371 1581.730 1.740 0 0 429 {?} 3.858 0.041 0.102 {?} 0.850 0.161 0.286 {?} 61.810 0.960 1.371 361.503 1.740 0 0 430 {?} 4.412 0.020 0.020 {?} 0.331 0.056 0.058 {?} 62.099 0.432 0.450 118.289 2.595 0 0 431 {161.HA} 4.127 0.025 0.014 {159.HG12} -0.359 0.051 0.048 {161.CA} 61.821 1.420 0.564 406.843 2.579 0 0 432 {?} 4.395 0.038 0.051 {?} 8.756 0.109 0.172 {?} 61.479 1.114 1.591 402.362 2.833 0 0 433 {?} 4.161 0.049 0.054 {?} 8.740 0.113 0.133 {?} 61.441 0.902 1.046 268.139 10.253 0 0 434 {?} 4.155 0.049 0.054 {?} 8.357 0.113 0.133 {?} 61.426 0.902 1.046 249.507 10.253 0 0 435 {?} 4.165 0.049 0.054 {?} 8.176 0.113 0.133 {?} 61.395 0.902 1.046 133.597 10.253 0 0 436 {?} 4.029 0.039 0.043 {?} 8.049 0.095 0.108 {?} 61.718 0.981 1.112 350.659 12.857 0 0 437 {?} 4.396 0.039 0.043 {?} 8.006 0.095 0.108 {?} 61.485 0.981 1.112 755.961 12.857 0 0 438 {?} 7.536 0.039 0.043 {?} 7.511 0.095 0.108 {?} 61.684 0.981 1.112 1956.199 12.857 0 0 439 {?} 7.162 0.046 0.094 {?} 7.539 0.083 0.211 {?} 61.573 1.155 1.968 59.659 2.755 0 0 440 {?} 7.388 0.039 0.080 {?} 7.392 0.130 0.211 {?} 61.567 1.104 1.861 3212.663 5.086 0 0 441 {76.HA 148.HA} 4.162 0.039 0.080 {77.H 148.HD1} 7.359 0.130 0.211 {76.CA 148.CA} 61.404 1.104 1.861 761.882 4.088 0 0 442 {?} 7.268 0.048 0.124 {?} 7.296 0.125 0.274 {?} 61.743 0.564 1.773 251.044 19.447 0 0 443 {?} 7.546 0.019 0.082 {?} 7.144 0.072 0.201 {?} 61.508 1.231 1.759 283.199 5.086 0 0 444 {?} 7.160 0.009 0.020 {?} 7.146 0.098 0.103 {?} 61.579 1.289 1.361 387.988 1.990 0 0 445 {?} 7.459 0.026 0.007 {?} 7.070 0.080 0.020 {?} 61.590 0.312 0.445 206.778 5.141 0 0 446 {?} 7.070 0.028 0.014 {?} 7.080 0.095 0.030 {?} 61.494 0.743 0.237 206.905 5.379 0 0 447 {?} 4.142 0.051 0.045 {?} 7.100 0.075 0.151 {?} 61.682 1.002 0.874 524.625 1.962 0 0 448 {?} 7.344 0.015 0.013 {?} 6.636 0.086 0.074 {?} 61.486 0.328 0.284 127.291 6.805 0 0 449 {?} 7.264 0.044 0.043 {?} 6.645 0.193 0.189 {?} 61.404 1.113 1.088 109.919 9.873 0 0 450 {?} 4.167 0.046 0.097 {?} 6.612 0.079 0.157 {?} 61.534 1.138 1.932 162.527 54.597 0 0 451 {?} 7.157 0.040 0.089 {?} 5.937 0.106 0.194 {?} 61.501 1.176 2.061 84.294 2.598 0 0 452 {?} 4.127 0.068 0.066 {?} 5.159 0.113 0.106 {?} 61.449 0.816 0.765 64.169 10.654 0 0 453 {161.HA} 4.118 0.034 0.058 {160.HA} 4.932 0.112 0.172 {161.CA} 61.671 1.021 1.728 97.327 2.025 0 0 454 {?} 4.128 0.037 0.046 {?} 4.670 0.093 0.120 {?} 61.418 0.990 1.312 50.146 1.994 0 0 455 {10.HA 167.HA} 4.397 0.045 0.118 {10.HA 167.HA} 4.408 0.110 0.203 {10.CA 167.CA} 61.531 0.811 1.928 6283.245 3.068 0 0 456 {?} 4.399 0.044 0.059 {?} 3.941 0.106 0.158 {?} 61.310 0.839 1.195 398.074 2.324 0 0 457 {?} 4.162 0.031 0.018 {?} 3.823 0.200 0.141 {?} 61.383 0.919 0.486 322.545 81.345 0 0 458 {148.HA 161.HA} 4.161 0.031 0.018 {148.HB3 161.HB2} 3.346 0.200 0.141 {148.CA 161.CA} 61.503 0.919 0.486 351.229 81.345 0 0 459 {?} 7.161 0.019 0.054 {?} 2.878 0.096 0.158 {?} 61.669 0.907 1.362 98.419 90.199 0 0 460 {?} 4.140 0.037 0.052 {?} 2.371 0.082 0.119 {?} 61.652 1.046 1.665 472.047 41.084 0 0 461 {167.HA} 4.395 0.037 0.052 {167.HB} 2.226 0.082 0.119 {167.CA} 61.469 1.046 1.665 435.017 41.084 0 0 462 {?} 7.542 0.058 0.034 {?} 2.155 0.107 0.055 {?} 61.505 2.297 3.281 40.968 9.145 0 0 463 {?} 7.161 0.049 0.088 {?} 2.153 0.105 0.178 {?} 61.523 0.853 1.598 70.147 10.473 0 0 464 {?} 4.144 0.043 0.083 {?} 2.100 0.117 0.168 {?} 61.578 0.771 1.518 471.283 3.205 0 0 465 {?} 7.381 0.037 0.052 {?} 1.946 0.116 0.165 {?} 61.599 0.911 1.302 117.295 7.435 0 0 466 {76.HA} 4.141 0.032 0.029 {76.HB} 1.883 0.070 0.061 {76.CA} 61.655 0.663 0.579 633.581 3.968 0 0 467 {?} 7.539 0.036 0.067 {?} 1.825 0.128 0.234 {?} 61.567 0.861 1.626 126.954 5.309 0 0 468 {?} 7.157 0.036 0.067 {?} 1.836 0.128 0.234 {?} 61.676 0.861 1.626 38.225 4.831 0 0 469 {113.HA} 3.859 0.038 0.019 {58.HG} 1.767 0.081 0.045 {113.CA} 61.708 0.778 0.432 89.439 7.031 0 0 470 {?} 7.150 0.038 0.019 {?} 1.447 0.081 0.045 {?} 61.681 0.778 0.432 97.408 7.031 0 0 471 {?} 7.455 0.038 0.019 {?} 1.007 0.081 0.045 {?} 61.617 0.778 0.432 92.031 7.031 0 0 472 {?} 4.395 0.049 0.032 {?} 0.992 0.046 0.054 {?} 61.429 0.913 0.486 899.017 11.865 0 0 473 {?} 7.540 0.027 0.027 {?} 0.937 0.147 0.153 {?} 61.640 1.067 1.116 217.546 8.150 0 0 474 {?} 7.264 0.038 0.027 {?} 0.933 0.130 0.101 {?} 61.533 0.864 0.639 77.804 6.210 0 0 475 {26.HA 26.HA 26.HA} 4.142 0.038 0.027 {26.HG21 26.HG22 26.HG23} 0.960 0.130 0.101 {26.CA 26.CA 26.CA} 61.696 0.864 0.639 90.430 6.210 0 0 476 {?} 7.345 0.058 0.082 {?} 0.903 0.093 0.241 {?} 61.591 1.110 1.586 60.177 2.382 0 0 477 {?} 7.164 0.058 0.082 {?} 0.573 0.093 0.241 {?} 61.552 1.110 1.586 5.680 4.084 0 0 478 {?} 4.141 0.058 0.082 {?} 0.561 0.093 0.241 {?} 61.702 1.110 1.586 1454.283 4.763 0 0 479 {?} 7.534 0.047 0.173 {?} 0.473 0.087 0.213 {?} 61.718 0.877 1.252 386.172 2.266 0 0 480 {10.HD1 10.HD1 10.HD1} 7.346 0.058 0.082 {106.HD11 106.HD12 106.HD13} 0.341 0.084 0.207 {10.CD1 10.CD1 10.CD1} 61.577 1.135 1.622 15.804 16.783 0 0 481 {?} 7.249 0.058 0.082 {?} 0.356 0.084 0.207 {?} 61.569 1.135 1.622 104.238 5.269 0 0 482 {?} 7.084 0.039 0.094 {?} 0.291 0.138 0.197 {?} 61.521 1.144 1.864 132.735 41.969 0 0 483 {148.HA} 4.162 0.042 0.094 {16.HG22} 0.249 0.110 0.224 {148.CA} 61.411 1.248 2.067 128.773 25.455 0 0 484 {?} 4.165 0.042 0.094 {?} -0.120 0.110 0.224 {?} 61.479 1.248 2.067 26.198 25.455 0 0 485 {?} 7.037 0.025 0.027 {?} 7.036 0.091 0.099 {?} 61.004 0.861 0.935 53.624 17.822 0 0 486 {?} 6.982 0.047 0.078 {?} 7.013 0.102 0.207 {?} 61.071 0.840 1.583 106.120 5.881 0 0 487 {?} 7.138 0.052 0.065 {?} 6.795 0.163 0.196 {?} 60.919 0.843 1.064 54.289 10.177 0 0 488 {?} 6.275 0.046 0.065 {?} 6.308 0.192 0.274 {?} 60.944 1.045 1.594 22.955 13.823 0 0 489 {?} 4.278 0.037 0.052 {?} 8.750 0.128 0.170 {?} 60.569 0.696 0.970 564.471 9.052 0 0 490 {?} 4.279 0.038 0.069 {?} 8.126 0.172 0.261 {?} 60.474 0.965 1.780 21.869 4.450 0 0 491 {87.HA} 4.246 0.038 0.069 {89.H} 7.804 0.172 0.261 {87.CA} 60.577 0.965 1.780 181.807 3.660 0 0 492 {?} 3.975 0.050 0.082 {?} 7.559 0.130 0.287 {?} 60.416 1.014 1.986 40.819 5.334 0 0 493 {?} 4.248 0.037 0.052 {?} 7.403 0.137 0.274 {?} 60.413 0.769 1.303 17.979 26.290 0 0 494 {?} 3.953 0.037 0.058 {?} 7.085 0.109 0.181 {?} 60.162 0.803 1.261 27.808 43.812 0 0 495 {?} 4.250 0.030 0.024 {?} 7.017 0.046 0.077 {?} 60.410 1.197 0.923 6.850 3.955 0 0 496 {159.HA} 4.274 0.034 0.040 {158.HA} 5.172 0.093 0.119 {159.CA} 60.433 1.398 1.708 88.225 99.392 0 0 497 {159.HA} 4.255 0.047 0.067 {160.HA} 4.905 0.192 0.296 {159.CA} 60.511 0.870 1.211 45.200 12.974 0 0 498 {?} 3.977 0.047 0.067 {?} 4.856 0.192 0.296 {?} 60.338 0.870 1.211 180.074 12.974 0 0 499 {87.HA 159.HA} 4.241 0.028 0.021 {87.HA 159.HA} 4.251 0.093 0.156 {87.CA 159.CA} 60.312 0.694 0.492 3756.831 12.817 0 0 500 {67.HA} 3.974 0.041 0.083 {67.HA} 3.985 0.096 0.209 {67.CA} 60.279 1.083 1.904 908.024 4.065 0 0 501 {?} 3.694 0.042 0.063 {?} 3.705 0.259 0.328 {?} 60.353 0.757 1.094 1061.092 6.667 0 0 502 {?} 3.982 0.042 0.063 {?} 2.963 0.259 0.328 {?} 60.273 0.757 1.094 46.861 2.851 0 0 503 {?} 4.252 0.046 0.097 {?} 2.814 0.100 0.240 {?} 60.461 0.872 2.127 111.549 4.153 0 0 504 {87.HA} 4.244 0.062 0.089 {87.HG3} 2.500 0.159 0.307 {87.CA} 60.549 0.805 1.995 451.186 8.615 0 0 505 {?} 3.385 0.062 0.089 {?} 2.267 0.159 0.307 {?} 60.279 0.805 1.995 43.296 2.012 0 0 506 {87.HA} 4.244 0.062 0.089 {87.HB2} 2.158 0.159 0.307 {87.CA} 60.423 0.805 1.995 831.089 2.938 0 0 507 {?} 2.054 0.062 0.089 {?} 2.064 0.159 0.307 {?} 60.296 0.805 1.995 14.200 2.911 0 0 508 {?} 3.978 0.050 0.107 {?} 1.594 0.118 0.208 {?} 60.383 0.771 1.784 150.346 2.627 0 0 509 {67.HA 67.HA 67.HA} 3.987 0.050 0.107 {61.HB1 61.HB2 61.HB3} 1.181 0.118 0.208 {67.CA 67.CA 67.CA} 60.287 0.771 1.784 18.550 1.713 0 0 510 {159.HA} 4.279 0.037 0.059 {159.HB} 0.998 0.100 0.165 {159.CA} 60.605 1.122 1.712 96.717 2.194 0 0 511 {67.HA} 3.977 0.045 0.090 {47.HD21} 0.975 0.134 0.217 {67.CA} 60.347 0.837 1.832 30.323 1.647 0 0 512 {?} 0.847 0.036 0.070 {?} 0.839 0.079 0.206 {?} 60.415 1.180 1.958 2.125 193.795 0 0 513 {?} 4.276 0.036 0.070 {?} 0.550 0.079 0.206 {?} 60.584 1.180 1.958 21.132 193.795 0 0 514 {?} 3.978 0.050 0.077 {?} 0.554 0.124 0.214 {?} 60.322 0.946 1.747 347.678 2.325 0 0 515 {67.HA 67.HA 67.HA} 3.978 0.060 0.082 {67.HD11 67.HD12 67.HD13} 0.094 0.149 0.200 {67.CA 67.CA 67.CA} 60.318 0.958 1.328 196.760 7.933 0 0 516 {159.HA 159.HA 159.HA} 4.277 0.033 0.042 {159.HG11 159.HG12 159.HG13} -0.349 0.111 0.154 {159.CA 159.CA 159.CA} 60.592 0.840 1.008 314.757 10.000 0 0 517 {?} 4.074 0.033 0.042 {?} 9.705 0.111 0.154 {?} 59.803 0.840 1.008 82.699 10.000 0 0 518 {?} 4.471 0.047 0.069 {?} 9.151 0.087 0.146 {?} 59.915 0.901 1.499 95.429 2.442 0 0 519 {?} 4.232 0.038 0.085 {?} 8.572 0.120 0.242 {?} 59.860 1.202 1.832 74.144 13.620 0 0 520 {?} 4.232 0.031 0.048 {?} 8.367 0.183 0.351 {?} 59.712 0.790 1.708 154.550 32.847 0 0 521 {?} 3.378 0.031 0.038 {?} 8.042 0.095 0.119 {?} 60.003 1.007 1.271 78.697 2.154 0 0 522 {?} 4.233 0.054 0.114 {?} 3.844 0.092 0.132 {?} 59.921 1.176 2.210 45.946 2.495 0 0 523 {147.HA} 4.231 0.047 0.081 {147.HD3} 3.430 0.182 0.260 {147.CA} 59.912 0.999 1.943 73.949 6.671 0 0 524 {147.HA} 4.234 0.038 0.073 {147.HD2} 3.266 0.162 0.263 {147.CA} 59.853 0.866 1.684 225.753 1.723 0 0 525 {4.HA 4.HA} 3.384 0.046 0.068 {4.HD2 4.HD3} 3.124 0.156 0.199 {4.CA 4.CA} 59.841 1.420 1.659 147.505 14.369 0 0 526 {4.HA} 3.377 0.059 0.104 {4.HB3} 1.994 0.158 0.241 {4.CA} 60.084 0.583 1.696 7.948 2.285 0 0 527 {147.HA} 4.232 0.031 0.030 {147.HG3} 1.801 0.166 0.162 {147.CA} 59.780 1.228 1.205 846.039 1.827 0 0 528 {30.HA} 4.078 0.017 0.056 {33.HG} 1.798 0.115 0.154 {30.CA} 59.678 1.312 1.405 73.362 2.036 0 0 529 {3.HA} 4.468 0.039 0.080 {2.HB3} 1.689 0.111 0.239 {3.CA} 59.934 0.815 1.641 68.959 1.608 0 0 530 {147.HA 147.HA} 4.232 0.020 0.032 {150.HB1 150.HB2} 1.579 0.165 0.082 {147.CA 147.CA} 59.743 1.464 0.894 1514.965 4.497 0 0 531 {?} 4.471 0.028 0.028 {?} 1.299 0.147 0.147 {?} 59.931 1.276 1.282 328.144 42.639 0 0 532 {4.HA} 3.377 0.031 0.031 {4.HG3} 1.139 0.144 0.144 {4.CA} 59.904 1.177 1.171 557.559 5.761 0 0 533 {30.HA} 4.078 0.026 0.024 {29.HG13} 0.972 0.135 0.122 {30.CA} 59.696 1.395 1.255 126.335 3.241 0 0 534 {4.HA} 3.380 0.029 0.007 {7.HB3} 0.864 0.119 0.035 {4.CA} 59.593 1.119 0.326 221.604 24.380 0 0 535 {?} 3.377 0.029 0.007 {?} 0.577 0.119 0.035 {?} 59.936 1.119 0.326 204.449 24.380 0 0 536 {4.HA 4.HA 4.HA} 3.377 0.029 0.007 {7.HG 7.HD11 7.HD12} 0.278 0.119 0.035 {4.CA 4.CA 4.CA} 59.967 1.119 0.326 355.585 24.380 0 0 537 {4.HA 4.HA 4.HA} 3.371 0.033 0.025 {7.HD21 7.HD22 7.HD23} 0.018 0.101 0.067 {4.CA 4.CA 4.CA} 59.885 0.872 0.581 63.288 3.267 0 0 538 {?} 3.853 0.023 0.006 {?} 9.625 0.052 0.026 {?} 59.351 1.020 0.227 7.676 2.951 0 0 539 {?} 4.090 0.042 0.185 {?} 9.122 0.112 0.197 {?} 59.258 1.277 1.824 270.145 30.884 0 0 540 {?} 4.093 0.042 0.185 {?} 8.871 0.112 0.197 {?} 59.189 1.277 1.824 87.900 2.412 0 0 541 {?} 3.806 0.026 0.021 {?} 8.644 0.012 0.020 {?} 59.186 0.526 0.390 96.416 2.566 0 0 542 {?} 3.803 0.026 0.021 {?} 8.428 0.012 0.020 {?} 59.262 0.526 0.390 66.205 2.566 0 0 543 {?} 4.090 0.026 0.021 {?} 8.118 0.012 0.020 {?} 59.282 0.526 0.390 234.304 2.566 0 0 544 {?} 4.136 0.049 0.079 {?} 7.870 0.161 0.230 {?} 59.475 0.763 1.280 380.667 1.942 0 0 545 {89.HA} 2.796 0.050 0.082 {89.H} 7.860 0.113 0.236 {89.CA} 59.286 1.182 1.948 183.483 2.117 0 0 546 {?} 2.792 0.050 0.082 {?} 7.596 0.113 0.236 {?} 59.271 1.182 1.948 53.629 4.514 0 0 547 {?} 4.065 0.022 0.018 {?} 7.405 0.068 0.127 {?} 59.077 1.029 0.825 809.446 1.946 0 0 548 {?} 2.792 0.041 0.076 {?} 7.397 0.107 0.220 {?} 59.238 0.847 1.210 192.659 1.955 0 0 549 {?} 3.795 0.036 0.097 {?} 7.252 0.093 0.224 {?} 59.185 1.109 2.063 13.317 1.798 0 0 550 {?} 4.137 0.034 0.025 {?} 7.203 0.113 0.073 {?} 59.491 1.225 0.761 146.912 4.106 0 0 551 {?} 2.796 0.030 0.027 {?} 7.221 0.176 0.128 {?} 59.249 0.984 0.814 141.580 1.594 0 0 552 {?} 4.141 0.041 0.085 {?} 7.021 0.211 0.301 {?} 59.528 0.954 1.666 95.574 11.060 0 0 553 {?} 2.789 0.023 0.008 {?} 6.981 0.194 0.061 {?} 59.303 0.978 0.295 114.323 4.154 0 0 554 {?} 4.094 0.038 0.082 {?} 6.201 0.153 0.247 {?} 59.252 0.888 2.124 60.144 6.147 0 0 555 {119.HA} 3.807 0.018 0.033 {118.HA} 5.160 0.146 0.102 {119.CA} 59.132 0.886 0.637 54.784 2.775 0 0 556 {119.HA} 3.798 0.026 0.013 {160.HA} 4.909 0.145 0.059 {119.CA} 59.194 0.644 0.257 30.866 3.977 0 0 557 {86.HA} 4.126 0.029 0.021 {85.HA} 4.841 0.128 0.071 {86.CA} 59.475 0.786 0.442 223.304 1.680 0 0 558 {30.HA 86.HA 91.HA 142.HA} 4.070 0.028 0.014 {30.HA 86.HA 91.HA 142.HA} 4.083 0.140 0.024 {30.CA 86.CA 91.CA 142.CA} 59.345 1.752 0.300 1457.355 2.422 0 0 559 {?} 3.383 0.069 0.107 {?} 3.966 0.192 0.240 {?} 59.275 1.133 1.556 281.076 2.474 0 0 560 {?} 2.793 0.035 0.085 {?} 3.641 0.085 0.221 {?} 59.193 0.987 1.892 146.617 1.941 0 0 561 {36.HA} 3.382 0.039 0.097 {36.HA} 3.399 0.250 0.354 {36.CA} 59.073 0.468 1.544 2102.245 2.215 0 0 562 {?} 3.801 0.056 0.064 {?} 3.058 0.142 0.166 {?} 59.204 1.254 1.346 139.148 92.937 0 0 563 {?} 4.133 0.056 0.064 {?} 2.811 0.142 0.166 {?} 59.567 1.254 1.346 382.647 92.937 0 0 564 {?} 4.091 0.053 0.097 {?} 2.840 0.175 0.250 {?} 59.255 0.827 2.091 236.778 13.612 0 0 565 {89.HA} 2.797 0.031 0.036 {89.HA} 2.811 0.181 0.200 {89.CA} 59.272 1.135 1.255 740.043 51.519 0 0 566 {36.HA} 3.382 0.038 0.038 {39.HG3} 2.499 0.173 0.174 {36.CA} 59.069 1.088 1.097 36.568 1.722 0 0 567 {91.HA} 4.129 0.037 0.093 {91.HB2} 2.288 0.155 0.224 {91.CA} 59.270 0.818 2.016 3179.995 2.707 0 0 568 {89.HA} 2.801 0.026 0.025 {88.HB2} 2.265 0.086 0.184 {89.CA} 59.315 0.779 0.756 45.590 26.252 0 0 569 {30.HA 142.HA} 4.074 0.037 0.032 {30.HB2 142.HB2} 2.108 0.102 0.192 {30.CA 142.CA} 59.562 1.313 1.160 778.596 2.689 0 0 570 {89.HA} 2.795 0.027 0.014 {89.HG3} 2.017 0.216 0.147 {89.CA} 59.278 1.527 0.751 11.948 43.880 0 0 571 {119.HA} 3.804 0.017 0.010 {158.HB} 1.844 0.161 0.107 {119.CA} 59.197 1.167 0.719 93.490 1.752 0 0 572 {119.HA 119.HA} 3.804 0.030 0.051 {119.HB3 119.HG2} 1.513 0.103 0.154 {119.CA 119.CA} 59.161 0.838 1.133 747.074 4.744 0 0 573 {89.HA 89.HA} 2.796 0.028 0.018 {89.HB2 89.HB3} 1.473 0.101 0.050 {89.CA 89.CA} 59.253 0.858 0.426 95.448 2.921 0 0 574 {?} 4.133 0.028 0.018 {?} 1.222 0.101 0.050 {?} 59.232 0.858 0.426 173.012 2.921 0 0 575 {?} 4.091 0.028 0.018 {?} 1.224 0.101 0.050 {?} 59.250 0.858 0.426 530.159 2.921 0 0 576 {89.HA} 2.795 0.019 0.011 {89.HG2} 1.210 0.118 0.061 {89.CA} 59.277 0.714 1.020 345.783 14.173 0 0 577 {?} 3.805 0.022 0.010 {?} 0.794 0.098 0.036 {?} 59.162 1.357 0.491 776.309 8.059 0 0 578 {89.HA 89.HA 89.HA} 2.793 0.025 0.030 {93.HD11 93.HD12 93.HD13} 0.814 0.097 0.128 {89.CA 89.CA 89.CA} 59.296 1.052 1.365 107.205 1.591 0 0 579 {89.HA} 2.795 0.012 0.003 {95.HG21} 0.539 0.100 0.016 {89.CA} 59.239 1.185 0.202 103.820 11.457 0 0 580 {?} 4.169 0.053 0.111 {?} 8.731 0.086 0.194 {?} 58.599 0.907 1.938 82.010 13.970 0 0 581 {36.HA} 3.384 0.025 0.034 {39.H} 7.522 0.150 0.194 {36.CA} 58.998 1.137 1.482 14.991 6.428 0 0 582 {?} 4.109 0.025 0.034 {?} 7.405 0.150 0.194 {?} 58.954 1.137 1.482 376.729 6.428 0 0 583 {?} 4.244 0.025 0.034 {?} 7.144 0.150 0.194 {?} 58.690 1.137 1.482 107.972 6.428 0 0 584 {?} 4.324 0.036 0.064 {?} 7.100 0.136 0.213 {?} 58.869 0.761 1.160 52.831 10.233 0 0 585 {34.HA 142.HA} 4.113 0.036 0.064 {34.HA 142.HA} 4.126 0.136 0.213 {34.CA 142.CA} 58.939 0.761 1.160 5779.184 10.233 0 0 586 {91.HA} 4.023 0.036 0.064 {91.HA} 4.035 0.136 0.213 {91.CA} 58.920 0.761 1.160 1819.538 10.233 0 0 587 {145.HA} 4.170 0.042 0.041 {148.HB2} 3.785 0.098 0.093 {145.CA} 58.624 1.147 1.093 31.710 3.487 0 0 588 {34.HA} 4.119 0.028 0.038 {35.HA} 3.681 0.096 0.122 {34.CA} 58.828 1.028 1.249 15.716 4.211 0 0 589 {?} 4.329 0.031 0.024 {?} 2.871 0.185 0.054 {?} 58.614 0.870 0.224 119.629 12.220 0 0 590 {36.HA 36.HA} 3.381 0.053 0.043 {36.HE2 36.HE3} 2.856 0.112 0.088 {36.CA 36.CA} 58.885 1.121 0.898 44.782 7.412 0 0 591 {145.HA 146.HA} 4.171 0.029 0.024 {145.HB3 146.HG2} 2.547 0.114 0.094 {145.CA 146.CA} 58.569 1.096 0.900 700.526 5.852 0 0 592 {34.HA} 4.114 0.030 0.023 {34.HB3} 2.093 0.171 0.122 {34.CA} 58.880 0.767 0.377 3964.477 2.973 0 0 593 {70.HA} 4.244 0.057 0.047 {70.HB3} 1.989 0.082 0.055 {70.CA} 58.714 0.989 0.671 1416.371 4.952 0 0 594 {145.HA} 4.119 0.048 0.142 {145.HG} 1.785 0.097 0.138 {145.CA} 58.844 0.875 2.749 33.643 5.891 0 0 595 {36.HA} 3.383 0.048 0.142 {36.HB2} 1.539 0.097 0.138 {36.CA} 58.969 0.875 2.749 630.818 3.226 0 0 596 {?} 4.113 0.048 0.142 {?} 1.452 0.097 0.138 {?} 58.904 0.875 2.749 1105.179 3.226 0 0 597 {145.HA} 4.170 0.048 0.125 {149.HD11} 1.015 0.084 0.202 {145.CA} 58.508 0.533 1.675 600.670 4.773 0 0 598 {73.HA} 4.327 0.030 0.072 {81.HG} 0.638 0.105 0.150 {73.CA} 58.802 0.998 1.426 214.813 16.291 0 0 599 {?} 4.140 0.043 0.020 {?} 0.589 0.111 0.033 {?} 58.635 0.747 0.224 118.939 10.768 0 0 600 {73.HA 73.HA} 4.324 0.037 0.033 {76.HD11 76.HD13} -0.433 0.184 0.171 {73.CA 73.CA} 58.775 0.964 0.886 344.083 3.167 0 0 601 {?} 4.166 0.039 0.097 {?} 9.117 0.138 0.197 {?} 58.468 0.858 2.010 10.254 28.401 0 0 602 {?} 3.978 0.039 0.097 {?} 8.896 0.138 0.197 {?} 58.300 0.858 2.010 252.708 28.401 0 0 603 {?} 3.962 0.024 0.022 {?} 8.733 0.133 0.122 {?} 58.228 0.912 0.831 42.290 22.181 0 0 604 {?} 3.159 0.040 0.109 {?} 8.721 0.152 0.216 {?} 58.453 1.439 2.056 226.685 9.720 0 0 605 {146.HA} 4.131 0.026 0.013 {147.H} 8.516 0.113 0.037 {146.CA} 58.395 0.574 0.189 337.110 23.462 0 0 606 {?} 4.057 0.050 0.066 {?} 7.814 0.117 0.190 {?} 58.261 1.015 1.351 408.370 4.389 0 0 607 {132.HA} 3.549 0.037 0.037 {134.H} 7.744 0.107 0.107 {132.CA} 58.233 0.812 0.810 170.270 10.289 0 0 608 {11.HD1} 6.571 0.050 0.111 {11.HD2} 7.387 0.066 0.273 {11.CD1} 58.408 0.747 1.455 205.193 7.291 0 0 609 {?} 4.170 0.050 0.111 {?} 7.360 0.066 0.273 {?} 58.474 0.747 1.455 376.705 7.291 0 0 610 {?} 3.981 0.050 0.111 {?} 7.146 0.066 0.273 {?} 58.126 0.747 1.455 171.198 7.291 0 0 611 {?} 3.558 0.042 0.073 {?} 7.133 0.113 0.239 {?} 58.187 1.009 1.675 116.993 2.444 0 0 612 {?} 4.173 0.042 0.073 {?} 7.042 0.113 0.239 {?} 58.428 1.009 1.675 150.117 2.444 0 0 613 {?} 3.976 0.042 0.073 {?} 6.771 0.113 0.239 {?} 58.248 1.009 1.675 484.413 2.444 0 0 614 {11.HD1} 6.569 0.032 0.009 {11.HD1} 6.587 0.093 0.015 {11.CD1} 58.409 0.364 0.059 442.521 1.485 0 0 615 {?} 4.055 0.044 0.085 {?} 6.576 0.133 0.264 {?} 58.156 0.787 1.738 433.975 5.197 0 0 616 {?} 3.976 0.047 0.111 {?} 6.584 0.083 0.210 {?} 58.236 0.939 1.751 301.165 3.066 0 0 617 {?} 6.569 0.056 0.076 {?} 6.263 0.189 0.232 {?} 58.393 0.950 1.549 133.576 2.329 0 0 618 {?} 3.977 0.056 0.076 {?} 6.261 0.189 0.232 {?} 58.257 0.950 1.549 93.849 2.363 0 0 619 {?} 4.499 0.056 0.076 {?} 5.066 0.189 0.232 {?} 58.327 0.950 1.549 33.588 4.972 0 0 620 {?} 4.492 0.045 0.097 {?} 4.829 0.094 0.187 {?} 58.422 0.865 1.990 5.726 6.902 0 0 621 {?} 4.551 0.039 0.043 {?} 4.574 0.103 0.120 {?} 58.170 1.102 1.302 687.879 6.069 0 0 622 {?} 4.495 0.038 0.053 {?} 4.509 0.085 0.110 {?} 58.439 1.191 1.470 9550.108 2.665 0 0 623 {80.HA} 3.163 0.037 0.071 {81.HA} 4.351 0.129 0.274 {80.CA} 58.361 1.150 1.949 43.473 18.380 0 0 624 {?} 4.495 0.035 0.060 {?} 3.878 0.135 0.274 {?} 58.483 0.547 1.891 558.806 3.623 0 0 625 {11.HD1} 6.573 0.042 0.078 {11.HB2} 3.815 0.080 0.122 {11.CD1} 58.327 0.922 1.516 376.902 1.624 -1 0 626 {11.HD1} 6.567 0.042 0.078 {11.HB3} 3.478 0.080 0.122 {11.CD1} 58.448 0.922 1.516 202.683 2.825 0 0 627 {146.HA 145.HA} 4.130 0.026 0.027 {146.HD3 148.HB3} 3.314 0.183 0.185 {146.CA 145.CA} 58.359 0.956 0.971 361.213 5.311 0 0 628 {8.HA} 3.974 0.034 0.049 {8.HB2} 3.307 0.109 0.176 {8.CA} 58.211 0.995 1.457 67.562 2.463 0 0 629 {80.HA} 3.165 0.033 0.052 {80.HA} 3.180 0.096 0.165 {80.CA} 58.405 1.070 1.588 307.115 3.383 0 0 630 {8.HA} 3.976 0.034 0.037 {8.HB3} 3.028 0.193 0.206 {8.CA} 58.197 1.276 1.379 209.202 3.026 0 0 631 {11.HD1} 6.578 0.035 0.052 {18.HB2} 2.649 0.111 0.160 {11.CD1} 58.248 0.782 1.119 34.817 2.335 0 0 632 {7.HA} 3.547 0.038 0.078 {6.HB2} 2.596 0.038 0.301 {7.CA} 58.100 0.689 2.164 32.570 1.799 0 0 633 {132.HA} 3.546 0.037 0.071 {132.HB2} 2.278 0.172 0.246 {132.CA} 58.116 1.035 2.089 255.103 2.847 0 0 634 {?} 2.216 0.017 0.018 {?} 2.228 0.042 0.045 {?} 58.146 0.644 0.692 212.925 173.136 0 0 635 {90.HA} 4.060 0.017 0.018 {90.HB2} 1.873 0.042 0.045 {90.CA} 58.264 0.644 0.692 1462.296 173.136 0 0 636 {90.HA} 4.057 0.017 0.018 {90.HB3} 1.709 0.042 0.045 {90.CA} 58.333 0.644 0.692 593.072 173.136 0 0 637 {7.HA 132.HA} 3.561 0.017 0.018 {2.HD3 133.HD2} 1.488 0.042 0.045 {7.CA 132.CA} 58.125 0.644 0.692 133.272 173.136 0 0 638 {80.HA} 3.162 0.039 0.083 {80.HB3} 1.442 0.080 0.204 {80.CA} 58.372 0.592 2.379 503.511 1.846 0 0 639 {146.HA} 4.167 0.037 0.084 {145.HD12} 1.227 0.086 0.216 {146.CA} 58.375 0.941 1.948 687.536 4.357 0 0 640 {132.HA} 3.549 0.040 0.095 {96.HG23} 1.187 0.109 0.217 {132.CA} 58.119 1.513 2.145 83.699 35.888 0 0 641 {11.HD1 11.HD1 11.HD1} 6.573 0.040 0.095 {16.HG11 16.HG12 16.HG13} 1.079 0.109 0.217 {11.CD1 11.CD1 11.CD1} 58.426 1.513 2.145 260.540 2.620 0 0 642 {?} 3.166 0.038 0.107 {?} 0.986 0.157 0.225 {?} 58.414 1.041 2.113 88.773 4.194 0 0 643 {7.HA} 3.553 0.037 0.046 {7.HB3} 0.895 0.208 0.264 {7.CA} 58.134 0.721 1.887 274.483 6.101 0 0 644 {?} 4.058 0.042 0.088 {?} 0.734 0.127 0.210 {?} 58.186 1.365 1.914 1097.649 22.252 0 0 645 {80.HA} 3.171 0.042 0.088 {81.HG} 0.663 0.127 0.210 {80.CA} 58.469 1.365 1.914 69.321 1.642 0 0 646 {132.HA 132.HA 132.HA} 3.556 0.042 0.088 {132.HD11 132.HD12 132.HD13} 0.623 0.127 0.210 {132.CA 132.CA 132.CA} 58.172 1.365 1.914 314.538 26.466 0 0 647 {90.HA} 4.051 0.050 0.085 {95.HG21} 0.536 0.117 0.206 {90.CA} 58.171 1.000 1.800 141.599 2.865 0 0 648 {80.HA 80.HA 80.HA} 3.158 0.026 0.021 {81.HD21 81.HD22 81.HD23} 0.399 0.166 0.133 {80.CA 80.CA 80.CA} 58.479 1.059 0.850 60.877 42.953 0 0 649 {11.HD1 11.HD1 11.HD1} 6.567 0.026 0.021 {16.HG21 16.HG22 16.HG23} 0.258 0.166 0.133 {11.CD1 11.CD1 11.CD1} 58.431 1.059 0.850 189.915 42.953 0 0 650 {?} 4.174 0.011 0.002 {?} 10.385 0.084 0.002 {?} 57.461 1.116 0.032 243.087 11.948 0 0 651 {?} 4.169 0.047 0.065 {?} 9.947 0.066 0.201 {?} 57.489 1.082 1.679 110.714 5.144 0 0 652 {?} 3.648 0.042 0.043 {?} 8.342 0.086 0.089 {?} 57.738 0.709 0.741 132.502 29.093 0 0 653 {?} 3.585 0.042 0.043 {?} 8.055 0.086 0.089 {?} 57.693 0.709 0.741 199.369 29.093 0 0 654 {?} 4.322 0.043 0.035 {?} 8.017 0.077 0.059 {?} 57.730 0.723 0.551 106.830 5.146 0 0 655 {?} 3.642 0.043 0.035 {?} 8.036 0.077 0.059 {?} 57.721 0.723 0.551 146.071 5.146 0 0 656 {8.HA} 3.985 0.044 0.038 {9.H} 7.907 0.077 0.059 {8.CA} 57.748 1.168 0.889 180.466 6.497 0 0 657 {?} 4.321 0.046 0.062 {?} 7.685 0.133 0.187 {?} 57.734 1.234 1.663 323.184 7.531 0 0 658 {105.HA} 3.981 0.036 0.059 {105.H} 7.559 0.184 0.282 {105.CA} 57.639 0.916 1.818 312.034 10.201 0 0 659 {161.HE1} 7.040 0.051 0.074 {161.HD1} 7.476 0.173 0.236 {161.CE1} 57.633 1.052 1.576 169.036 15.950 0 0 660 {?} 3.827 0.026 0.024 {?} 7.459 0.065 0.059 {?} 57.625 0.874 0.788 112.340 6.931 0 0 661 {?} 4.279 0.026 0.024 {?} 7.433 0.065 0.059 {?} 57.724 0.874 0.788 215.088 6.931 0 0 662 {?} 7.355 0.026 0.024 {?} 7.363 0.065 0.059 {?} 57.799 0.874 0.788 173.815 6.931 0 0 663 {?} 3.979 0.041 0.081 {?} 7.375 0.119 0.271 {?} 57.688 0.935 2.235 93.654 2.849 0 0 664 {149.HA} 3.652 0.034 0.041 {148.HD1} 7.347 0.037 0.098 {149.CA} 57.897 1.080 1.304 41.568 3.731 0 0 665 {149.HA} 3.581 0.016 0.003 {148.HD1} 7.352 0.100 0.021 {149.CA} 57.740 0.695 0.146 94.566 7.301 0 0 666 {?} 4.291 0.043 0.040 {?} 7.131 0.103 0.221 {?} 57.792 1.104 1.064 64.992 8.685 0 0 667 {?} 3.821 0.038 0.055 {?} 7.125 0.153 0.301 {?} 57.644 1.040 1.560 38.283 3.634 0 0 668 {?} 3.645 0.032 0.029 {?} 7.151 0.071 0.149 {?} 57.817 1.117 0.987 127.844 2.977 0 0 669 {?} 6.871 0.049 0.053 {?} 7.082 0.119 0.136 {?} 57.632 1.093 1.236 142.555 135.812 0 0 670 {115.HZ 161.HE1} 7.036 0.049 0.053 {115.HZ 161.HE1} 7.042 0.119 0.136 {115.CZ 161.CE1} 57.503 1.093 1.236 162.379 135.812 0 0 671 {?} 6.867 0.045 0.047 {?} 6.869 0.119 0.124 {?} 57.651 0.905 0.935 209.461 106.878 0 0 672 {?} 4.275 0.039 0.029 {?} 6.641 0.120 0.090 {?} 57.686 0.699 0.522 43.298 2.570 0 0 673 {?} 4.279 0.025 0.014 {?} 6.348 0.066 0.025 {?} 57.534 0.833 0.311 116.015 3.385 0 0 674 {?} 3.579 0.062 0.061 {?} 4.399 0.139 0.133 {?} 57.739 1.318 1.278 312.036 4.093 0 0 675 {112.HA} 4.176 0.051 0.159 {112.HA} 4.184 0.103 0.147 {112.CA} 57.744 1.562 2.232 4557.263 2.227 0 0 676 {31.HA 64.HA 74.HA 74.HA} 4.314 0.051 0.159 {32.HA2 63.HA3 77.HA2 77.HA3} 4.018 0.103 0.147 {31.CA 64.CA 74.CA 74.CA} 57.478 1.562 2.232 7.434 2.227 0 0 677 {8.HA 33.HA 105.HA} 3.991 0.051 0.159 {8.HA 33.HA 105.HA} 4.007 0.103 0.147 {8.CA 33.CA 105.CA} 57.778 1.562 2.232 151.467 5.429 0 0 678 {149.HA} 3.643 0.051 0.159 {154.HA} 4.017 0.103 0.147 {149.CA} 57.616 1.562 2.232 23.958 5.429 0 0 679 {69.HA} 3.825 0.051 0.159 {69.HA} 3.844 0.103 0.147 {69.CA} 57.708 1.562 2.232 170.091 52.669 0 0 680 {149.HA} 3.646 0.051 0.159 {149.HA} 3.657 0.103 0.147 {149.CA} 57.765 1.562 2.232 686.658 24.588 0 0 681 {7.HA 132.HA} 3.581 0.023 0.012 {7.HA 132.HA} 3.589 0.059 0.024 {7.CA 132.CA} 57.750 1.034 0.428 891.499 6.554 0 0 682 {112.HA} 4.174 0.039 0.051 {112.HD2} 3.210 0.121 0.162 {112.CA} 57.472 0.807 1.071 294.464 16.993 0 0 683 {?} 3.576 0.047 0.154 {?} 3.185 0.088 0.126 {?} 57.658 1.701 2.430 71.608 28.321 0 0 684 {74.HA} 4.278 0.040 0.036 {74.HB2} 3.085 0.091 0.080 {74.CA} 57.675 0.913 0.806 828.802 25.858 0 0 685 {74.HA} 4.280 0.035 0.050 {74.HB3} 2.862 0.143 0.183 {74.CA} 57.714 0.888 1.169 578.640 9.239 0 0 686 {105.HA} 3.988 0.047 0.067 {108.HB2} 2.867 0.108 0.280 {105.CA} 57.728 1.042 1.625 351.691 2.852 0 0 687 {105.HA} 3.980 0.046 0.126 {108.HB3} 2.524 0.111 0.233 {105.CA} 57.678 1.119 2.105 84.590 5.251 0 0 688 {31.HA 31.HA} 4.319 0.046 0.126 {31.HG2 31.HG3} 2.468 0.111 0.233 {31.CA 31.CA} 57.739 1.119 2.105 1404.561 5.251 0 0 689 {149.HA} 3.644 0.020 0.005 {149.HG} 2.322 0.112 0.024 {149.CA} 57.746 0.776 0.169 114.012 5.042 0 0 690 {31.HA} 4.319 0.018 0.085 {31.HB3} 2.289 0.211 0.301 {31.CA} 57.679 1.568 2.240 1643.566 3.660 0 0 691 {105.HA} 3.987 0.029 0.028 {113.HB} 2.089 0.142 0.139 {105.CA} 57.585 0.937 0.917 3.342 2.251 0 0 692 {?} 3.830 0.037 0.052 {?} 2.071 0.077 0.241 {?} 57.500 1.149 1.642 3.001 7.067 0 0 693 {149.HA} 3.644 0.042 0.082 {149.HB2} 2.035 0.115 0.165 {149.CA} 57.707 1.078 1.890 8.294 6.728 0 0 694 {112.HA} 4.172 0.039 0.050 {112.HB2} 1.999 0.094 0.166 {112.CA} 57.483 0.820 1.174 1344.799 12.524 0 0 695 {149.HA 149.HA} 3.648 0.045 0.108 {149.HB3 154.HB} 1.861 0.112 0.225 {149.CA 149.CA} 57.759 0.878 2.135 145.675 4.890 0 0 696 {33.HA} 3.991 0.045 0.108 {33.HB3} 1.827 0.112 0.225 {33.CA} 57.737 0.878 2.135 609.766 3.289 0 0 697 {112.HA} 4.173 0.045 0.108 {112.HB3} 1.722 0.112 0.225 {112.CA} 57.430 0.878 2.135 1622.771 3.695 0 0 698 {7.HA 132.HA} 3.585 0.045 0.108 {7.HB2 132.HB3} 1.661 0.112 0.225 {7.CA 132.CA} 57.810 0.878 2.135 307.394 4.019 0 0 699 {33.HA 33.HA 105.HA 105.HA} 3.989 0.039 0.054 {36.HB2 36.HD3 105.HB2 105.HG} 1.532 0.155 0.249 {33.CA 33.CA 105.CA 105.CA} 57.700 1.022 1.575 515.804 2.793 0 0 700 {149.HA} 3.647 0.037 0.052 {152.HB2} 1.568 0.131 0.217 {149.CA} 57.729 1.529 2.143 214.451 2.331 0 0 701 {149.HA} 3.645 0.047 0.067 {152.HG} 1.290 0.123 0.205 {149.CA} 57.742 1.120 1.842 94.535 10.867 0 0 702 {161.HE1 161.HE1} 7.036 0.044 0.084 {61.HB1 61.HB3} 1.227 0.146 0.273 {161.CE1 161.CE1} 57.547 1.072 1.828 51.179 10.797 0 0 703 {33.HA} 3.989 0.046 0.119 {36.HG3} 1.180 0.157 0.259 {33.CA} 57.756 0.903 2.100 206.303 8.663 0 0 704 {?} 3.648 0.039 0.054 {?} 1.053 0.157 0.256 {?} 57.720 1.139 1.745 285.353 6.881 0 0 705 {?} 6.869 0.038 0.037 {?} 0.937 0.094 0.091 {?} 57.637 0.997 0.970 229.344 6.354 0 0 706 {31.HA} 4.318 0.043 0.052 {33.HD11} 0.964 0.096 0.116 {31.CA} 57.645 0.791 0.961 77.644 3.114 0 0 707 {161.HE1} 7.030 0.038 0.078 {67.HG12} 0.917 0.154 0.292 {161.CE1} 57.553 0.879 1.764 259.415 2.394 0 0 708 {149.HA 149.HA} 3.702 0.038 0.078 {154.HG21 154.HG23} 0.915 0.154 0.292 {149.CA 149.CA} 57.785 0.879 1.764 61.519 3.847 0 0 709 {149.HA} 3.647 0.037 0.052 {154.HG23} 0.899 0.126 0.181 {149.CA} 57.782 0.926 1.730 389.692 20.857 0 0 710 {?} 3.987 0.040 0.055 {?} 0.862 0.121 0.145 {?} 57.698 1.059 1.304 2583.873 481.196 0 0 711 {?} 6.875 0.034 0.034 {?} 0.812 0.094 0.096 {?} 57.678 0.945 0.961 248.963 2.184 0 0 712 {?} 3.649 0.056 0.160 {?} 0.600 0.117 0.202 {?} 57.783 1.049 1.499 502.667 26.694 0 0 713 {115.HZ} 7.040 0.056 0.160 {149.HD21} 0.574 0.117 0.202 {115.CZ} 57.531 1.049 1.499 49.352 3.581 0 0 714 {?} 3.827 0.056 0.160 {?} 0.586 0.117 0.202 {?} 57.625 1.049 1.499 328.502 2.295 0 0 715 {?} 6.870 0.032 0.067 {?} 0.539 0.074 0.195 {?} 57.685 1.155 1.650 133.692 5.771 0 0 716 {105.HA 105.HA 105.HA} 3.976 0.032 0.067 {105.HD11 105.HD12 105.HD13} 0.292 0.074 0.195 {105.CA 105.CA 105.CA} 57.734 1.155 1.650 291.139 5.771 0 0 717 {?} 3.583 0.022 0.020 {?} 0.312 0.083 0.071 {?} 57.703 0.500 0.431 781.233 7.805 0 0 718 {?} 3.582 0.030 0.037 {?} -0.002 0.090 0.103 {?} 57.647 1.357 1.496 28.229 11.266 0 0 719 {105.HA 105.HA 105.HA} 3.975 0.035 0.049 {152.HD11 152.HD12 152.HD13} -0.092 0.118 0.151 {105.CA 105.CA 105.CA} 57.723 0.885 1.138 74.228 6.632 0 0 720 {149.HA 149.HA} 3.650 0.042 0.028 {152.HD11 152.HD13} -0.106 0.095 0.065 {149.CA 149.CA} 57.757 1.163 0.797 177.916 1.989 0 0 721 {?} 4.383 0.018 0.054 {?} 9.151 0.147 0.206 {?} 56.908 1.005 1.641 45.020 1.615 0 0 722 {6.HA} 4.378 0.045 0.145 {10.H} 8.028 0.135 0.254 {6.CA} 57.040 1.108 2.265 475.591 3.697 0 0 723 {?} 4.255 0.045 0.145 {?} 7.740 0.135 0.254 {?} 57.211 1.108 2.265 150.679 2.015 0 0 724 {?} 4.379 0.045 0.145 {?} 7.508 0.135 0.254 {?} 56.995 1.108 2.265 169.720 10.366 0 0 725 {?} 3.905 0.035 0.087 {?} 7.449 0.109 0.181 {?} 57.178 0.656 2.063 199.717 10.492 0 0 726 {?} 5.491 0.058 0.082 {?} 7.189 0.126 0.181 {?} 57.036 1.300 1.786 251.622 7.136 0 0 727 {?} 3.904 0.058 0.082 {?} 7.123 0.126 0.181 {?} 57.132 1.300 1.786 209.204 7.136 0 0 728 {11.HA} 4.499 0.043 0.087 {11.HD1} 6.584 0.169 0.327 {11.CA} 57.307 0.792 1.802 96.862 10.076 0 0 729 {?} 4.506 0.039 0.088 {?} 6.261 0.135 0.240 {?} 57.352 0.990 2.141 137.734 8.614 0 0 730 {48.HA} 5.491 0.043 0.098 {58.HA} 5.740 0.136 0.195 {48.CA} 57.021 0.748 1.777 146.346 3.503 0 0 731 {48.HA} 5.488 0.041 0.074 {48.HA} 5.498 0.160 0.317 {48.CA} 57.054 0.956 1.623 457.761 3.323 0 0 732 {?} 5.486 0.041 0.074 {?} 5.199 0.160 0.317 {?} 57.250 0.956 1.623 15.979 3.323 0 0 733 {12.HA 88.HA 99.HA} 4.602 0.041 0.074 {12.HA 88.HA 99.HA} 4.620 0.160 0.317 {12.CA 88.CA 99.CA} 57.115 0.956 1.623 2316.475 3.323 0 0 734 {?} 2.988 0.057 0.057 {?} 4.400 0.117 0.114 {?} 57.069 0.744 0.724 230.111 3.489 0 0 735 {64.HA 74.HA} 4.248 0.032 0.052 {64.HA 74.HA} 4.260 0.119 0.223 {64.CA 74.CA} 57.309 1.061 1.540 14451.343 8.684 0 0 736 {?} 3.886 0.041 0.071 {?} 3.903 0.131 0.194 {?} 56.903 0.754 1.084 5490.671 29.389 0 0 737 {11.HA} 4.494 0.042 0.055 {11.HB3} 3.479 0.160 0.182 {11.CA} 57.243 0.955 1.146 37.214 2.704 0 0 738 {?} 4.257 0.038 0.029 {?} 3.467 0.053 0.082 {?} 57.071 0.990 0.693 58.122 11.315 0 0 739 {48.HA} 5.488 0.038 0.029 {48.HB2} 3.353 0.053 0.082 {48.CA} 57.022 0.990 0.693 196.398 11.315 0 0 740 {6.HA} 4.379 0.038 0.029 {6.HB3} 2.989 0.053 0.082 {6.CA} 56.999 0.990 0.693 474.253 11.315 0 0 741 {?} 2.956 0.045 0.075 {?} 2.972 0.101 0.174 {?} 57.152 0.742 1.195 75.505 3.834 0 0 742 {12.HA} 4.613 0.046 0.069 {12.HB2} 2.877 0.181 0.285 {12.CA} 57.368 0.918 1.751 439.471 2.143 0 0 743 {6.HA} 4.378 0.046 0.069 {6.HB2} 2.611 0.181 0.285 {6.CA} 57.019 0.918 1.751 829.920 2.143 0 0 744 {64.HA} 4.254 0.046 0.069 {64.HG2} 2.173 0.181 0.285 {64.CA} 57.208 0.918 1.751 2516.865 2.143 0 0 745 {?} 3.902 0.042 0.077 {?} 2.092 0.093 0.200 {?} 57.155 1.331 2.185 200.833 4.154 0 0 746 {6.HA} 4.379 0.042 0.077 {9.HB1} 1.633 0.093 0.200 {6.CA} 57.013 1.331 2.185 629.263 4.154 0 0 747 {?} 3.900 0.042 0.077 {?} 1.611 0.093 0.200 {?} 57.220 1.331 2.185 252.577 4.154 0 0 748 {48.HA 48.HA} 5.482 0.035 0.054 {47.HB2 49.HG} 1.490 0.127 0.179 {48.CA 48.CA} 57.118 1.166 1.596 29.441 8.528 0 0 749 {?} 5.485 0.034 0.037 {?} 1.232 0.075 0.180 {?} 56.995 1.059 1.176 133.917 4.689 0 0 750 {11.HA 11.HA} 4.504 0.012 0.030 {16.HG11 16.HG12} 1.088 0.155 0.182 {11.CA 11.CA} 57.235 0.634 0.780 655.345 7.070 0 0 751 {?} 5.490 0.012 0.030 {?} 0.926 0.155 0.182 {?} 57.078 0.634 0.780 854.000 8.720 0 0 752 {?} 3.901 0.035 0.050 {?} 0.921 0.145 0.174 {?} 57.208 1.060 1.371 1350.378 3.340 0 0 753 {?} 5.496 0.051 0.048 {?} 0.469 0.130 0.119 {?} 57.107 1.189 1.139 268.572 4.074 0 0 754 {11.HA} 4.503 0.035 0.027 {16.HG22} 0.240 0.147 0.110 {11.CA} 57.211 1.292 1.845 201.206 7.381 0 0 755 {?} 4.101 0.051 0.114 {?} 9.945 0.129 0.265 {?} 56.315 1.174 1.956 107.947 6.986 0 0 756 {?} 4.500 0.042 0.089 {?} 8.958 0.120 0.233 {?} 56.622 0.916 1.888 145.268 8.039 0 0 757 {?} 4.215 0.047 0.087 {?} 8.636 0.088 0.172 {?} 56.592 1.067 1.888 348.837 3.689 0 0 758 {?} 4.103 0.046 0.085 {?} 7.961 0.117 0.181 {?} 56.353 1.231 1.847 381.157 3.837 0 0 759 {?} 4.211 0.044 0.070 {?} 7.509 0.120 0.185 {?} 56.480 0.888 1.509 85.323 7.363 0 0 760 {?} 4.207 0.037 0.040 {?} 7.266 0.147 0.155 {?} 56.512 1.321 1.384 54.764 4.979 0 0 761 {?} 4.204 0.026 0.022 {?} 5.012 0.031 0.024 {?} 56.531 0.958 0.744 79.225 6.188 0 0 762 {6.HA} 4.338 0.022 0.026 {6.HA} 4.348 0.038 0.047 {6.CA} 56.624 0.923 1.144 9016.446 2.633 0 0 763 {?} 3.771 0.037 0.052 {?} 4.351 0.079 0.168 {?} 56.464 1.265 2.190 267.856 2.760 0 0 764 {?} 4.584 0.022 0.065 {?} 4.006 0.098 0.210 {?} 56.672 0.836 1.194 442.978 1.772 0 0 765 {99.HA} 4.591 0.042 0.032 {99.HB3} 3.793 0.100 0.066 {99.CA} 56.693 1.064 0.702 305.517 2.231 0 0 766 {?} 3.770 0.019 0.035 {?} 3.786 0.073 0.173 {?} 56.479 0.643 1.235 3051.905 4.269 0 0 767 {?} 1.715 0.042 0.064 {?} 3.777 0.099 0.117 {?} 56.434 1.576 1.897 3.106 4.760 0 0 768 {?} 4.212 0.043 0.034 {?} 3.675 0.089 0.166 {?} 56.538 0.935 0.739 3.119 8.152 0 0 769 {?} 4.113 0.043 0.034 {?} 3.030 0.089 0.166 {?} 56.454 0.935 0.739 3.141 8.152 0 0 770 {?} 4.093 0.051 0.069 {?} 3.041 0.124 0.177 {?} 56.352 0.912 1.482 121.850 6.374 0 0 771 {2.HA} 4.501 0.050 0.087 {6.HB2} 2.612 0.162 0.242 {2.CA} 56.313 1.225 1.917 62.433 3.172 0 0 772 {121.HA} 4.209 0.044 0.101 {121.HB2} 2.360 0.088 0.189 {121.CA} 56.580 0.865 1.904 770.316 3.575 0 0 773 {111.HA} 4.104 0.054 0.087 {111.HB2} 2.042 0.130 0.214 {111.CA} 56.336 1.275 1.887 469.232 2.770 0 0 774 {111.HA} 4.104 0.054 0.087 {111.HB3} 1.817 0.130 0.214 {111.CA} 56.344 1.275 1.887 624.610 97.480 0 0 775 {111.HA} 4.098 0.027 0.016 {111.HG2} 1.461 0.128 0.070 {111.CA} 56.437 1.414 0.837 779.011 4.024 0 0 776 {?} 4.210 0.027 0.016 {?} 0.891 0.128 0.070 {?} 56.525 1.414 0.837 1656.199 4.024 0 0 777 {121.HA 121.HA} 4.211 0.027 0.016 {44.HG21 44.HG22} 0.624 0.128 0.070 {121.CA 121.CA} 56.390 1.414 0.837 32.590 4.024 0 0 778 {?} 5.377 0.027 0.016 {?} 10.676 0.128 0.070 {?} 56.079 1.414 0.837 215.942 4.024 0 0 779 {?} 4.103 0.019 0.004 {?} 10.385 0.128 0.024 {?} 56.222 0.839 0.158 103.598 76.470 0 0 780 {?} 5.363 0.019 0.004 {?} 9.340 0.128 0.024 {?} 56.092 0.839 0.158 346.673 76.470 0 0 781 {115.HA} 5.926 0.019 0.004 {58.H} 9.263 0.128 0.024 {115.CA} 56.064 0.839 0.158 438.107 76.470 0 0 782 {?} 4.494 0.045 0.053 {?} 9.150 0.100 0.121 {?} 56.219 0.808 0.977 196.626 1.994 0 0 783 {?} 5.365 0.014 0.008 {?} 9.041 0.081 0.045 {?} 56.013 0.329 0.180 75.401 33.782 0 0 784 {?} 5.923 0.043 0.082 {?} 8.880 0.052 0.274 {?} 56.060 1.326 2.060 116.732 18.392 0 0 785 {53.HA} 4.499 0.038 0.084 {55.H} 8.286 0.126 0.181 {53.CA} 55.847 0.889 1.603 151.520 17.995 0 0 786 {?} 7.851 0.038 0.084 {?} 7.864 0.126 0.181 {?} 56.022 0.889 1.603 88.443 17.995 0 0 787 {?} 5.367 0.051 0.075 {?} 7.755 0.121 0.240 {?} 56.209 0.833 1.356 196.221 6.668 0 0 788 {?} 5.924 0.042 0.081 {?} 7.562 0.126 0.181 {?} 56.062 0.854 1.740 33.210 2.374 0 0 789 {?} 4.602 0.045 0.083 {?} 7.491 0.062 0.226 {?} 55.913 1.671 2.387 96.170 23.391 0 0 790 {?} 5.367 0.045 0.083 {?} 7.297 0.062 0.226 {?} 56.104 1.671 2.387 130.422 17.625 0 0 791 {?} 5.925 0.045 0.083 {?} 7.172 0.062 0.226 {?} 56.057 1.671 2.387 304.781 5.908 0 0 792 {?} 4.595 0.045 0.083 {?} 7.173 0.062 0.226 {?} 55.974 1.671 2.387 89.823 3.743 0 0 793 {110.HA} 4.440 0.045 0.083 {112.HE} 7.148 0.062 0.226 {110.CA} 55.928 1.671 2.387 89.615 27.865 0 0 794 {?} 6.757 0.045 0.083 {?} 6.765 0.062 0.226 {?} 56.187 1.671 2.387 193.550 27.865 0 0 795 {115.HA} 5.926 0.031 0.035 {115.HA} 5.936 0.081 0.095 {115.CA} 56.079 0.807 0.940 287.156 5.126 0 0 796 {57.HA} 5.364 0.065 0.079 {57.HA} 5.379 0.107 0.120 {57.CA} 56.117 0.899 1.007 87.575 40.619 0 0 797 {103.HA} 4.716 0.042 0.045 {103.HA} 4.733 0.099 0.115 {103.CA} 56.173 0.657 0.763 182.720 2.639 0 0 798 {14.HA 129.HA} 4.661 0.044 0.088 {14.HA 129.HA} 4.689 0.108 0.182 {14.CA 129.CA} 56.200 0.969 1.706 837.353 1.891 0 0 799 {2.HA 53.HA} 4.496 0.044 0.130 {2.HA 53.HA} 4.507 0.114 0.239 {2.CA 53.CA} 55.781 1.226 1.752 672.413 5.327 0 0 800 {111.HA} 4.103 0.044 0.130 {111.HA} 4.119 0.114 0.239 {111.CA} 56.233 1.226 1.752 2995.048 14.107 0 0 801 {115.HA} 5.929 0.028 0.027 {115.HB2} 3.028 0.075 0.071 {115.CA} 56.120 0.669 0.638 262.012 9.848 0 0 802 {57.HA} 5.364 0.028 0.027 {57.HB2} 2.996 0.075 0.071 {57.CA} 56.081 0.669 0.638 187.294 9.848 0 0 803 {2.HA 133.HA} 4.499 0.053 0.100 {6.HB3 133.HE3} 2.996 0.166 0.301 {2.CA 133.CA} 56.178 1.127 1.982 78.700 16.052 0 0 804 {115.HA} 5.928 0.053 0.100 {115.HB3} 2.879 0.166 0.301 {115.CA} 56.094 1.127 1.982 257.358 29.414 0 0 805 {57.HA} 5.363 0.037 0.060 {57.HB3} 2.668 0.126 0.176 {57.CA} 56.159 1.129 1.393 139.654 7.153 0 0 806 {?} 6.754 0.037 0.060 {?} 2.607 0.126 0.176 {?} 55.971 1.129 1.393 68.165 7.153 0 0 807 {115.HA} 5.919 0.037 0.028 {58.HB2} 2.163 0.096 0.063 {115.CA} 56.069 0.973 0.633 88.541 37.449 0 0 808 {53.HA} 4.499 0.037 0.028 {53.HB2} 2.152 0.096 0.063 {53.CA} 55.848 0.973 0.633 300.624 37.449 0 0 809 {57.HA} 5.364 0.037 0.028 {56.HB3} 2.125 0.096 0.063 {57.CA} 56.105 0.973 0.633 58.528 37.449 0 0 810 {115.HA} 5.926 0.037 0.028 {58.HG} 1.827 0.096 0.063 {115.CA} 56.081 0.973 0.633 143.641 37.449 0 0 811 {57.HA} 5.358 0.049 0.061 {58.HG} 1.819 0.140 0.189 {57.CA} 56.277 0.861 1.115 256.609 5.861 0 0 812 {19.HA 19.HA} 4.597 0.038 0.066 {19.HB2 19.HB3} 1.815 0.082 0.161 {19.CA 19.CA} 55.903 0.862 1.734 269.735 2.669 0 0 813 {2.HA 53.HA 133.HA} 4.496 0.031 0.041 {2.HB2 53.HD2 133.HD3} 1.722 0.087 0.120 {2.CA 53.CA 133.CA} 56.027 0.880 1.216 81.153 2.484 0 0 814 {?} 4.590 0.031 0.041 {?} 1.566 0.087 0.120 {?} 56.067 0.880 1.216 1465.753 2.484 0 0 815 {?} 5.368 0.048 0.093 {?} 1.475 0.137 0.207 {?} 55.890 1.014 1.724 745.807 4.729 0 0 816 {115.HA} 5.925 0.052 0.099 {58.HB3} 1.459 0.097 0.189 {115.CA} 56.009 1.148 1.841 356.413 7.707 0 0 817 {2.HA 2.HA 133.HA} 4.497 0.053 0.058 {2.HG2 2.HD2 133.HD2} 1.472 0.148 0.160 {2.CA 2.CA 133.CA} 56.015 0.846 0.951 255.215 4.962 0 0 818 {?} 4.593 0.037 0.052 {?} 1.394 0.119 0.170 {?} 55.824 0.968 1.255 1009.636 7.744 0 0 819 {?} 5.929 0.049 0.084 {?} 1.258 0.154 0.222 {?} 56.129 1.104 1.895 266.645 4.670 0 0 820 {57.HA} 5.359 0.049 0.084 {114.HB2} 1.273 0.154 0.222 {57.CA} 56.131 1.104 1.895 275.554 1.474 0 0 821 {?} 5.926 0.049 0.084 {?} 0.915 0.154 0.222 {?} 56.107 1.104 1.895 165.764 1.474 0 0 822 {57.HA} 5.364 0.040 0.064 {58.HD12} 0.862 0.112 0.181 {57.CA} 56.116 0.999 1.702 522.027 9.307 0 0 823 {57.HA} 5.355 0.046 0.074 {114.HB3} 0.617 0.057 0.217 {57.CA} 56.051 1.096 1.735 331.055 57.001 0 0 824 {115.HA} 5.928 0.044 0.053 {114.HB3} 0.582 0.111 0.137 {115.CA} 56.198 1.031 1.262 86.079 4.915 0 0 825 {?} 6.766 0.042 0.053 {?} 0.408 0.113 0.159 {?} 56.143 1.046 1.328 60.340 14.771 0 0 826 {115.HA 115.HA} 5.927 0.041 0.066 {105.HD12 105.HD13} 0.298 0.081 0.144 {115.CA 115.CA} 56.056 1.006 1.702 61.698 2.068 0 0 827 {?} 4.277 0.010 0.014 {?} 8.884 0.078 0.111 {?} 55.625 0.710 1.003 530.292 24.190 0 0 828 {?} 4.159 0.047 0.067 {?} 8.882 0.050 0.226 {?} 55.324 1.182 1.726 257.689 2.602 0 0 829 {?} 4.357 0.031 0.066 {?} 8.733 0.054 0.116 {?} 55.463 0.794 0.766 334.894 10.596 0 0 830 {?} 4.156 0.031 0.066 {?} 8.520 0.054 0.116 {?} 55.236 0.794 0.766 202.694 10.596 0 0 831 {9.HA} 4.359 0.031 0.066 {10.H} 8.014 0.054 0.116 {9.CA} 55.433 0.794 0.766 595.714 10.596 0 0 832 {?} 4.271 0.020 0.042 {?} 7.751 0.182 0.163 {?} 55.578 0.811 0.762 84.483 23.534 0 0 833 {81.HA} 4.353 0.044 0.024 {51.HA} 5.571 0.085 0.030 {81.CA} 55.644 0.903 0.315 290.553 4.044 0 0 834 {?} 4.380 0.013 0.022 {?} 4.733 0.114 0.078 {?} 55.469 1.208 0.830 21.668 3.514 0 0 835 {1.HA 81.HA 110.HA} 4.392 0.013 0.022 {1.HA 81.HA 110.HA} 4.402 0.114 0.078 {1.CA 81.CA 110.CA} 55.495 1.208 0.830 7509.067 3.514 0 0 836 {?} 1.483 0.013 0.022 {?} 4.162 0.114 0.078 {?} 55.359 1.208 0.830 13.649 3.514 0 0 837 {?} 1.379 0.041 0.058 {?} 4.048 0.116 0.168 {?} 55.351 0.926 1.246 92.764 5.271 0 0 838 {?} 4.361 0.041 0.058 {?} 3.457 0.116 0.168 {?} 55.286 0.926 1.246 37.864 5.271 0 0 839 {?} 4.152 0.041 0.055 {?} 3.350 0.107 0.148 {?} 55.473 1.265 1.677 39.273 2.438 0 0 840 {5.HA} 4.031 0.030 0.048 {8.HB3} 3.030 0.103 0.198 {5.CA} 55.357 0.760 2.390 160.248 9.966 0 0 841 {?} 4.275 0.049 0.070 {?} 2.720 0.112 0.180 {?} 55.509 1.330 1.889 110.374 5.529 0 0 842 {110.HA} 4.402 0.041 0.043 {110.HB3} 2.296 0.085 0.092 {110.CA} 55.592 1.154 1.254 1048.699 7.563 0 0 843 {?} 4.157 0.046 0.050 {?} 2.188 0.114 0.144 {?} 55.251 0.813 0.960 452.050 6.061 0 0 844 {71.HA} 4.595 0.057 0.054 {70.HB3} 1.986 0.080 0.076 {71.CA} 55.513 1.053 0.994 141.692 7.610 0 0 845 {1.HA} 4.385 0.040 0.103 {1.HB2} 1.993 0.103 0.207 {1.CA} 55.458 1.543 2.205 1126.003 3.331 0 0 846 {9.HA 9.HA} 4.365 0.027 0.032 {9.HB2 9.HB3} 1.641 0.076 0.097 {9.CA 9.CA} 55.304 0.388 1.087 1556.443 5.376 0 0 847 {5.HA} 4.029 0.051 0.195 {4.HB2} 1.674 0.095 0.218 {5.CA} 55.263 1.064 1.520 11.694 1.665 0 0 848 {?} 1.482 0.051 0.195 {?} 1.499 0.095 0.218 {?} 55.336 1.064 1.520 178.984 4.006 0 0 849 {1.HA 1.HA 81.HA 81.HA 110.HA 133.HA} 4.383 0.051 0.195 {2.HG2 2.HG3 49.HG 80.HB3 111.HG2 133.HD2} 1.436 0.095 0.218 {1.CA 1.CA 81.CA 81.CA 110.CA 133.CA} 55.520 1.064 1.520 44.517 12.284 0 0 850 {5.HA 5.HA 5.HA} 4.029 0.029 0.021 {5.HB1 5.HB2 5.HB3} 1.392 0.128 0.076 {5.CA 5.CA 5.CA} 55.226 0.982 0.523 559.577 1.716 0 0 851 {?} 1.379 0.068 0.097 {?} 1.387 0.098 0.259 {?} 55.261 1.412 2.016 17.077 37.493 0 0 852 {110.HA} 4.391 0.068 0.097 {111.HG3} 1.277 0.098 0.259 {110.CA} 55.544 1.412 2.016 38.888 37.493 0 0 853 {114.HA} 4.276 0.068 0.097 {114.HB2} 1.267 0.098 0.259 {114.CA} 55.452 1.412 2.016 1302.679 37.493 0 0 854 {164.HA 164.HA} 3.898 0.056 0.097 {163.HB2 163.HB3} 1.276 0.094 0.225 {164.CA 164.CA} 55.299 0.949 2.055 24.697 2.089 0 0 855 {81.HA} 4.365 0.059 0.148 {81.HB3} 1.075 0.124 0.289 {81.CA} 55.617 1.082 2.029 74.641 172.707 0 0 856 {62.HA 62.HA 62.HA 62.HA 62.HA 62.HA 71.HA 71.HA} 4.575 0.059 0.148 {62.HD11 62.HD12 62.HD13 62.HD21 62.HD22 62.HD23 75.HG21 75.HG22} 0.959 0.124 0.289 {62.CA 62.CA 62.CA 62.CA 62.CA 62.CA 71.CA 71.CA} 55.537 1.082 2.029 25.298 172.707 0 0 857 {81.HA} 4.356 0.059 0.148 {81.HG} 0.662 0.124 0.289 {81.CA} 55.672 1.082 2.029 387.428 176.957 0 0 858 {114.HA} 4.278 0.039 0.060 {114.HB3} 0.603 0.125 0.204 {114.CA} 55.558 1.026 1.961 125.212 2.381 0 0 859 {81.HA 81.HA 81.HA} 4.355 0.037 0.030 {81.HD21 81.HD22 81.HD23} 0.407 0.107 0.200 {81.CA 81.CA 81.CA} 55.698 1.066 0.816 287.878 2.315 0 0 860 {164.HA 164.HA 164.HA} 3.898 0.044 0.104 {159.HG11 159.HG12 159.HG13} -0.354 0.119 0.234 {164.CA 164.CA 164.CA} 55.235 1.201 1.854 72.661 4.965 0 0 861 {?} 5.522 0.040 0.080 {?} 9.623 0.129 0.248 {?} 54.897 1.048 2.001 45.527 11.758 0 0 862 {?} 4.610 0.037 0.056 {?} 8.764 0.167 0.227 {?} 54.831 0.998 1.565 197.698 7.184 0 0 863 {?} 4.273 0.037 0.044 {?} 8.407 0.112 0.187 {?} 54.767 0.967 1.166 731.967 10.983 0 0 864 {?} 4.209 0.037 0.089 {?} 8.353 0.196 0.280 {?} 54.991 1.043 2.000 905.461 16.041 0 0 865 {?} 4.231 0.037 0.089 {?} 8.195 0.196 0.280 {?} 54.974 1.043 2.000 1050.415 36.204 0 0 866 {?} 3.897 0.036 0.050 {?} 7.992 0.138 0.186 {?} 55.191 0.991 1.487 430.239 12.885 0 0 867 {?} 4.207 0.039 0.097 {?} 7.961 0.053 0.301 {?} 55.005 1.123 2.084 316.952 24.659 0 0 868 {?} 3.896 0.032 0.030 {?} 7.677 0.080 0.071 {?} 55.168 0.559 0.498 613.269 13.818 0 0 869 {?} 4.027 0.040 0.012 {?} 7.493 0.100 0.045 {?} 55.183 0.477 0.216 144.530 5.514 0 0 870 {?} 4.276 0.040 0.012 {?} 7.417 0.100 0.045 {?} 54.672 0.477 0.216 276.450 5.514 0 0 871 {?} 7.319 0.035 0.053 {?} 7.330 0.048 0.203 {?} 55.011 0.905 1.299 9.626 3.421 0 0 872 {?} 5.522 0.042 0.103 {?} 7.143 0.140 0.292 {?} 55.141 1.015 1.451 139.338 3.430 0 0 873 {?} 4.029 0.042 0.103 {?} 6.764 0.140 0.292 {?} 55.178 1.015 1.451 158.378 3.430 0 0 874 {?} 5.513 0.047 0.093 {?} 5.512 0.100 0.287 {?} 54.877 0.986 1.863 284.187 10.614 0 0 875 {55.HA} 4.234 0.047 0.093 {56.HA} 5.208 0.100 0.287 {55.CA} 54.891 0.986 1.863 216.086 24.406 0 0 876 {120.HA 152.HA} 4.273 0.043 0.100 {120.HA 152.HA} 4.287 0.166 0.264 {120.CA 152.CA} 54.693 0.988 1.919 6706.146 2.760 0 0 877 {55.HA 150.HA} 4.206 0.040 0.082 {55.HA 150.HA} 4.221 0.136 0.217 {55.CA 150.CA} 54.791 0.939 1.341 9233.024 4.786 0 0 878 {?} 1.566 0.041 0.074 {?} 4.228 0.131 0.218 {?} 55.044 0.841 1.415 34.656 3.862 0 0 879 {55.HA} 4.248 0.049 0.172 {54.HA3} 3.473 0.112 0.160 {55.CA} 54.993 1.137 2.092 168.322 3.658 0 0 880 {5.HA} 4.027 0.049 0.172 {8.HB2} 3.306 0.112 0.160 {5.CA} 55.196 1.137 2.092 136.403 3.712 0 0 881 {120.HA} 4.276 0.043 0.068 {123.HB2} 2.984 0.196 0.284 {120.CA} 54.829 1.068 1.607 544.628 13.773 0 0 882 {?} 3.897 0.056 0.049 {?} 2.598 0.090 0.176 {?} 55.190 0.924 0.835 157.522 3.676 0 0 883 {?} 4.274 0.019 0.016 {?} 2.535 0.119 0.096 {?} 54.736 1.104 0.907 436.916 4.396 0 0 884 {?} 4.241 0.041 0.060 {?} 2.480 0.126 0.181 {?} 54.912 1.082 1.592 537.285 3.716 0 0 885 {164.HA} 3.896 0.045 0.077 {164.HB2} 2.379 0.062 0.226 {164.CA} 55.188 0.959 1.640 327.406 149.070 0 0 886 {55.HA} 4.233 0.045 0.077 {55.HB3} 2.093 0.062 0.226 {55.CA} 54.948 0.959 1.640 620.311 2.123 0 0 887 {164.HA 164.HA 164.HA} 3.897 0.038 0.054 {164.HE1 164.HE2 164.HE3} 2.096 0.074 0.232 {164.CA 164.CA 164.CA} 55.145 1.315 1.737 153.012 4.272 0 0 888 {55.HA} 4.233 0.019 0.057 {55.HG3} 1.845 0.080 0.139 {55.CA} 54.877 0.999 1.644 325.424 3.659 0 0 889 {120.HA 120.HA 150.HA 150.HA} 4.274 0.037 0.048 {120.HB1 120.HB3 150.HB1 150.HB3} 1.595 0.145 0.196 {120.CA 120.CA 150.CA 150.CA} 54.705 1.154 1.686 2406.838 154.650 0 0 890 {?} 1.565 0.014 0.001 {?} 1.578 0.082 0.001 {?} 55.099 0.708 0.010 11.596 3.106 0 0 891 {143.HA 143.HA} 4.159 0.014 0.001 {143.HB2 143.HB3} 1.501 0.082 0.001 {143.CA 143.CA} 55.197 0.708 0.010 2667.208 3.119 0 0 892 {164.HA 164.HA} 3.896 0.014 0.001 {75.HG21 75.HG23} 0.957 0.082 0.001 {164.CA 164.CA} 55.132 0.708 0.010 223.300 3.142 0 0 893 {?} 0.509 0.050 0.084 {?} 0.919 0.082 0.266 {?} 54.797 0.917 1.759 11.513 2.817 0 0 894 {164.HA 164.HA 164.HA} 3.897 0.050 0.084 {75.HG11 75.HG12 75.HG13} 0.641 0.082 0.266 {164.CA 164.CA 164.CA} 55.189 0.917 1.759 89.687 3.137 0 0 895 {?} 0.509 0.050 0.084 {?} 0.531 0.082 0.266 {?} 54.832 0.917 1.759 31.571 4.291 0 0 896 {?} 4.459 0.049 0.250 {?} 8.395 0.107 0.152 {?} 54.274 1.164 1.974 131.760 11.158 0 0 897 {?} 1.610 0.060 0.088 {?} 8.372 0.073 0.219 {?} 54.292 1.225 1.695 8.101 17.124 0 0 898 {?} 4.031 0.051 0.127 {?} 8.176 0.074 0.171 {?} 54.483 0.932 2.012 519.108 6.366 0 0 899 {151.HA} 4.097 0.051 0.127 {151.H} 8.108 0.074 0.171 {151.CA} 54.137 0.932 2.012 562.501 20.516 0 0 900 {?} 4.262 0.024 0.018 {?} 7.952 0.145 0.100 {?} 54.378 0.695 0.406 307.983 2.343 0 0 901 {?} 4.459 0.024 0.018 {?} 7.731 0.145 0.100 {?} 54.304 0.695 0.406 268.623 2.343 0 0 902 {?} 4.193 0.044 0.135 {?} 7.747 0.052 0.162 {?} 54.266 1.166 1.997 345.233 2.011 0 0 903 {?} 3.832 0.031 0.027 {?} 7.585 0.097 0.085 {?} 54.610 1.236 1.094 297.540 6.064 0 0 904 {120.HA} 4.262 0.050 0.104 {121.H} 7.161 0.109 0.236 {120.CA} 54.472 1.232 2.054 741.742 12.348 0 0 905 {?} 4.032 0.049 0.138 {?} 7.156 0.119 0.300 {?} 54.524 1.136 2.088 195.575 7.661 0 0 906 {?} 7.084 0.040 0.056 {?} 7.095 0.090 0.115 {?} 54.358 1.182 1.450 69.479 7.521 0 0 907 {?} 3.837 0.040 0.056 {?} 7.106 0.090 0.115 {?} 54.558 1.182 1.450 80.404 3.533 0 0 908 {?} 4.255 0.038 0.043 {?} 6.653 0.134 0.161 {?} 54.377 1.286 1.502 166.818 4.195 0 0 909 {?} 3.831 0.044 0.081 {?} 5.953 0.087 0.143 {?} 54.531 0.985 1.491 122.495 8.431 0 0 910 {52.HA} 4.194 0.044 0.081 {51.HA} 5.568 0.087 0.143 {52.CA} 54.300 0.985 1.491 146.695 1.698 0 0 911 {50.HA 56.HA} 5.209 0.044 0.081 {50.HA 56.HA} 5.233 0.087 0.143 {50.CA 56.CA} 54.179 0.985 1.491 612.890 5.184 0 0 912 {22.HA 23.HA} 4.995 0.029 0.024 {22.HA 23.HA} 4.993 0.080 0.064 {22.CA 23.CA} 54.441 0.636 0.508 146.208 2.838 0 0 913 {22.HA 23.HA 47.HA} 4.958 0.036 0.078 {22.HA 23.HA 47.HA} 4.950 0.164 0.273 {22.CA 23.CA 47.CA} 54.451 0.451 1.965 153.773 2.390 0 0 914 {120.HA} 4.279 0.031 0.047 {123.HA} 4.737 0.112 0.176 {120.CA} 54.632 1.193 2.034 13.140 3.776 0 0 915 {28.HA} 4.641 0.043 0.067 {28.HA} 4.664 0.080 0.146 {28.CA} 54.379 0.899 1.623 419.774 7.078 0 0 916 {162.HA} 4.458 0.045 0.068 {162.HA} 4.468 0.091 0.160 {162.CA} 54.392 1.174 1.837 15262.079 3.075 0 0 917 {?} 1.609 0.058 0.096 {?} 4.470 0.135 0.214 {?} 54.352 1.049 1.865 67.445 4.523 0 0 918 {?} 1.528 0.043 0.056 {?} 4.212 0.106 0.119 {?} 54.230 1.344 1.479 364.932 6.465 0 0 919 {?} 1.225 0.043 0.057 {?} 4.109 0.096 0.155 {?} 54.137 0.739 1.076 833.893 8.799 0 0 920 {151.HA} 4.029 0.033 0.017 {151.HA} 4.042 0.077 0.028 {151.CA} 54.621 0.754 0.273 10721.532 18.093 0 0 921 {?} 0.900 0.047 0.064 {?} 4.040 0.156 0.234 {?} 54.478 0.910 1.156 61.207 16.927 0 0 922 {102.HA} 3.829 0.050 0.089 {102.HA} 3.847 0.125 0.234 {102.CA} 54.575 1.129 2.033 579.084 11.671 0 0 923 {?} 0.510 0.050 0.089 {?} 3.847 0.125 0.234 {?} 54.595 1.129 2.033 22.935 11.671 0 0 924 {?} 4.267 0.017 0.005 {?} 3.701 0.112 0.153 {?} 54.471 1.196 0.351 91.452 81.583 0 0 925 {?} 5.169 0.017 0.005 {?} 3.529 0.112 0.153 {?} 54.493 1.196 0.351 252.899 81.583 0 0 926 {52.HA} 4.193 0.053 0.105 {54.HA3} 3.475 0.116 0.170 {52.CA} 54.316 0.895 2.814 125.147 23.905 0 0 927 {?} 4.457 0.053 0.105 {?} 3.364 0.116 0.170 {?} 54.175 0.895 2.814 221.524 5.291 0 0 928 {?} 4.212 0.053 0.105 {?} 3.194 0.116 0.170 {?} 54.472 0.895 2.814 287.732 6.958 0 0 929 {52.HA} 4.196 0.051 0.027 {51.HB2} 3.045 0.118 0.075 {52.CA} 54.284 0.825 0.495 158.747 5.423 0 0 930 {?} 4.209 0.051 0.027 {?} 2.866 0.118 0.075 {?} 54.543 0.825 0.495 219.164 5.423 0 0 931 {162.HA 162.HA 162.HA} 4.458 0.047 0.163 {162.HB1 162.HB2 162.HB3} 1.628 0.077 0.218 {162.CA 162.CA 162.CA} 54.299 1.050 1.500 524.874 3.772 0 0 932 {?} 1.609 0.047 0.163 {?} 1.624 0.077 0.218 {?} 54.457 1.050 1.500 8.541 6.083 0 0 933 {52.HA 150.HA 150.HA} 4.196 0.027 0.177 {52.HB2 150.HB1 150.HB3} 1.550 0.086 0.204 {52.CA 150.CA 150.CA} 54.547 0.844 1.206 6723.483 2.015 0 0 934 {?} 1.528 0.030 0.024 {?} 1.542 0.176 0.135 {?} 54.250 1.017 0.784 11.521 4.855 0 0 935 {?} 7.092 0.030 0.024 {?} 1.242 0.176 0.135 {?} 54.308 1.017 0.784 43.885 15.028 0 0 936 {13.HA 13.HA} 4.097 0.019 0.014 {13.HB1 13.HB3} 1.239 0.143 0.103 {13.CA 13.CA} 54.115 0.928 0.683 1787.091 5.025 0 0 937 {?} 1.225 0.043 0.061 {?} 1.236 0.108 0.169 {?} 54.154 0.860 1.220 3.480 2.678 0 0 938 {?} 4.266 0.042 0.081 {?} 0.893 0.115 0.203 {?} 54.511 0.907 1.884 1915.509 2.877 0 0 939 {151.HA 151.HA} 4.031 0.024 0.036 {151.HB1 151.HB3} 0.911 0.089 0.164 {151.CA 151.CA} 54.485 0.957 1.559 1572.207 9.234 0 0 940 {?} 3.830 0.024 0.036 {?} 0.923 0.089 0.164 {?} 54.570 0.957 1.559 462.717 9.234 0 0 941 {?} 0.900 0.037 0.067 {?} 0.915 0.155 0.286 {?} 54.464 0.878 1.919 49.171 11.586 0 0 942 {?} 7.093 0.037 0.067 {?} 0.533 0.155 0.286 {?} 54.554 0.878 1.919 132.955 11.586 0 0 943 {102.HA 102.HA 102.HA} 3.830 0.037 0.067 {102.HB1 102.HB2 102.HB3} 0.525 0.155 0.286 {102.CA 102.CA 102.CA} 54.570 0.878 1.919 509.324 11.586 0 0 944 {152.HA 152.HA} 4.260 0.046 0.102 {152.HD21 152.HD22} 0.435 0.102 0.228 {152.CA 152.CA} 54.431 0.923 1.999 879.728 5.127 0 0 945 {?} 3.829 0.037 0.090 {?} 0.292 0.306 0.438 {?} 54.577 1.009 2.176 186.488 4.854 0 0 946 {?} 4.264 0.036 0.096 {?} -0.104 0.102 0.201 {?} 54.442 1.088 1.907 389.464 3.461 0 0 947 {?} 4.100 0.043 0.088 {?} 8.755 0.123 0.259 {?} 53.990 0.365 1.802 5.476 27.271 0 0 948 {?} 4.302 0.043 0.088 {?} 8.645 0.123 0.259 {?} 53.840 0.365 1.802 280.183 27.271 0 0 949 {?} 4.534 0.043 0.088 {?} 8.429 0.123 0.259 {?} 53.720 0.365 1.802 62.696 27.271 0 0 950 {?} 5.384 0.045 0.095 {?} 8.190 0.169 0.276 {?} 54.012 0.933 1.949 295.376 6.935 0 0 951 {?} 4.303 0.050 0.070 {?} 8.116 0.199 0.282 {?} 53.746 1.340 1.940 156.964 4.864 0 0 952 {?} 5.426 0.042 0.046 {?} 7.775 0.140 0.171 {?} 54.005 1.126 1.302 45.549 7.038 0 0 953 {?} 5.391 0.026 0.029 {?} 7.793 0.051 0.059 {?} 54.041 0.639 0.733 55.443 9.889 0 0 954 {?} 4.533 0.047 0.094 {?} 7.795 0.225 0.322 {?} 53.770 1.283 1.859 159.003 13.906 0 0 955 {?} 4.113 0.047 0.112 {?} 7.519 0.109 0.295 {?} 53.810 1.173 2.048 583.978 4.106 0 0 956 {?} 5.383 0.052 0.050 {?} 7.467 0.064 0.136 {?} 53.978 1.141 1.082 28.521 2.168 0 0 957 {?} 5.386 0.043 0.062 {?} 6.281 0.122 0.165 {?} 53.889 1.106 1.688 163.405 2.124 0 0 958 {?} 4.303 0.041 0.049 {?} 6.205 0.099 0.124 {?} 53.804 0.813 1.010 258.304 2.564 0 0 959 {18.HA} 5.383 0.041 0.049 {18.HA} 5.396 0.099 0.124 {18.CA} 53.982 0.813 1.010 547.074 2.564 0 0 960 {18.HA} 5.384 0.042 0.054 {140.HA} 4.781 0.087 0.105 {18.CA} 54.047 1.583 1.752 13.209 18.004 0 0 961 {13.HA} 4.104 0.043 0.058 {14.HA} 4.676 0.099 0.120 {13.CA} 53.885 1.438 1.700 35.435 9.088 0 0 962 {17.HA} 4.534 0.046 0.092 {17.HA} 4.547 0.105 0.188 {17.CA} 53.855 0.816 1.913 723.074 7.169 0 0 963 {37.HA} 4.104 0.030 0.044 {38.HA} 4.404 0.121 0.139 {37.CA} 53.870 0.916 1.102 77.249 5.743 0 0 964 {13.HA 37.HA} 4.110 0.041 0.066 {13.HA 37.HA} 4.124 0.100 0.155 {13.CA 37.CA} 53.852 1.026 1.431 4938.448 14.801 0 0 965 {?} 1.430 0.046 0.052 {?} 4.127 0.096 0.117 {?} 53.692 0.928 1.125 791.663 4.687 0 0 966 {13.HA} 4.098 0.056 0.216 {12.HB2} 2.886 0.101 0.203 {13.CA} 53.979 1.817 2.595 168.712 4.649 0 0 967 {18.HA} 5.384 0.032 0.021 {18.HB2} 2.651 0.040 0.025 {18.CA} 54.020 1.054 0.654 311.006 2.905 0 0 968 {18.HA} 5.384 0.034 0.042 {18.HB3} 2.452 0.048 0.064 {18.CA} 53.989 0.953 1.272 226.991 257.863 0 0 969 {18.HA} 5.385 0.034 0.042 {19.HB2} 1.826 0.048 0.064 {18.CA} 54.004 0.953 1.272 52.454 257.863 0 0 970 {?} 4.113 0.034 0.042 {?} 1.767 0.048 0.064 {?} 53.780 0.953 1.272 163.027 257.863 0 0 971 {37.HA 37.HA 37.HA} 4.115 0.023 0.025 {37.HB1 37.HB2 37.HB3} 1.448 0.035 0.042 {37.CA 37.CA 37.CA} 53.769 0.527 0.632 1375.766 3.860 0 0 972 {?} 1.430 0.030 0.068 {?} 1.444 0.076 0.206 {?} 53.751 1.217 1.738 78.839 5.496 0 0 973 {122.HA} 4.302 0.019 0.020 {121.HD11} 0.896 0.060 0.064 {122.CA} 53.789 0.569 0.602 827.481 3.006 0 0 974 {?} 1.481 0.047 0.049 {?} 0.912 0.032 0.034 {?} 53.598 0.680 1.574 11.632 2.437 0 0 975 {?} 5.383 0.036 0.038 {?} 0.804 0.120 0.135 {?} 54.009 0.722 0.771 485.224 6.405 0 0 976 {18.HA} 5.385 0.016 0.033 {16.HG23} 0.242 0.123 0.119 {18.CA} 53.870 0.893 0.859 136.423 5.298 0 0 977 {?} 5.731 0.042 0.045 {?} 9.375 0.103 0.109 {?} 53.143 0.996 1.062 458.416 35.240 0 0 978 {?} 5.732 0.016 0.047 {?} 7.183 0.095 0.132 {?} 53.151 1.124 1.484 102.384 10.951 0 0 979 {58.HA} 5.729 0.044 0.072 {58.HA} 5.738 0.120 0.220 {58.CA} 53.157 0.736 1.565 425.289 6.742 0 0 980 {58.HA} 5.736 0.047 0.090 {48.HA} 5.502 0.139 0.269 {58.CA} 53.058 0.756 1.870 131.775 40.833 0 0 981 {58.HA} 5.735 0.047 0.090 {58.HB2} 2.156 0.139 0.269 {58.CA} 53.099 0.756 1.870 125.667 49.763 0 0 982 {?} 5.727 0.047 0.090 {?} 1.848 0.139 0.269 {?} 53.147 0.756 1.870 172.247 49.763 0 0 983 {?} 5.730 0.043 0.057 {?} 0.933 0.079 0.179 {?} 53.140 0.943 1.543 912.963 3.863 0 0 984 {?} 6.212 0.047 0.109 {?} 9.764 0.225 0.324 {?} 52.735 1.084 1.987 391.309 5.428 0 0 985 {128.HA} 5.855 0.034 0.026 {138.H} 9.554 0.147 0.105 {128.CA} 52.764 0.475 0.357 40.839 7.459 0 0 986 {?} 6.215 0.034 0.026 {?} 9.437 0.147 0.105 {?} 52.781 0.475 0.357 94.464 7.459 0 0 987 {?} 5.850 0.034 0.026 {?} 9.258 0.147 0.105 {?} 52.851 0.475 0.357 366.437 7.459 0 0 988 {46.HA} 6.222 0.034 0.026 {45.H} 9.167 0.147 0.105 {46.CA} 52.729 0.475 0.357 126.315 7.459 0 0 989 {128.HA} 5.859 0.034 0.026 {127.H} 9.057 0.147 0.105 {128.CA} 52.805 0.475 0.357 29.613 7.459 0 0 990 {?} 6.212 0.034 0.026 {?} 8.873 0.147 0.105 {?} 52.816 0.475 0.357 51.549 7.459 0 0 991 {?} 3.358 0.026 0.017 {?} 7.845 0.206 0.150 {?} 52.804 1.403 0.814 25.981 50.332 0 0 992 {?} 4.376 0.026 0.017 {?} 7.633 0.206 0.150 {?} 52.748 1.403 0.814 159.446 50.332 0 0 993 {?} 3.363 0.026 0.017 {?} 7.638 0.206 0.150 {?} 52.887 1.403 0.814 6.536 50.332 0 0 994 {46.HA} 6.221 0.038 0.060 {46.HD21} 7.574 0.081 0.127 {46.CA} 52.628 0.860 1.432 151.058 5.645 0 0 995 {?} 4.373 0.048 0.102 {?} 7.419 0.096 0.198 {?} 52.759 1.166 2.014 399.398 5.170 0 0 996 {?} 3.364 0.052 0.112 {?} 7.365 0.145 0.229 {?} 52.835 1.125 1.845 99.288 17.531 0 0 997 {128.HA} 5.850 0.038 0.058 {129.HD1} 7.003 0.095 0.185 {128.CA} 52.894 0.860 1.795 104.479 3.586 0 0 998 {?} 3.355 0.038 0.058 {?} 6.608 0.095 0.185 {?} 52.770 0.860 1.795 80.508 3.586 0 0 999 {46.HA} 6.214 0.037 0.041 {46.HA} 6.223 0.081 0.095 {46.CA} 52.735 1.042 1.241 541.015 3.402 0 0 1000 {128.HA} 5.850 0.054 0.065 {128.HA} 5.863 0.095 0.127 {128.CA} 52.834 1.128 1.466 573.498 9.481 0 0 1001 {?} 4.410 0.054 0.065 {?} 5.890 0.095 0.127 {?} 52.955 1.128 1.466 109.585 9.481 0 0 1002 {46.HA} 6.212 0.054 0.065 {60.HA} 5.485 0.095 0.127 {46.CA} 52.720 1.128 1.466 208.105 9.481 0 0 1003 {128.HA} 5.853 0.054 0.065 {139.HA} 5.486 0.095 0.127 {128.CA} 52.842 1.128 1.466 215.041 9.481 0 0 1004 {?} 6.214 0.054 0.065 {?} 5.235 0.095 0.127 {?} 52.656 1.128 1.466 131.404 9.481 0 0 1005 {38.HA} 4.374 0.054 0.065 {39.HA} 5.118 0.095 0.127 {38.CA} 52.776 1.128 1.466 75.720 9.481 0 0 1006 {46.HA} 6.213 0.054 0.065 {45.HA} 4.898 0.095 0.127 {46.CA} 52.613 1.128 1.466 63.822 9.481 0 0 1007 {128.HA} 5.849 0.054 0.065 {127.HA} 4.721 0.095 0.127 {128.CA} 52.856 1.128 1.466 42.481 9.481 0 0 1008 {?} 3.366 0.045 0.080 {?} 4.607 0.151 0.223 {?} 52.820 0.795 1.533 35.330 5.931 0 0 1009 {134.HA 134.HA} 3.366 0.050 0.023 {133.HA 135.HA} 4.471 0.093 0.026 {134.CA 134.CA} 52.952 0.581 0.831 27.428 8.336 0 0 1010 {38.HA} 4.374 0.048 0.062 {38.HA} 4.389 0.086 0.128 {38.CA} 52.736 0.750 1.077 4267.498 8.601 0 0 1011 {?} 1.515 0.048 0.062 {?} 4.390 0.086 0.128 {?} 52.751 0.750 1.077 114.605 8.601 0 0 1012 {?} 4.372 0.048 0.062 {?} 4.071 0.086 0.128 {?} 52.627 0.750 1.077 433.217 8.601 0 0 1013 {46.HA} 6.208 0.029 0.028 {60.HB3} 3.927 0.133 0.127 {46.CA} 52.764 1.383 1.341 120.130 3.198 0 0 1014 {?} 3.360 0.029 0.028 {?} 3.787 0.133 0.127 {?} 52.736 1.383 1.341 6.875 3.198 0 0 1015 {?} 4.375 0.029 0.028 {?} 3.696 0.133 0.127 {?} 52.797 1.383 1.341 200.707 3.198 0 0 1016 {134.HA} 3.366 0.042 0.029 {134.HA} 3.381 0.089 0.069 {134.CA} 52.833 1.119 0.867 241.656 3.038 0 0 1017 {?} 3.365 0.051 0.056 {?} 2.826 0.143 0.166 {?} 52.848 0.854 1.046 130.775 8.302 0 0 1018 {46.HA} 6.205 0.054 0.088 {46.HB2} 2.628 0.121 0.268 {46.CA} 52.834 1.154 1.815 66.246 13.189 0 0 1019 {?} 4.380 0.075 0.080 {?} 2.484 0.104 0.109 {?} 52.732 1.471 1.500 229.730 22.919 0 0 1020 {?} 3.367 0.057 0.078 {?} 2.512 0.103 0.144 {?} 52.813 1.033 1.481 116.104 19.297 0 0 1021 {46.HA} 6.215 0.038 0.071 {46.HB3} 2.170 0.103 0.175 {46.CA} 52.711 0.970 1.764 307.486 10.373 0 0 1022 {38.HA} 4.368 0.049 0.098 {39.HB2} 2.083 0.122 0.202 {38.CA} 52.889 1.103 1.892 19.367 7.779 0 0 1023 {128.HA} 5.850 0.048 0.104 {128.HB3} 2.024 0.110 0.221 {128.CA} 52.774 0.957 2.134 150.141 9.741 0 0 1024 {?} 6.218 0.029 0.049 {?} 1.811 0.088 0.162 {?} 52.721 0.900 1.822 267.187 3.048 0 0 1025 {128.HA} 5.851 0.029 0.049 {128.HB2} 1.783 0.088 0.162 {128.CA} 52.837 0.900 1.822 129.871 6.556 0 0 1026 {134.HA} 3.372 0.023 0.082 {133.HB3} 1.782 0.084 0.150 {134.CA} 52.879 1.054 3.147 61.636 3.488 0 0 1027 {38.HA 38.HA} 4.373 0.023 0.082 {38.HB1 38.HB2} 1.523 0.084 0.150 {38.CA 38.CA} 52.747 1.054 3.147 1584.855 2.673 0 0 1028 {?} 1.514 0.049 0.186 {?} 1.525 0.121 0.207 {?} 52.769 1.488 2.126 92.297 3.905 0 0 1029 {?} 3.363 0.049 0.186 {?} 1.454 0.121 0.207 {?} 52.663 1.488 2.126 26.770 3.825 0 0 1030 {?} 5.852 0.056 0.134 {?} 1.396 0.096 0.212 {?} 52.929 0.782 1.805 306.408 2.997 0 0 1031 {?} 5.850 0.058 0.089 {?} 1.176 0.053 0.178 {?} 52.849 0.996 1.519 241.453 124.062 0 0 1032 {?} 4.375 0.058 0.089 {?} 1.121 0.053 0.178 {?} 52.835 0.996 1.519 67.529 124.062 0 0 1033 {?} 3.358 0.050 0.092 {?} 0.946 0.100 0.178 {?} 52.802 1.070 1.734 76.377 148.851 0 0 1034 {?} 6.212 0.050 0.092 {?} 0.917 0.100 0.178 {?} 52.738 1.070 1.734 261.611 148.851 0 0 1035 {?} 5.851 0.050 0.092 {?} 0.811 0.100 0.178 {?} 52.787 1.070 1.734 48.742 7.964 0 0 1036 {?} 4.179 0.050 0.075 {?} 8.397 0.175 0.237 {?} 52.096 0.960 1.468 251.912 2.291 0 0 1037 {?} 4.176 0.060 0.069 {?} 7.996 0.063 0.159 {?} 52.151 0.883 1.080 349.236 4.204 0 0 1038 {?} 4.176 0.050 0.085 {?} 7.738 0.100 0.172 {?} 52.157 0.919 1.697 384.697 10.711 0 0 1039 {?} 1.259 0.030 0.020 {?} 7.726 0.170 0.097 {?} 52.254 1.264 0.698 41.437 9.245 0 0 1040 {?} 4.469 0.046 0.068 {?} 7.625 0.149 0.207 {?} 52.169 1.123 1.547 122.993 11.027 0 0 1041 {?} 4.469 0.040 0.085 {?} 7.371 0.179 0.325 {?} 52.177 0.694 1.302 215.625 7.395 0 0 1042 {155.HA} 4.997 0.047 0.066 {155.HA} 4.994 0.161 0.230 {155.CA} 52.283 0.952 1.397 69.636 7.928 0 0 1043 {?} 4.479 0.047 0.066 {?} 4.844 0.161 0.230 {?} 52.011 0.952 1.397 43.269 13.299 0 0 1044 {?} 4.178 0.063 0.059 {?} 4.508 0.192 0.177 {?} 52.117 0.882 0.800 43.666 4.510 0 0 1045 {135.HA} 4.466 0.063 0.059 {135.HA} 4.469 0.192 0.177 {135.CA} 52.368 0.882 0.800 2709.905 4.510 0 0 1046 {163.HA} 4.176 0.063 0.059 {163.HA} 4.189 0.192 0.177 {163.CA} 52.163 0.882 0.800 6102.838 4.510 0 0 1047 {?} 1.259 0.015 0.033 {?} 4.188 0.211 0.301 {?} 52.147 0.707 0.724 104.634 7.023 0 0 1048 {135.HA} 4.469 0.036 0.059 {135.HB2} 3.220 0.122 0.278 {135.CA} 52.202 0.824 1.600 516.102 56.121 0 0 1049 {163.HA} 4.172 0.036 0.059 {160.HB2} 3.001 0.122 0.278 {163.CA} 52.282 0.824 1.600 59.867 56.121 0 0 1050 {?} 4.177 0.036 0.059 {?} 2.601 0.122 0.278 {?} 52.163 0.824 1.600 138.230 56.121 0 0 1051 {?} 2.397 0.036 0.059 {?} 2.411 0.122 0.278 {?} 52.231 0.824 1.600 1242.927 56.121 0 0 1052 {135.HA} 4.474 0.050 0.067 {135.HB3} 2.203 0.199 0.296 {135.CA} 52.184 1.117 1.717 311.788 7.527 0 0 1053 {?} 4.478 0.050 0.067 {?} 1.944 0.199 0.296 {?} 52.205 1.117 1.717 103.976 47.704 0 0 1054 {?} 4.477 0.050 0.067 {?} 1.774 0.199 0.296 {?} 52.238 1.117 1.717 227.706 47.704 0 0 1055 {163.HA} 4.176 0.050 0.067 {162.HB1} 1.623 0.199 0.296 {163.CA} 52.136 1.117 1.717 373.432 6.344 0 0 1056 {163.HA 163.HA 163.HA} 4.176 0.050 0.067 {163.HB1 163.HB2 163.HB3} 1.277 0.199 0.296 {163.CA 163.CA 163.CA} 52.153 1.117 1.717 315.344 6.344 0 0 1057 {?} 1.260 0.050 0.067 {?} 1.276 0.199 0.296 {?} 52.150 1.117 1.717 75.356 2.111 0 0 1058 {?} 5.564 0.030 0.042 {?} 9.502 0.126 0.181 {?} 51.431 0.419 0.599 37.323 2.496 0 0 1059 {?} 4.580 0.030 0.042 {?} 9.237 0.126 0.181 {?} 51.489 0.419 0.599 74.667 2.496 0 0 1060 {?} 5.569 0.030 0.042 {?} 9.175 0.126 0.181 {?} 51.465 0.419 0.599 41.350 2.496 0 0 1061 {?} 5.563 0.079 0.112 {?} 8.734 0.211 0.301 {?} 51.509 1.147 1.673 30.292 2.287 0 0 1062 {?} 5.570 0.059 0.068 {?} 8.288 0.094 0.228 {?} 51.570 1.414 1.604 144.474 12.162 0 0 1063 {?} 4.397 0.042 0.099 {?} 8.236 0.094 0.135 {?} 51.727 1.177 2.054 54.666 1.965 0 0 1064 {?} 4.525 0.042 0.065 {?} 8.107 0.098 0.157 {?} 51.551 0.861 1.562 13.461 20.308 0 0 1065 {?} 4.460 0.051 0.074 {?} 8.147 0.138 0.253 {?} 51.715 0.959 1.445 35.057 15.189 0 0 1066 {?} 4.401 0.048 0.097 {?} 8.094 0.174 0.284 {?} 51.713 0.948 1.808 138.510 4.394 0 0 1067 {?} 5.569 0.055 0.112 {?} 8.040 0.190 0.309 {?} 51.503 1.014 2.047 170.010 5.701 0 0 1068 {?} 4.575 0.055 0.112 {?} 8.031 0.190 0.309 {?} 51.547 1.014 2.047 149.178 12.570 0 0 1069 {?} 4.458 0.045 0.088 {?} 7.816 0.123 0.176 {?} 51.521 1.105 2.049 83.558 5.437 0 0 1070 {?} 5.564 0.047 0.064 {?} 7.748 0.101 0.267 {?} 51.428 1.065 1.411 145.939 10.440 0 0 1071 {?} 5.569 0.057 0.049 {?} 6.768 0.074 0.128 {?} 51.553 1.203 0.782 37.212 7.348 0 0 1072 {51.HA} 5.566 0.034 0.026 {51.HA} 5.581 0.123 0.078 {51.CA} 51.474 0.928 0.577 479.711 6.785 0 0 1073 {51.HA} 5.576 0.028 0.025 {50.HA} 5.243 0.123 0.108 {51.CA} 51.502 1.285 1.106 90.827 3.690 0 0 1074 {136.HA} 4.580 0.042 0.085 {136.HA} 4.573 0.106 0.207 {136.CA} 51.559 0.929 2.127 155.468 3.491 0 0 1075 {?} 3.985 0.037 0.066 {?} 3.998 0.118 0.168 {?} 51.572 0.907 1.924 1037.686 3.836 0 0 1076 {51.HA} 5.562 0.043 0.069 {79.HA3} 3.474 0.128 0.227 {51.CA} 51.380 1.272 1.903 169.118 4.353 0 0 1077 {51.HA} 5.563 0.030 0.054 {51.HB2} 3.053 0.139 0.187 {51.CA} 51.469 0.775 1.156 138.312 16.108 0 0 1078 {51.HA} 5.569 0.030 0.054 {51.HB3} 2.642 0.139 0.187 {51.CA} 51.443 0.775 1.156 417.173 16.108 0 0 1079 {?} 2.216 0.040 0.086 {?} 2.224 0.207 0.303 {?} 51.634 1.231 1.758 9.174 4.447 0 0 1080 {51.HA 51.HA 51.HA} 5.566 0.040 0.086 {50.HG2 52.HB2 52.HB3} 1.550 0.207 0.303 {51.CA 51.CA 51.CA} 51.463 1.231 1.758 16.516 4.447 0 0 1081 {51.HA} 5.566 0.030 0.060 {81.HD22} 0.407 0.080 0.109 {51.CA} 51.481 0.914 1.270 297.096 4.154 0 0 1082 {?} 3.556 0.030 0.060 {?} 7.203 0.080 0.109 {?} 50.981 0.914 1.270 69.745 4.154 0 0 1083 {40.HD2 40.HD3} 3.784 0.030 0.060 {39.HA 39.HA} 5.101 0.080 0.109 {40.CD 40.CD} 50.995 0.914 1.270 705.632 4.154 0 0 1084 {156.HD3} 4.197 0.048 0.063 {155.HA} 5.003 0.091 0.129 {156.CD} 50.859 0.944 1.368 232.044 2.651 0 0 1085 {156.HD3} 4.198 0.029 0.029 {156.HD2} 3.990 0.088 0.087 {156.CD} 50.873 1.071 1.064 238.539 20.939 0 0 1086 {40.HD3} 3.782 0.064 0.188 {40.HD3} 3.796 0.111 0.219 {40.CD} 50.979 1.493 2.133 1200.814 116.548 0 0 1087 {?} 4.651 0.064 0.188 {?} 3.190 0.111 0.219 {?} 51.172 1.493 2.133 120.458 14.188 0 0 1088 {?} 4.016 0.064 0.188 {?} 3.216 0.111 0.219 {?} 50.870 1.493 2.133 136.203 5.739 0 0 1089 {?} 3.550 0.064 0.188 {?} 3.209 0.111 0.219 {?} 50.979 1.493 2.133 195.118 7.727 0 0 1090 {?} 4.011 0.064 0.188 {?} 3.033 0.111 0.219 {?} 50.877 1.493 2.133 278.446 150.171 0 0 1091 {?} 3.552 0.012 0.015 {?} 3.038 0.071 0.088 {?} 50.891 0.661 0.821 63.869 7.200 0 0 1092 {?} 4.670 0.016 0.022 {?} 2.929 0.072 0.106 {?} 50.988 0.727 1.067 15.290 28.563 0 0 1093 {?} 4.669 0.044 0.045 {?} 2.703 0.227 0.231 {?} 50.944 0.916 0.940 27.690 1.999 0 0 1094 {?} 4.651 0.036 0.029 {?} 2.705 0.064 0.104 {?} 51.110 1.458 1.235 69.895 3.971 0 0 1095 {?} 3.553 0.039 0.059 {?} 2.725 0.142 0.203 {?} 51.004 0.887 1.534 84.184 6.493 0 0 1096 {?} 2.643 0.048 0.064 {?} 2.655 0.136 0.274 {?} 51.004 1.246 1.748 29.020 2.592 0 0 1097 {25.HD2 40.HD2 40.HD3} 3.776 0.043 0.111 {24.HB3 40.HB2 40.HB2} 2.473 0.130 0.282 {25.CD 40.CD 40.CD} 50.958 0.950 2.087 175.778 2.336 0 0 1098 {156.HD3} 4.196 0.032 0.066 {149.HG} 2.302 0.067 0.323 {156.CD} 50.859 0.782 1.582 260.887 5.104 0 0 1099 {40.HD3} 3.779 0.043 0.060 {39.HB2} 2.049 0.089 0.144 {40.CD} 50.936 1.412 1.922 468.644 4.330 0 0 1100 {156.HD3} 4.199 0.039 0.092 {149.HB2} 2.020 0.128 0.184 {156.CD} 50.906 1.118 2.079 166.879 5.564 0 0 1101 {97.HD2} 3.779 0.053 0.199 {97.HG2} 1.910 0.083 0.119 {97.CD} 50.938 0.882 1.261 1478.370 60.263 0 0 1102 {?} 3.553 0.053 0.199 {?} 1.696 0.083 0.119 {?} 50.917 0.882 1.261 156.260 60.263 0 0 1103 {?} 4.008 0.053 0.199 {?} 1.683 0.083 0.119 {?} 50.907 0.882 1.261 144.105 60.263 0 0 1104 {?} 3.790 0.053 0.199 {?} 1.541 0.083 0.119 {?} 51.015 0.882 1.261 20.204 10.544 0 0 1105 {?} 4.572 0.053 0.199 {?} 1.308 0.083 0.119 {?} 51.061 0.882 1.261 738.246 87.830 0 0 1106 {?} 5.570 0.053 0.199 {?} 1.073 0.083 0.119 {?} 51.281 0.882 1.261 149.751 87.830 0 0 1107 {156.HD3 156.HD3} 4.195 0.053 0.199 {149.HD12 149.HD13} 1.049 0.083 0.119 {156.CD 156.CD} 50.892 0.882 1.261 148.837 87.830 0 0 1108 {?} 3.973 0.027 0.032 {?} 1.045 0.085 0.106 {?} 50.905 0.664 0.825 280.658 5.196 0 0 1109 {?} 3.974 0.018 0.024 {?} 0.918 0.107 0.160 {?} 50.879 0.623 0.910 376.203 2.545 0 0 1110 {?} 3.554 0.039 0.053 {?} 0.802 0.060 0.096 {?} 50.869 0.905 1.349 118.454 60.321 0 0 1111 {51.HA} 5.566 0.039 0.053 {81.HG} 0.665 0.060 0.096 {51.CA} 51.273 0.905 1.349 94.975 60.321 0 0 1112 {?} 4.661 0.043 0.140 {?} 0.068 0.105 0.204 {?} 51.084 0.774 2.072 48.446 7.144 0 0 1113 {139.HA} 5.489 0.043 0.140 {138.H} 9.540 0.105 0.204 {139.CA} 50.467 0.774 2.072 37.855 13.863 0 0 1114 {?} 5.481 0.043 0.140 {?} 9.057 0.105 0.204 {?} 50.503 0.774 2.072 315.415 59.013 0 0 1115 {97.HD2} 3.731 0.043 0.140 {96.H} 7.392 0.105 0.204 {97.CD} 50.417 0.774 2.072 47.519 59.013 0 0 1116 {139.HA} 5.482 0.013 0.019 {128.HA} 5.870 0.091 0.140 {139.CA} 50.476 0.735 1.089 165.255 21.439 0 0 1117 {139.HA} 5.482 0.063 0.077 {139.HA} 5.494 0.126 0.181 {139.CA} 50.456 0.710 1.019 836.674 4.400 0 0 1118 {?} 4.100 0.049 0.157 {?} 5.512 0.158 0.263 {?} 50.585 1.478 2.293 71.579 2.051 0 0 1119 {?} 1.383 0.044 0.050 {?} 5.492 0.095 0.112 {?} 50.488 0.653 0.773 4.785 22.359 0 0 1120 {156.HD2} 3.967 0.044 0.050 {155.HA} 5.003 0.095 0.112 {156.CD} 50.768 0.653 0.773 104.364 22.359 0 0 1121 {?} 3.901 0.044 0.050 {?} 5.004 0.095 0.112 {?} 50.408 0.653 0.773 40.684 22.359 0 0 1122 {?} 3.711 0.053 0.059 {?} 5.014 0.038 0.096 {?} 50.447 0.813 0.927 132.040 33.023 0 0 1123 {25.HD2} 3.793 0.053 0.059 {24.HA} 4.874 0.038 0.096 {25.CD} 50.556 0.813 0.927 357.426 33.023 0 0 1124 {25.HD3} 3.888 0.044 0.073 {24.HA} 4.845 0.107 0.182 {25.CD} 50.353 0.754 1.304 430.422 4.585 0 0 1125 {24.HD2 25.HD2} 3.734 0.074 0.118 {24.HA 24.HA} 4.845 0.128 0.228 {24.CD 25.CD} 50.354 0.785 1.183 209.630 11.040 0 0 1126 {97.HD3} 4.014 0.046 0.084 {96.HA} 4.739 0.102 0.274 {97.CD} 50.537 1.247 2.042 112.447 2.298 0 0 1127 {97.HD2} 3.677 0.073 0.152 {96.HA} 4.741 0.124 0.203 {97.CD} 50.527 0.784 1.482 240.053 7.370 0 0 1128 {?} 4.105 0.042 0.058 {?} 4.537 0.112 0.122 {?} 50.609 0.932 1.011 2.883 3.784 0 0 1129 {97.HD3} 4.021 0.026 0.027 {96.HB} 4.512 0.088 0.091 {97.CD} 50.512 1.172 1.206 73.036 14.080 0 0 1130 {97.HD2} 3.683 0.040 0.061 {96.HB} 4.512 0.074 0.123 {97.CD} 50.560 0.902 1.652 137.993 5.158 0 0 1131 {25.HD3} 3.886 0.017 0.072 {25.HA} 4.456 0.119 0.227 {25.CD} 50.350 0.862 1.946 144.949 1.940 0 0 1132 {25.HD2 97.HD2} 3.732 0.042 0.087 {25.HA 96.HB} 4.469 0.116 0.287 {25.CD 97.CD} 50.338 1.211 1.730 190.227 4.247 0 0 1133 {?} 4.014 0.052 0.108 {?} 4.282 0.047 0.149 {?} 50.803 1.134 2.091 136.315 14.139 0 0 1134 {?} 3.553 0.051 0.092 {?} 4.300 0.077 0.154 {?} 50.832 0.819 1.759 107.466 15.925 0 0 1135 {156.HD2} 3.974 0.037 0.059 {156.HD3} 4.219 0.079 0.233 {156.CD} 50.788 1.107 1.734 144.425 2.516 0 0 1136 {?} 3.552 0.052 0.131 {?} 4.030 0.115 0.251 {?} 50.806 0.869 1.942 160.920 2.103 0 0 1137 {24.HD3 25.HD3} 3.876 0.033 0.043 {24.HD3 25.HD3} 3.890 0.126 0.181 {24.CD 25.CD} 50.592 0.868 1.027 844.956 10.437 0 0 1138 {24.HD2 97.HD2} 3.692 0.038 0.063 {24.HD2 97.HD2} 3.701 0.126 0.181 {24.CD 97.CD} 50.435 0.772 1.200 1846.752 19.049 0 0 1139 {?} 4.013 0.041 0.048 {?} 3.576 0.056 0.066 {?} 50.821 0.909 1.082 511.359 1.977 0 0 1140 {?} 3.567 0.030 0.028 {?} 3.577 0.132 0.121 {?} 50.542 0.883 0.799 1711.804 3.407 0 0 1141 {24.HD3} 3.895 0.040 0.048 {23.HB2} 3.207 0.199 0.232 {24.CD} 50.434 0.888 1.135 130.671 26.179 0 0 1142 {24.HD2} 3.712 0.065 0.072 {23.HB2} 3.195 0.119 0.157 {24.CD} 50.434 1.228 1.655 38.927 5.823 0 0 1143 {24.HD3} 3.904 0.031 0.032 {23.HB3} 3.021 0.091 0.093 {24.CD} 50.469 1.246 1.278 232.086 228.976 0 0 1144 {24.HD2} 3.716 0.031 0.032 {23.HB3} 3.026 0.091 0.093 {24.CD} 50.371 1.246 1.278 85.098 228.976 0 0 1145 {?} 4.018 0.054 0.210 {?} 2.713 0.101 0.218 {?} 50.791 1.320 1.886 97.035 11.585 0 0 1146 {24.HD3 25.HD3} 3.888 0.054 0.210 {24.HB3 24.HB3} 2.531 0.101 0.218 {24.CD 25.CD} 50.309 1.320 1.886 215.734 4.255 0 0 1147 {40.HD2} 3.685 0.054 0.210 {40.HB2} 2.447 0.101 0.218 {40.CD} 50.496 1.320 1.886 404.155 10.710 0 0 1148 {97.HD3 156.HD2} 4.015 0.079 0.112 {97.HG3 156.HG2} 2.264 0.087 0.227 {97.CD 156.CD} 50.695 1.325 1.893 154.711 9.437 0 0 1149 {?} 3.553 0.079 0.112 {?} 2.266 0.087 0.227 {?} 50.820 1.325 1.893 306.289 5.343 0 0 1150 {24.HD3 25.HD3} 3.893 0.079 0.112 {24.HG3 25.HG3} 2.217 0.087 0.227 {24.CD 25.CD} 50.371 1.325 1.893 475.981 2.709 0 0 1151 {24.HD2 25.HD2 97.HD2} 3.732 0.016 0.024 {24.HG3 25.HG3 97.HG3} 2.218 0.101 0.189 {24.CD 25.CD 97.CD} 50.354 0.823 1.455 529.587 86.650 0 0 1152 {97.HD3 156.HD2} 4.016 0.016 0.024 {97.HB2 149.HB2} 1.981 0.101 0.189 {97.CD 156.CD} 50.543 0.823 1.455 113.268 86.650 0 0 1153 {97.HD3 156.HD2} 3.979 0.016 0.024 {97.HB2 149.HB2} 2.008 0.101 0.189 {97.CD 156.CD} 50.710 0.823 1.455 212.806 86.650 0 0 1154 {25.HD3} 3.892 0.048 0.038 {24.HB2} 1.935 0.075 0.128 {25.CD} 50.333 0.856 0.618 1120.690 9.279 0 0 1155 {97.HD2} 3.736 0.044 0.055 {97.HG2} 1.935 0.161 0.196 {97.CD} 50.459 0.739 0.973 1561.940 16.438 0 0 1156 {156.HD2} 3.977 0.042 0.082 {156.HB3} 1.794 0.157 0.257 {156.CD} 50.756 1.403 2.004 76.165 1.629 0 0 1157 {25.HD3} 3.888 0.043 0.124 {25.HB2} 1.740 0.138 0.234 {25.CD} 50.374 0.806 1.627 191.368 10.092 0 0 1158 {25.HD2} 3.732 0.042 0.073 {25.HB2} 1.745 0.107 0.211 {25.CD} 50.369 0.838 1.778 53.153 3.460 0 0 1159 {139.HA 139.HA 139.HA} 5.482 0.042 0.073 {139.HB1 139.HB2 139.HB3} 1.399 0.107 0.211 {139.CA 139.CA 139.CA} 50.477 0.838 1.778 664.758 8.966 0 0 1160 {?} 4.099 0.037 0.052 {?} 1.395 0.141 0.210 {?} 50.513 1.021 1.663 156.641 3.064 0 0 1161 {40.HD3} 3.775 0.043 0.086 {139.HB1} 1.408 0.134 0.221 {40.CD} 50.704 0.823 1.548 110.467 8.696 0 0 1162 {?} 1.386 0.049 0.100 {?} 1.400 0.143 0.205 {?} 50.571 1.128 1.940 28.178 2.899 0 0 1163 {?} 3.554 0.034 0.047 {?} 1.337 0.063 0.197 {?} 50.693 0.781 1.055 96.163 3.746 0 0 1164 {?} 4.105 0.076 0.101 {?} 1.209 0.076 0.227 {?} 50.524 0.917 1.420 208.145 3.650 0 0 1165 {97.HD3} 4.016 0.047 0.097 {96.HG21} 1.221 0.089 0.230 {97.CD} 50.546 0.808 2.169 255.686 16.137 0 0 1166 {97.HD2 97.HD2 97.HD2} 3.678 0.047 0.097 {96.HG21 96.HG22 96.HG23} 1.223 0.089 0.230 {97.CD 97.CD 97.CD} 50.496 0.808 2.169 87.237 11.285 0 0 1167 {139.HA} 5.479 0.018 0.026 {127.HG21} 0.997 0.072 0.116 {139.CA} 50.528 0.776 1.275 35.868 2.143 0 0 1168 {?} 3.912 0.047 0.092 {?} 0.947 0.110 0.210 {?} 50.592 0.970 1.386 41.315 2.394 0 0 1169 {?} 5.475 0.047 0.092 {?} 0.813 0.110 0.210 {?} 50.459 0.970 1.386 116.165 8.416 0 0 1170 {156.HD2} 4.017 0.037 0.052 {154.HG11} 0.803 0.113 0.174 {156.CD} 50.739 0.837 1.433 75.908 4.169 0 0 1171 {?} 4.008 0.019 0.014 {?} 0.560 0.087 0.053 {?} 50.598 1.206 0.739 75.634 4.048 -1 0 1172 {?} 7.447 0.044 0.042 {?} 4.558 0.206 0.203 {?} 50.014 0.753 0.729 28.816 1.651 0 0 1173 {126.HD3} 3.463 0.018 0.013 {41.HA2} 4.240 0.120 0.087 {126.CD} 49.791 0.923 0.665 25.512 3.155 0 0 1174 {?} 7.450 0.036 0.062 {?} 3.499 0.100 0.175 {?} 49.868 0.778 1.540 47.083 8.372 0 0 1175 {126.HD3} 3.460 0.010 0.005 {126.HD3} 3.474 0.068 0.035 {126.CD} 49.855 0.750 0.383 70.245 3.717 0 0 1176 {?} 3.187 0.038 0.088 {?} 3.300 0.109 0.218 {?} 50.229 0.963 2.082 132.599 2.621 0 0 1177 {?} 7.452 0.040 0.081 {?} 2.602 0.083 0.196 {?} 50.057 0.778 1.767 38.974 11.309 0 0 1178 {?} 2.088 0.052 0.067 {?} 2.103 0.156 0.192 {?} 49.999 1.133 1.498 1202.003 3.292 0 0 1179 {?} 1.986 0.034 0.045 {?} 2.102 0.077 0.115 {?} 49.999 0.859 1.301 63.534 3.073 0 0 1180 {126.HD3} 3.455 0.035 0.070 {40.HG2} 1.889 0.105 0.200 {126.CD} 49.803 0.923 1.819 94.877 2.053 0 0 1181 {126.HD2} 3.325 0.043 0.070 {40.HG2} 1.894 0.149 0.213 {126.CD} 49.787 0.783 1.177 404.018 14.181 0 0 1182 {?} 4.642 0.046 0.088 {?} 10.420 0.095 0.210 {?} 49.274 1.069 2.032 15.611 12.327 0 0 1183 {?} 4.611 0.041 0.067 {?} 10.417 0.099 0.200 {?} 49.556 1.025 1.946 129.764 3.063 0 0 1184 {?} 4.674 0.041 0.067 {?} 9.264 0.170 0.289 {?} 49.436 1.301 1.878 13.126 6.513 0 0 1185 {?} 6.625 0.033 0.042 {?} 6.638 0.163 0.215 {?} 49.537 0.807 0.974 508.829 6.510 0 0 1186 {?} 6.622 0.044 0.059 {?} 6.316 0.141 0.160 {?} 49.417 1.150 1.320 35.335 4.386 0 0 1187 {?} 4.667 0.042 0.050 {?} 5.372 0.088 0.109 {?} 49.337 0.971 1.201 39.807 2.502 0 0 1188 {?} 4.655 0.033 0.043 {?} 5.183 0.086 0.114 {?} 49.314 1.197 1.681 10.990 2.356 0 0 1189 {?} 4.548 0.067 0.156 {?} 5.166 0.109 0.193 {?} 49.463 1.080 2.133 8.165 2.571 0 0 1190 {?} 4.526 0.067 0.156 {?} 4.842 0.109 0.193 {?} 49.235 1.080 2.133 53.345 2.845 0 0 1191 {126.HD2 126.HD2} 3.316 0.052 0.077 {40.HA 127.HA} 4.678 0.094 0.128 {126.CD 126.CD} 49.455 1.245 1.729 38.984 2.805 0 0 1192 {74.HD2} 6.623 0.052 0.077 {71.HA} 4.605 0.094 0.128 {74.CD2} 49.549 1.245 1.729 161.462 2.805 0 0 1193 {?} 4.674 0.012 0.041 {?} 4.570 0.115 0.141 {?} 49.420 1.559 2.040 205.053 168.634 0 0 1194 {?} 4.554 0.012 0.041 {?} 4.554 0.115 0.141 {?} 49.648 1.559 2.040 51.902 14.631 0 0 1195 {?} 3.331 0.029 0.027 {?} 4.260 0.061 0.056 {?} 49.628 0.893 1.899 130.148 3.445 0 0 1196 {126.HD3} 3.459 0.041 0.084 {40.HD3} 3.755 0.080 0.191 {126.CD} 49.645 1.411 2.142 343.276 2.258 0 0 1197 {126.HD3 126.HD3 126.HD3} 3.420 0.041 0.084 {40.HD2 40.HD3 41.HA3} 3.754 0.080 0.191 {126.CD 126.CD 126.CD} 49.387 1.411 2.142 4.699 1.943 0 0 1198 {126.HD2 126.HD2 126.HD2} 3.323 0.041 0.173 {40.HD2 40.HD3 41.HA3} 3.750 0.093 0.225 {126.CD 126.CD 126.CD} 49.610 1.456 2.081 14.111 3.514 0 0 1199 {74.HD2} 6.625 0.011 0.022 {74.HB2} 3.075 0.095 0.204 {74.CD2} 49.530 1.072 1.908 61.454 12.085 0 0 1200 {74.HD2} 6.626 0.011 0.017 {74.HB3} 2.864 0.059 0.088 {74.CD2} 49.530 0.589 0.880 75.277 8.075 0 0 1201 {126.HD3 126.HD3} 3.464 0.011 0.019 {39.HB3 126.HB2} 2.322 0.064 0.105 {126.CD 126.CD} 49.647 0.605 0.980 64.585 3.665 0 0 1202 {126.HD2 126.HD2} 3.327 0.040 0.185 {39.HB3 126.HB2} 2.302 0.079 0.228 {126.CD 126.CD} 49.441 1.080 1.543 18.670 3.766 0 0 1203 {74.HD2} 6.624 0.012 0.020 {70.HB3} 2.003 0.084 0.161 {74.CD2} 49.611 0.850 1.487 26.434 5.558 0 0 1204 {?} 6.629 0.053 0.160 {?} 1.769 0.106 0.239 {?} 49.578 1.710 2.442 46.861 6.877 0 0 1205 {?} 4.662 0.015 0.008 {?} 1.751 0.171 0.088 {?} 49.329 0.651 0.349 49.947 2.914 0 0 1206 {?} 4.660 0.038 0.049 {?} 1.617 0.155 0.190 {?} 49.336 1.023 1.333 92.061 4.509 0 0 1207 {74.HD2} 6.627 0.035 0.052 {71.HB3} 1.559 0.118 0.152 {74.CD2} 49.446 2.297 3.281 24.838 5.578 0 0 1208 {?} 4.661 0.040 0.037 {?} -0.638 0.132 0.121 {?} 49.459 1.135 0.988 130.519 5.524 0 0 1209 {?} 6.931 0.043 0.031 {?} 6.960 0.128 0.107 {?} 48.955 1.083 0.809 878.817 2.908 0 0 1210 {?} 6.284 0.027 0.037 {?} 6.086 0.137 0.185 {?} 48.838 1.043 1.638 4.066 70.529 0 0 1211 {?} 3.937 0.027 0.037 {?} 9.196 0.137 0.185 {?} 47.855 1.043 1.638 68.477 70.529 0 0 1212 {?} 3.948 0.036 0.046 {?} 8.704 0.104 0.151 {?} 47.772 0.940 1.258 499.185 8.559 0 0 1213 {?} 3.463 0.020 0.028 {?} 8.692 0.112 0.190 {?} 47.773 0.945 1.501 195.870 2.915 0 0 1214 {?} 1.099 0.038 0.077 {?} 7.124 0.067 0.147 {?} 47.844 0.896 1.924 55.021 6.074 0 0 1215 {?} 6.588 0.038 0.077 {?} 6.594 0.067 0.147 {?} 47.602 0.896 1.924 201.815 5.574 0 0 1216 {?} 3.451 0.013 0.024 {?} 4.574 0.079 0.150 {?} 47.746 1.240 2.087 86.114 4.309 0 0 1217 {?} 3.458 0.041 0.106 {?} 3.963 0.118 0.209 {?} 47.846 1.409 2.013 112.571 2.057 0 0 1218 {?} 3.950 0.012 0.018 {?} 3.474 0.075 0.108 {?} 47.764 0.643 0.924 114.393 13.980 0 0 1219 {?} 3.461 0.043 0.035 {?} 3.475 0.091 0.077 {?} 47.834 0.937 0.796 289.588 2.596 0 0 1220 {?} 3.458 0.040 0.114 {?} 3.277 0.093 0.230 {?} 47.830 0.778 2.254 47.924 5.490 0 0 1221 {?} 2.518 0.040 0.114 {?} 2.534 0.093 0.230 {?} 47.666 0.778 2.254 1105.196 7.320 0 0 1222 {?} 1.102 0.016 0.025 {?} 2.533 0.099 0.171 {?} 47.629 0.734 1.167 94.123 22.208 0 0 1223 {?} 2.218 0.050 0.083 {?} 2.254 0.205 0.294 {?} 47.794 0.655 2.058 11.019 2.319 0 0 1224 {63.HA3 144.HA2} 3.955 0.039 0.118 {45.HD3 146.HB2} 1.773 0.092 0.208 {63.CA 144.CA} 47.713 1.160 2.094 201.774 5.250 0 0 1225 {?} 3.458 0.041 0.107 {?} 1.759 0.114 0.163 {?} 47.815 0.870 2.174 290.794 3.659 0 0 1226 {?} 3.456 0.041 0.107 {?} 1.216 0.114 0.163 {?} 47.828 0.870 2.174 125.281 5.532 0 0 1227 {?} 3.459 0.016 0.022 {?} 0.961 0.084 0.112 {?} 47.846 1.317 1.584 97.626 2.123 0 0 1228 {144.HA3} 3.841 0.046 0.027 {145.H} 9.038 0.098 0.056 {144.CA} 47.350 0.972 0.557 277.233 4.371 0 0 1229 {144.HA2} 3.980 0.044 0.121 {145.H} 9.010 0.104 0.221 {144.CA} 47.330 0.866 2.194 26.293 30.968 0 0 1230 {?} 4.010 0.044 0.121 {?} 8.781 0.104 0.221 {?} 47.298 0.866 2.194 197.570 176.453 0 0 1231 {?} 3.847 0.044 0.121 {?} 8.564 0.104 0.221 {?} 47.372 0.866 2.194 140.548 14.928 0 0 1232 {144.HA2} 3.975 0.044 0.133 {146.H} 8.426 0.078 0.232 {144.CA} 47.462 1.165 1.986 74.816 11.632 0 0 1233 {?} 4.244 0.047 0.074 {?} 7.828 0.136 0.177 {?} 47.176 0.834 1.137 48.890 2.232 0 0 1234 {?} 4.004 0.040 0.091 {?} 7.682 0.083 0.203 {?} 47.299 1.177 2.038 653.873 4.048 0 0 1235 {?} 4.252 0.029 0.022 {?} 7.370 0.065 0.047 {?} 47.115 0.861 0.626 276.822 166.628 0 0 1236 {?} 4.246 0.045 0.079 {?} 6.573 0.072 0.115 {?} 47.145 1.262 1.900 32.532 11.667 0 0 1237 {?} 3.978 0.039 0.045 {?} 6.588 0.077 0.095 {?} 47.223 0.730 0.895 64.600 4.932 0 0 1238 {15.HA2} 4.041 0.044 0.099 {14.HA} 4.682 0.099 0.202 {15.CA} 47.396 0.877 2.010 301.265 4.523 0 0 1239 {94.HA3} 3.978 0.042 0.052 {94.HA2} 4.241 0.113 0.175 {94.CA} 47.127 0.907 1.346 4133.146 13.092 0 0 1240 {94.HA2} 4.240 0.011 0.016 {94.HA3} 4.016 0.076 0.037 {94.CA} 47.221 0.669 0.329 57.346 85.334 0 0 1241 {?} 3.572 0.011 0.016 {?} 3.584 0.076 0.037 {?} 47.257 0.669 0.329 131.321 85.334 0 0 1242 {?} 3.836 0.011 0.016 {?} 3.462 0.076 0.037 {?} 47.448 0.669 0.329 33.919 85.334 0 0 1243 {63.HA3} 3.987 0.038 0.062 {45.HE3} 3.254 0.094 0.124 {63.CA} 47.391 0.886 1.161 68.129 8.560 0 0 1244 {?} 3.843 0.036 0.065 {?} 3.277 0.107 0.189 {?} 47.231 0.954 1.875 72.238 1.768 0 0 1245 {94.HA2} 4.253 0.042 0.080 {107.HB2} 2.758 0.189 0.270 {94.CA} 47.351 1.220 2.068 39.357 2.920 0 0 1246 {?} 3.982 0.016 0.013 {?} 2.710 0.101 0.085 {?} 47.187 0.833 0.697 155.418 3.519 0 0 1247 {?} 3.970 0.015 0.024 {?} 2.505 0.088 0.054 {?} 47.211 0.938 0.571 187.768 2.310 0 0 1248 {144.HA3} 3.840 0.037 0.085 {140.HB} 2.132 0.126 0.210 {144.CA} 47.361 1.159 1.944 115.031 2.243 0 0 1249 {42.HA2} 4.238 0.042 0.098 {128.HB3} 2.026 0.111 0.228 {42.CA} 47.062 0.892 2.029 167.922 2.068 0 0 1250 {?} 3.983 0.030 0.023 {?} 2.059 0.077 0.040 {?} 47.185 0.849 0.441 477.970 2.058 0 0 1251 {?} 3.980 0.035 0.046 {?} 1.522 0.084 0.096 {?} 47.165 0.963 1.099 753.016 2.749 0 0 1252 {?} 3.837 0.049 0.127 {?} 1.504 0.077 0.185 {?} 47.419 1.337 2.125 383.599 1.807 0 0 1253 {?} 3.839 0.044 0.061 {?} 1.045 0.096 0.150 {?} 47.367 0.987 1.398 487.765 4.101 0 0 1254 {?} 4.240 0.044 0.162 {?} 0.742 0.113 0.200 {?} 47.131 1.222 1.746 226.203 3.406 0 0 1255 {144.HA2 144.HA2} 3.980 0.044 0.162 {140.HG11 140.HG13} 0.740 0.113 0.200 {144.CA 144.CA} 47.043 1.222 1.746 413.450 2.183 0 0 1256 {144.HA2 144.HA2 144.HA2} 3.977 0.010 0.018 {16.HG21 16.HG22 16.HG23} 0.244 0.108 0.186 {144.CA 144.CA 144.CA} 47.352 0.728 1.354 129.009 7.394 0 0 1257 {144.HA3 144.HA3 144.HA3} 3.839 0.039 0.049 {16.HG21 16.HG22 16.HG23} 0.237 0.110 0.145 {144.CA 144.CA 144.CA} 47.303 1.049 1.603 136.728 2.002 0 0 1258 {?} 1.437 0.047 0.083 {?} 9.367 0.131 0.221 {?} 46.580 0.806 1.586 141.546 10.211 0 0 1259 {?} 1.368 0.039 0.078 {?} 9.315 0.094 0.184 {?} 46.710 0.812 1.581 18.305 1.845 0 0 1260 {?} 4.230 0.037 0.050 {?} 9.212 0.121 0.169 {?} 46.721 0.774 1.124 138.152 6.460 0 0 1261 {?} 3.158 0.046 0.042 {?} 9.213 0.052 0.105 {?} 46.770 1.505 1.456 160.686 31.464 0 0 1262 {?} 3.911 0.037 0.100 {?} 9.067 0.113 0.175 {?} 46.513 1.172 2.079 237.243 2.388 0 0 1263 {?} 3.766 0.012 0.022 {?} 9.075 0.110 0.191 {?} 46.656 0.989 1.742 204.164 5.720 0 0 1264 {?} 1.660 0.048 0.105 {?} 8.873 0.209 0.298 {?} 46.611 1.080 2.048 122.054 4.721 0 0 1265 {?} 0.985 0.048 0.105 {?} 8.871 0.209 0.298 {?} 46.528 1.080 2.048 150.532 2.183 0 0 1266 {?} 4.232 0.016 0.003 {?} 8.769 0.127 0.025 {?} 46.701 0.482 0.098 337.206 8.279 0 0 1267 {?} 3.895 0.016 0.003 {?} 8.762 0.127 0.025 {?} 46.662 0.482 0.098 160.854 8.279 0 0 1268 {?} 3.772 0.016 0.003 {?} 8.765 0.127 0.025 {?} 46.668 0.482 0.098 57.465 8.279 0 0 1269 {?} 3.155 0.045 0.074 {?} 8.766 0.090 0.187 {?} 46.797 0.831 1.712 49.967 9.174 0 0 1270 {?} 3.912 0.033 0.038 {?} 8.004 0.131 0.149 {?} 46.598 1.263 1.433 2231.559 2.615 0 0 1271 {?} 3.769 0.055 0.100 {?} 8.003 0.143 0.241 {?} 46.589 0.927 1.792 424.209 12.903 0 0 1272 {?} 0.994 0.055 0.100 {?} 7.567 0.143 0.241 {?} 46.654 0.927 1.792 71.884 12.903 0 0 1273 {?} 4.026 0.057 0.060 {?} 7.454 0.115 0.120 {?} 46.633 0.972 1.016 553.664 9.598 0 0 1274 {?} 3.965 0.054 0.092 {?} 7.445 0.087 0.180 {?} 46.703 0.942 1.863 736.241 8.939 0 0 1275 {?} 0.994 0.024 0.023 {?} 7.089 0.155 0.154 {?} 46.581 0.806 0.798 84.952 66.328 0 0 1276 {?} 1.660 0.061 0.070 {?} 5.159 0.118 0.147 {?} 46.533 0.741 0.903 178.830 2.948 0 0 1277 {117.HB3} 0.986 0.038 0.046 {158.HA} 5.177 0.048 0.129 {117.CB} 46.561 0.836 1.001 78.886 4.040 0 0 1278 {?} 1.653 0.054 0.114 {?} 4.898 0.104 0.233 {?} 46.495 0.908 2.184 37.143 3.640 0 0 1279 {117.HB3} 0.989 0.048 0.090 {117.HA} 4.885 0.108 0.188 {117.CB} 46.697 1.152 1.969 50.534 3.324 0 0 1280 {42.HA2} 4.221 0.038 0.028 {43.HA} 4.690 0.133 0.080 {42.CA} 46.827 1.110 0.709 71.400 3.644 0 0 1281 {42.HA3} 3.164 0.027 0.022 {43.HA} 4.698 0.188 0.159 {42.CA} 46.792 0.959 0.746 58.131 2.025 0 0 1282 {?} 3.898 0.046 0.090 {?} 4.370 0.094 0.198 {?} 46.540 0.989 1.877 259.273 2.463 0 0 1283 {42.HA2 94.HA2} 4.237 0.044 0.068 {42.HA2 94.HA2} 4.249 0.129 0.164 {42.CA 94.CA} 46.864 1.183 1.518 856.369 2.386 0 0 1284 {42.HA3} 3.153 0.047 0.057 {42.HA2} 4.245 0.130 0.171 {42.CA} 46.717 0.976 1.267 342.218 2.502 0 0 1285 {?} 3.913 0.020 0.005 {?} 3.921 0.105 0.024 {?} 46.577 1.333 0.309 3203.761 14.795 0 0 1286 {?} 3.767 0.024 0.025 {?} 3.915 0.091 0.098 {?} 46.579 0.994 1.065 3684.334 7.440 0 0 1287 {?} 3.901 0.024 0.025 {?} 3.774 0.091 0.098 {?} 46.580 0.994 1.065 6984.173 7.440 0 0 1288 {42.HA2} 4.233 0.024 0.025 {42.HA3} 3.163 0.091 0.098 {42.CA} 46.713 0.994 1.065 177.382 7.440 0 0 1289 {42.HA3} 3.154 0.043 0.064 {42.HA3} 3.161 0.126 0.202 {42.CA} 46.732 1.126 1.802 33.796 8.033 0 0 1290 {?} 3.033 0.034 0.041 {?} 3.047 0.104 0.133 {?} 46.695 0.799 0.968 65.307 13.888 0 0 1291 {94.HA2} 4.233 0.021 0.019 {1.HG2} 2.447 0.159 0.146 {94.CA} 46.795 0.972 0.859 26.864 7.016 0 0 1292 {?} 3.914 0.039 0.079 {?} 2.223 0.133 0.230 {?} 46.696 1.177 2.006 688.174 13.485 0 0 1293 {?} 3.764 0.046 0.058 {?} 2.220 0.094 0.104 {?} 46.537 0.988 1.097 45.280 4.680 0 0 1294 {117.HB3} 0.992 0.045 0.046 {156.HB2} 2.159 0.101 0.107 {117.CB} 46.555 0.846 0.890 2.161 4.630 0 0 1295 {104.HA3} 3.771 0.025 0.017 {93.HB2} 1.860 0.105 0.060 {104.CA} 46.541 1.208 0.722 200.942 1.980 0 0 1296 {?} 3.913 0.055 0.123 {?} 1.846 0.097 0.219 {?} 46.636 1.133 2.000 230.619 3.035 0 0 1297 {32.HA2} 4.015 0.048 0.089 {35.HB} 1.766 0.091 0.206 {32.CA} 46.568 1.017 2.045 578.787 2.563 0 0 1298 {?} 4.239 0.031 0.033 {?} 1.728 0.106 0.110 {?} 46.894 0.857 0.895 132.539 5.031 0 0 1299 {?} 1.658 0.031 0.033 {?} 1.653 0.106 0.110 {?} 46.510 0.857 0.895 593.633 5.031 0 0 1300 {117.HB3} 0.991 0.038 0.063 {158.HG12} 1.656 0.104 0.190 {117.CB} 46.573 1.077 1.649 230.745 4.907 0 0 1301 {?} 3.750 0.046 0.087 {?} 1.512 0.124 0.201 {?} 46.534 0.959 1.711 73.762 4.787 0 0 1302 {58.HB2} 2.139 0.037 0.056 {58.HB3} 1.455 0.108 0.146 {58.CB} 46.617 0.997 1.343 79.353 3.020 0 0 1303 {104.HA2} 4.028 0.027 0.024 {93.HB3} 1.296 0.153 0.143 {104.CA} 46.626 1.346 1.197 410.560 3.767 0 0 1304 {?} 3.769 0.024 0.016 {?} 1.012 0.126 0.099 {?} 46.594 0.980 0.742 109.404 2.852 0 0 1305 {117.HB3} 0.993 0.024 0.016 {117.HB3} 0.997 0.126 0.099 {117.CB} 46.583 0.980 0.742 151.859 3.119 0 0 1306 {?} 4.237 0.040 0.034 {?} 0.950 0.137 0.116 {?} 46.772 1.012 0.872 352.186 14.267 0 0 1307 {?} 4.006 0.042 0.041 {?} 0.955 0.055 0.118 {?} 46.497 0.931 0.904 352.036 1.950 0 0 1308 {?} 3.157 0.036 0.035 {?} 0.955 0.066 0.135 {?} 46.751 0.686 0.657 65.453 7.416 0 0 1309 {?} 1.659 0.045 0.175 {?} 0.967 0.085 0.228 {?} 46.541 1.229 1.755 149.181 19.184 0 0 1310 {58.HB2 58.HB2 58.HB2} 2.138 0.015 0.029 {58.HD21 58.HD22 58.HD23} 0.901 0.087 0.199 {58.CB 58.CB 58.CB} 46.549 1.036 1.867 265.912 2.691 0 0 1311 {58.HB3 58.HB3 58.HB3} 1.438 0.025 0.028 {58.HD21 58.HD22 58.HD23} 0.900 0.034 0.039 {58.CB 58.CB 58.CB} 46.529 0.269 0.309 296.162 2.034 0 0 1312 {104.HA3} 3.752 0.035 0.023 {95.HG12} 0.838 0.043 0.067 {104.CA} 46.582 1.146 0.822 152.407 7.334 0 0 1313 {104.HA2 104.HA2 104.HA2} 4.045 0.013 0.021 {93.HD21 93.HD22 93.HD23} 0.665 0.072 0.036 {104.CA 104.CA 104.CA} 46.540 1.032 0.509 190.520 6.300 0 0 1314 {?} 4.025 0.023 0.026 {?} 0.647 0.140 0.166 {?} 46.533 0.932 1.088 136.884 5.024 0 0 1315 {32.HA2 32.HA3 32.HA2 32.HA3 32.HA2 32.HA3} 4.002 0.039 0.093 {35.HD11 35.HD11 35.HD12 35.HD12 35.HD13 35.HD13} 0.348 0.095 0.224 {32.CA 32.CA 32.CA 32.CA 32.CA 32.CA} 46.503 1.063 2.080 97.524 2.491 0 0 1316 {?} 1.667 0.040 0.090 {?} 9.520 0.118 0.225 {?} 46.118 0.942 1.761 24.138 7.532 0 0 1317 {?} 2.149 0.035 0.040 {?} 9.361 0.096 0.115 {?} 46.426 0.917 1.101 1.826 6.958 0 0 1318 {153.HA3} 3.839 0.035 0.040 {154.H} 7.953 0.096 0.115 {153.CA} 46.207 0.917 1.101 9.914 6.958 0 0 1319 {32.HA2 32.HA3} 4.021 0.054 0.061 {32.H 32.H} 7.928 0.138 0.165 {32.CA 32.CA} 46.322 1.166 1.355 321.597 3.930 0 0 1320 {104.HA3} 3.750 0.044 0.075 {103.H} 7.565 0.098 0.178 {104.CA} 46.389 1.115 1.772 32.694 3.657 0 0 1321 {?} 2.115 0.052 0.084 {?} 7.574 0.115 0.197 {?} 46.296 1.191 1.844 29.176 2.181 0 0 1322 {?} 1.671 0.040 0.039 {?} 7.427 0.057 0.124 {?} 46.098 1.231 1.219 29.574 3.466 0 0 1323 {?} 1.445 0.041 0.063 {?} 7.187 0.118 0.169 {?} 46.440 1.248 1.674 49.047 3.834 0 0 1324 {104.HA2} 4.024 0.053 0.076 {107.HD21} 7.146 0.189 0.308 {104.CA} 46.294 1.190 1.678 83.086 2.789 0 0 1325 {104.HA3} 3.827 0.050 0.077 {107.HD21} 7.145 0.122 0.178 {104.CA} 46.175 1.017 1.639 20.537 3.384 0 0 1326 {153.HA3} 3.841 0.050 0.077 {153.HA3} 3.851 0.122 0.178 {153.CA} 46.196 1.017 1.639 467.020 3.384 0 0 1327 {153.HA3} 3.803 0.043 0.043 {153.HA3} 3.815 0.142 0.141 {153.CA} 46.207 0.805 0.800 675.023 4.613 0 0 1328 {58.HB3} 1.439 0.041 0.199 {115.HB2} 3.030 0.090 0.128 {58.CB} 46.247 1.135 1.789 33.516 4.705 0 0 1329 {49.HB2} 1.430 0.041 0.199 {57.HB3} 2.664 0.090 0.128 {49.CB} 45.953 1.135 1.789 33.940 7.300 0 0 1330 {?} 1.665 0.014 0.027 {?} 2.166 0.082 0.164 {?} 46.407 1.005 1.859 32.733 7.036 0 0 1331 {58.HB3} 1.445 0.029 0.029 {58.HB2} 2.155 0.110 0.110 {58.CB} 46.442 0.696 0.693 129.047 46.414 0 0 1332 {153.HA2} 4.020 0.029 0.029 {152.HB2} 1.541 0.110 0.110 {153.CA} 46.380 0.696 0.693 65.542 46.414 0 0 1333 {?} 1.552 0.050 0.077 {?} 1.561 0.124 0.184 {?} 46.154 1.018 1.768 17.724 36.211 0 0 1334 {58.HB3} 1.435 0.050 0.077 {58.HB3} 1.477 0.124 0.184 {58.CB} 46.146 1.018 1.768 64.013 36.211 0 0 1335 {?} 3.939 0.050 0.077 {?} 0.354 0.124 0.184 {?} 46.432 1.018 1.768 375.394 7.809 0 0 1336 {?} 2.114 0.051 0.076 {?} 9.365 0.145 0.225 {?} 45.681 0.993 1.548 132.759 31.255 0 0 1337 {?} 1.787 0.038 0.051 {?} 8.609 0.136 0.164 {?} 45.533 1.014 1.358 3.903 4.496 0 0 1338 {21.HB2} 2.113 0.025 0.015 {21.HA} 4.849 0.128 0.074 {21.CB} 45.534 1.092 0.630 138.200 3.604 0 0 1339 {21.HB3} 1.793 0.042 0.089 {21.HA} 4.844 0.149 0.212 {21.CB} 45.452 1.148 2.039 100.688 4.043 0 0 1340 {?} 4.000 0.038 0.034 {?} 4.019 0.044 0.084 {?} 45.569 1.291 1.154 8978.419 3.880 0 0 1341 {?} 3.294 0.037 0.056 {?} 3.301 0.113 0.162 {?} 45.370 1.046 1.696 671.439 2.325 0 0 1342 {?} 2.107 0.032 0.055 {?} 2.511 0.088 0.183 {?} 45.541 1.157 1.817 142.062 4.692 0 0 1343 {?} 2.362 0.032 0.055 {?} 2.378 0.088 0.183 {?} 45.604 1.157 1.817 35.399 4.692 0 0 1344 {21.HB3} 1.790 0.041 0.087 {21.HB2} 2.137 0.122 0.231 {21.CB} 45.452 1.101 2.115 628.092 3.881 0 0 1345 {21.HB3} 1.720 0.019 0.016 {21.HB2} 2.140 0.121 0.089 {21.CB} 45.447 0.904 0.667 94.917 12.173 0 0 1346 {21.HB2} 2.114 0.019 0.016 {21.HB3} 1.782 0.121 0.089 {21.CB} 45.504 0.904 0.667 41.524 12.173 0 0 1347 {21.HB2} 2.112 0.033 0.056 {21.HD11} 1.112 0.078 0.112 {21.CB} 45.440 1.250 1.734 723.067 8.201 0 0 1348 {21.HB3 21.HB3} 1.789 0.045 0.055 {21.HD11 21.HD12} 1.119 0.094 0.113 {21.CB 21.CB} 45.442 1.306 1.513 1292.209 13.104 0 0 1349 {49.HB3 49.HB3 49.HB3 81.HB2 81.HB2 81.HB2} 1.674 0.045 0.055 {49.HD21 49.HD22 49.HD23 81.HD21 81.HD22 81.HD23} 0.424 0.094 0.113 {49.CB 49.CB 49.CB 81.CB 81.CB 81.CB} 45.523 1.306 1.513 304.125 13.104 0 0 1350 {49.HB2 49.HB2} 1.429 0.040 0.054 {49.HD21 49.HD22} 0.433 0.079 0.116 {49.CB 49.CB} 45.884 1.017 1.538 169.160 12.610 0 0 1351 {?} 7.849 0.040 0.054 {?} 11.137 0.079 0.116 {?} 45.138 1.017 1.538 27.029 12.610 0 0 1352 {?} 1.783 0.040 0.054 {?} 9.378 0.079 0.116 {?} 45.198 1.017 1.538 105.830 12.610 0 0 1353 {?} 3.452 0.024 0.018 {?} 9.161 0.138 0.101 {?} 45.097 1.068 0.664 80.303 8.537 0 0 1354 {?} 1.063 0.024 0.018 {?} 8.723 0.138 0.101 {?} 45.207 1.068 0.664 39.173 8.537 0 0 1355 {?} 4.492 0.027 0.034 {?} 8.229 0.037 0.109 {?} 45.022 1.070 1.628 16.666 7.292 0 0 1356 {54.HA2} 4.396 0.027 0.034 {55.H} 8.234 0.037 0.109 {54.CA} 45.150 1.070 1.628 624.282 7.292 0 0 1357 {54.HA3} 3.462 0.047 0.112 {55.H} 8.245 0.109 0.289 {54.CA} 45.137 1.028 1.469 693.215 11.518 0 0 1358 {?} 1.821 0.039 0.102 {?} 7.835 0.113 0.200 {?} 45.118 1.190 1.700 45.210 14.494 0 0 1359 {93.HB3} 1.291 0.015 0.026 {104.H} 7.812 0.117 0.206 {93.CB} 45.026 0.976 1.842 19.296 2.745 0 0 1360 {?} 1.788 0.041 0.079 {?} 7.407 0.096 0.223 {?} 45.191 1.196 1.965 65.787 3.784 0 0 1361 {?} 1.280 0.022 0.017 {?} 7.402 0.091 0.063 {?} 45.294 0.924 0.637 40.127 3.951 0 0 1362 {93.HB3} 1.291 0.032 0.054 {93.HA} 4.914 0.135 0.178 {93.CB} 45.261 1.069 1.337 176.222 22.329 0 0 1363 {21.HB3} 1.770 0.032 0.054 {21.HA} 4.856 0.135 0.178 {21.CB} 45.210 1.069 1.337 162.741 22.329 0 0 1364 {79.HA2} 4.483 0.032 0.054 {79.HA2} 4.475 0.135 0.178 {79.CA} 44.944 1.069 1.337 227.336 22.329 0 0 1365 {54.HA2} 4.395 0.017 0.055 {54.HA2} 4.406 0.069 0.191 {54.CA} 45.197 1.075 2.129 710.926 3.175 0 0 1366 {54.HA3} 3.462 0.043 0.081 {54.HA2} 4.416 0.109 0.218 {54.CA} 45.139 1.093 1.839 301.842 2.057 0 0 1367 {54.HA2} 4.396 0.029 0.038 {54.HA3} 3.476 0.107 0.274 {54.CA} 45.153 1.136 1.484 363.409 3.044 0 0 1368 {79.HA3} 3.452 0.042 0.061 {51.HB2} 3.042 0.120 0.171 {79.CA} 45.020 1.341 1.656 147.048 2.216 0 0 1369 {?} 7.696 0.038 0.081 {?} 2.481 0.115 0.241 {?} 45.001 1.039 1.484 8.446 3.107 0 0 1370 {54.HA2} 4.401 0.037 0.094 {55.HB2} 2.436 0.099 0.234 {54.CA} 45.175 1.173 2.028 23.896 7.744 0 0 1371 {54.HA2} 4.391 0.014 0.025 {53.HB2} 2.111 0.100 0.192 {54.CA} 45.278 1.059 1.692 137.342 6.504 0 0 1372 {93.HB3} 1.298 0.014 0.025 {95.HB} 2.066 0.100 0.192 {93.CB} 45.221 1.059 1.692 182.766 6.504 0 0 1373 {?} 4.392 0.014 0.025 {?} 1.936 0.100 0.192 {?} 44.911 1.059 1.692 77.397 6.504 0 0 1374 {93.HB3} 1.280 0.026 0.010 {93.HB2} 1.857 0.124 0.042 {93.CB} 45.171 0.730 0.491 140.887 6.834 0 0 1375 {21.HB3 93.HB2} 1.788 0.021 0.021 {21.HB3 93.HB2} 1.797 0.103 0.103 {21.CB 93.CB} 45.264 1.000 0.997 709.758 2.196 0 0 1376 {21.HB3} 1.718 0.051 0.056 {21.HB3} 1.766 0.102 0.119 {21.CB} 45.266 0.876 1.023 351.305 3.143 0 0 1377 {81.HB3} 1.057 0.036 0.028 {81.HB2} 1.715 0.142 0.108 {81.CB} 45.276 1.180 0.865 509.256 3.428 0 0 1378 {?} 4.392 0.040 0.032 {?} 1.648 0.102 0.183 {?} 45.148 0.749 0.520 192.090 2.049 0 0 1379 {?} 1.713 0.026 0.017 {?} 1.490 0.144 0.223 {?} 45.234 1.327 0.750 272.083 1.819 0 0 1380 {?} 4.390 0.008 0.010 {?} 1.454 0.149 0.079 {?} 45.054 1.271 0.731 88.709 2.119 0 0 1381 {93.HB3} 1.273 0.025 0.024 {93.HB3} 1.294 0.113 0.228 {93.CB} 45.160 1.335 1.257 63.985 1.767 0 0 1382 {?} 4.400 0.017 0.007 {?} 1.191 0.052 0.044 {?} 45.114 1.223 0.474 38.590 19.311 0 0 1383 {?} 3.455 0.043 0.053 {?} 1.171 0.096 0.139 {?} 45.156 0.894 1.173 93.807 4.230 0 0 1384 {81.HB2} 1.707 0.028 0.034 {81.HB3} 1.080 0.134 0.161 {81.CB} 45.241 0.907 1.035 499.877 1.569 0 0 1385 {81.HB3} 1.061 0.024 0.019 {81.HB3} 1.064 0.052 0.075 {81.CB} 45.323 0.963 0.635 553.470 120.000 0 0 1386 {93.HB2 93.HB2 93.HB2} 1.797 0.037 0.075 {93.HD11 93.HD12 93.HD13} 0.802 0.103 0.180 {93.CB 93.CB 93.CB} 45.076 0.858 1.624 1221.752 7.700 0 0 1387 {93.HB3 93.HB3} 1.291 0.045 0.024 {93.HD13 95.HG12} 0.797 0.114 0.061 {93.CB 93.CB} 45.172 1.288 0.675 530.209 7.602 0 0 1388 {81.HB2} 1.693 0.048 0.088 {81.HG} 0.667 0.089 0.196 {81.CB} 45.291 0.897 1.938 640.990 7.133 0 0 1389 {81.HB3 81.HB3} 1.058 0.015 0.020 {49.HD12 81.HG} 0.672 0.094 0.039 {81.CB 81.CB} 45.186 0.897 0.371 359.438 2.203 0 0 1390 {93.HB2 93.HB2 93.HB2} 1.801 0.037 0.069 {95.HG21 95.HG22 95.HG23} 0.530 0.125 0.202 {93.CB 93.CB 93.CB} 45.013 1.302 2.151 125.346 2.095 0 0 1391 {93.HB3 93.HB3 93.HB3} 1.295 0.041 0.131 {95.HG21 95.HG22 95.HG23} 0.545 0.072 0.163 {93.CB 93.CB 93.CB} 45.122 1.654 2.363 2.868 3.146 0 0 1392 {81.HB2 81.HB2 81.HB2 81.HB2 81.HB2} 1.692 0.021 0.032 {49.HD21 49.HD23 81.HD21 81.HD22 81.HD23} 0.415 0.145 0.115 {81.CB 81.CB 81.CB 81.CB 81.CB} 45.284 0.392 0.668 5.340 40.239 0 0 1393 {81.HB3 81.HB3 81.HB3} 1.056 0.038 0.064 {81.HD21 81.HD22 81.HD23} 0.413 0.099 0.173 {81.CB 81.CB 81.CB} 45.169 0.815 1.222 194.383 2.237 0 0 1394 {?} 1.766 0.045 0.056 {?} 9.767 0.118 0.201 {?} 44.602 0.812 1.121 96.406 2.088 0 0 1395 {?} 1.512 0.014 0.009 {?} 9.769 0.113 0.074 {?} 44.730 0.364 0.240 31.380 3.233 0 0 1396 {?} 1.509 0.042 0.074 {?} 9.477 0.151 0.255 {?} 44.594 0.861 1.536 32.242 2.962 0 0 1397 {4.HD2 4.HD3} 3.156 0.045 0.085 {4.HE 4.HE} 7.558 0.122 0.198 {4.CD 4.CD} 44.355 0.874 1.665 55.361 1.825 0 0 1398 {?} 1.990 0.050 0.044 {?} 7.094 0.146 0.128 {?} 44.386 1.023 0.901 74.528 1.816 0 0 1399 {129.HB3} 1.995 0.050 0.044 {102.H} 5.915 0.146 0.128 {129.CB} 44.443 1.023 0.901 31.503 1.816 0 0 1400 {118.HB2 118.HB3} 3.199 0.069 0.120 {61.HA 61.HA} 5.230 0.091 0.206 {118.CB 118.CB} 44.456 0.892 1.875 53.156 3.917 0 0 1401 {47.HB2} 1.510 0.041 0.075 {47.HA} 4.946 0.103 0.177 {47.CB} 44.693 0.767 1.540 48.150 2.684 0 0 1402 {?} 2.823 0.036 0.069 {?} 4.841 0.076 0.129 {?} 44.548 0.789 1.606 38.909 2.352 0 0 1403 {?} 2.884 0.072 0.225 {?} 4.802 0.112 0.160 {?} 44.654 0.961 2.165 202.323 2.483 0 0 1404 {?} 2.801 0.072 0.225 {?} 4.811 0.112 0.160 {?} 44.593 0.961 2.165 124.918 2.758 0 0 1405 {?} 3.594 0.044 0.062 {?} 3.605 0.129 0.132 {?} 44.455 1.478 1.492 449.490 1.478 0 0 1406 {129.HB3} 1.984 0.044 0.062 {129.HB2} 3.169 0.129 0.132 {129.CB} 44.425 1.478 1.492 137.406 1.478 0 0 1407 {?} 2.796 0.044 0.062 {?} 2.852 0.129 0.132 {?} 44.627 1.478 1.492 849.058 1.478 0 0 1408 {?} 2.802 0.067 0.083 {?} 2.602 0.148 0.249 {?} 44.541 0.677 0.864 110.237 2.976 0 0 1409 {?} 2.812 0.067 0.083 {?} 2.159 0.148 0.249 {?} 44.549 0.677 0.864 11.206 2.976 0 0 1410 {129.HB3} 1.980 0.067 0.083 {129.HB3} 2.011 0.148 0.249 {129.CB} 44.372 0.677 0.864 87.031 2.976 0 0 1411 {47.HB2 47.HB2} 1.510 0.040 0.045 {47.HB3 47.HG} 1.800 0.129 0.185 {47.CB 47.CB} 44.667 0.802 0.959 116.496 2.719 0 0 1412 {79.HA3} 3.438 0.059 0.067 {52.HB3} 1.519 0.086 0.214 {79.CA} 44.663 0.916 1.026 230.555 3.088 0 0 1413 {47.HB3} 1.778 0.037 0.046 {47.HB2} 1.518 0.068 0.191 {47.CB} 44.687 0.821 0.983 217.376 2.507 0 0 1414 {47.HB2} 1.518 0.037 0.046 {47.HB2} 1.518 0.068 0.191 {47.CB} 44.669 0.821 0.983 157.071 2.507 0 0 1415 {?} 1.988 0.026 0.037 {?} 0.989 0.096 0.053 {?} 44.567 0.662 0.367 60.677 1.728 0 0 1416 {?} 1.511 0.026 0.037 {?} 0.920 0.096 0.053 {?} 44.627 0.662 0.367 61.325 1.728 0 0 1417 {47.HB2 47.HB2 47.HB2} 1.518 0.024 0.034 {49.HD21 49.HD22 49.HD23} 0.453 0.075 0.061 {47.CB 47.CB 47.CB} 44.725 0.358 0.640 34.434 2.122 0 0 1418 {?} 4.273 0.026 0.037 {?} 9.540 0.098 0.076 {?} 43.799 0.612 1.228 94.243 2.119 0 0 1419 {118.HB2 118.HB3} 3.199 0.035 0.030 {119.H 119.H} 9.539 0.050 0.092 {118.CB 118.CB} 43.941 0.998 0.828 188.351 2.734 0 0 1420 {?} 3.251 0.021 0.039 {?} 8.763 0.113 0.204 {?} 43.874 0.898 1.917 124.405 3.024 0 0 1421 {?} 4.211 0.071 0.124 {?} 8.747 0.116 0.227 {?} 43.889 0.877 1.640 269.212 2.184 0 0 1422 {?} 3.738 0.031 0.060 {?} 8.638 0.042 0.175 {?} 43.896 0.812 1.858 90.388 4.108 0 0 1423 {?} 3.246 0.072 0.207 {?} 8.564 0.126 0.181 {?} 43.800 0.823 1.768 210.409 2.079 0 0 1424 {?} 3.197 0.072 0.207 {?} 7.569 0.126 0.181 {?} 44.195 0.823 1.768 247.765 1.603 0 0 1425 {?} 7.190 0.038 0.059 {?} 7.188 0.041 0.224 {?} 43.743 0.783 1.366 461.444 1.957 0 0 1426 {?} 4.291 0.074 0.176 {?} 7.207 0.041 0.239 {?} 43.920 0.874 1.918 101.601 6.062 0 0 1427 {118.HB3} 3.195 0.074 0.176 {121.H} 7.200 0.041 0.239 {118.CB} 43.949 0.874 1.918 672.613 5.927 0 0 1428 {51.HB3} 2.605 0.074 0.176 {51.HA} 5.595 0.041 0.239 {51.CB} 43.995 0.874 1.918 67.140 1.553 0 0 1429 {84.HA2} 3.224 0.044 0.060 {85.HA} 4.849 0.126 0.176 {84.CA} 44.148 0.825 1.133 159.563 8.379 0 0 1430 {?} 3.111 0.039 0.060 {?} 4.846 0.206 0.268 {?} 44.099 0.719 0.983 118.925 2.487 0 0 1431 {41.HA2} 4.214 0.054 0.019 {40.HA} 4.668 0.067 0.076 {41.CA} 43.961 0.904 0.472 17.136 11.908 0 0 1432 {41.HA3} 3.746 0.023 0.025 {40.HA} 4.679 0.116 0.131 {41.CA} 43.923 0.397 0.424 47.773 11.803 0 0 1433 {84.HA2 129.HB2} 3.180 0.034 0.031 {83.HA 129.HA} 4.682 0.146 0.128 {84.CA 129.CB} 44.121 0.903 0.775 99.600 12.279 0 0 1434 {84.HA3} 4.281 0.034 0.031 {84.HA3} 4.302 0.146 0.128 {84.CA} 43.956 0.903 0.775 157.552 2.496 0 0 1435 {84.HA2} 3.201 0.049 0.060 {84.HA3} 4.286 0.054 0.177 {84.CA} 43.959 1.000 1.747 1061.027 50.655 0 0 1436 {41.HA2} 4.209 0.055 0.104 {41.HA2} 4.227 0.063 0.214 {41.CA} 43.870 0.857 1.203 248.359 8.229 0 0 1437 {41.HA3} 3.738 0.055 0.097 {41.HA2} 4.223 0.082 0.242 {41.CA} 43.884 0.862 1.197 268.444 1.985 0 0 1438 {147.HD2} 3.244 0.045 0.045 {147.HA} 4.238 0.113 0.116 {147.CD} 43.843 0.678 0.699 489.678 5.937 0 0 1439 {?} 4.281 0.045 0.045 {?} 3.574 0.113 0.116 {?} 43.954 0.678 0.699 219.824 5.937 0 0 1440 {147.HD3} 3.422 0.039 0.047 {147.HD3} 3.434 0.156 0.213 {147.CD} 43.764 0.891 1.089 3296.667 5.875 0 0 1441 {41.HA2} 4.203 0.044 0.044 {126.HD2} 3.365 0.092 0.089 {41.CA} 43.947 1.938 1.900 103.000 4.373 0 0 1442 {41.HA3} 3.738 0.065 0.068 {126.HD2} 3.357 0.134 0.141 {41.CA} 43.884 0.802 0.852 21.565 3.662 0 0 1443 {147.HD3} 3.423 0.046 0.083 {147.HD2} 3.259 0.131 0.228 {147.CD} 43.767 1.099 2.029 1811.766 3.931 0 0 1444 {84.HA3} 4.276 0.023 0.012 {84.HA2} 3.204 0.103 0.052 {84.CA} 43.935 0.866 0.432 35.953 3.354 0 0 1445 {51.HB3} 2.629 0.039 0.071 {51.HB2} 3.036 0.103 0.190 {51.CB} 44.119 0.958 1.672 174.246 4.781 0 0 1446 {?} 3.743 0.044 0.086 {?} 2.435 0.130 0.212 {?} 43.901 0.955 2.006 136.888 2.001 0 0 1447 {112.HD2} 3.178 0.057 0.050 {110.HB3} 2.299 0.147 0.130 {112.CD} 44.075 1.302 1.224 1140.056 1.714 0 0 1448 {84.HA3} 4.289 0.011 0.006 {88.HB2} 2.259 0.129 0.072 {84.CA} 43.873 0.887 0.497 62.195 7.246 0 0 1449 {112.HD2} 3.214 0.052 0.075 {110.HB3} 2.283 0.121 0.188 {112.CD} 44.025 0.835 1.634 1717.112 8.583 0 0 1450 {147.HD3} 3.423 0.050 0.082 {147.HB2} 2.118 0.063 0.204 {147.CD} 43.770 0.870 1.450 670.655 3.973 0 0 1451 {129.HB2} 3.172 0.057 0.083 {129.HB3} 1.988 0.086 0.254 {129.CB} 44.103 0.949 1.410 1367.530 2.384 0 0 1452 {4.HD3 129.HB2} 3.105 0.033 0.048 {4.HB3 129.HB3} 2.002 0.043 0.079 {4.CD 129.CB} 44.077 1.419 1.241 656.201 2.673 0 0 1453 {41.HA2} 4.209 0.050 0.104 {40.HB3} 1.926 0.121 0.214 {41.CA} 43.918 0.824 1.514 78.679 2.321 0 0 1454 {41.HA3} 3.736 0.064 0.138 {40.HB3} 1.926 0.143 0.301 {41.CA} 43.935 0.873 1.592 172.848 11.727 0 0 1455 {?} 3.423 0.042 0.062 {?} 1.931 0.124 0.160 {?} 43.754 1.140 1.414 994.886 7.650 0 0 1456 {112.HD2} 3.245 0.064 0.073 {110.HB2} 1.939 0.152 0.179 {112.CD} 43.788 1.088 1.315 3402.552 19.724 0 0 1457 {147.HD3} 3.423 0.047 0.035 {147.HG3} 1.804 0.080 0.058 {147.CD} 43.777 1.195 0.870 709.672 1.899 0 0 1458 {112.HD2} 3.217 0.046 0.051 {112.HB3} 1.719 0.120 0.142 {112.CD} 44.066 0.987 1.141 4079.353 2.263 0 0 1459 {112.HD2} 3.175 0.025 0.077 {112.HB3} 1.715 0.116 0.148 {112.CD} 44.081 1.063 1.274 3028.303 1.896 0 0 1460 {?} 2.623 0.038 0.037 {?} 1.730 0.119 0.113 {?} 43.914 0.785 0.747 117.382 1.960 0 0 1461 {84.HA3 84.HA3} 4.283 0.058 0.082 {50.HB2 50.HD3} 1.680 0.141 0.164 {84.CA 84.CA} 43.961 0.960 1.090 113.630 2.428 0 0 1462 {?} 2.631 0.047 0.066 {?} 1.559 0.146 0.194 {?} 43.973 0.799 1.112 193.272 3.688 0 0 1463 {84.HA3} 4.285 0.041 0.054 {50.HB3} 1.323 0.127 0.175 {84.CA} 43.907 0.727 1.002 160.470 3.091 0 0 1464 {118.HB2} 3.216 0.062 0.093 {61.HB2} 1.180 0.116 0.232 {118.CB} 44.129 0.753 1.272 1411.348 3.595 0 0 1465 {118.HB2} 3.179 0.046 0.080 {61.HB2} 1.179 0.100 0.166 {118.CB} 44.126 0.809 1.588 1654.111 5.595 0 0 1466 {4.HD2 4.HD3 4.HD2 4.HD3} 3.107 0.052 0.202 {4.HG2 4.HG2 4.HG3 4.HG3} 1.131 0.079 0.219 {4.CD 4.CD 4.CD 4.CD} 44.077 1.135 1.622 1140.120 3.251 0 0 1467 {147.HD3} 3.423 0.054 0.220 {16.HG13} 1.074 0.099 0.141 {147.CD} 43.838 0.915 2.067 195.101 2.126 0 0 1468 {?} 3.208 0.051 0.124 {?} 0.850 0.194 0.305 {?} 44.100 0.809 1.621 664.003 2.755 0 0 1469 {?} 4.277 0.076 0.238 {?} 0.798 0.111 0.233 {?} 43.847 1.254 2.012 157.009 5.914 0 0 1470 {51.HB3} 2.636 0.047 0.060 {81.HG} 0.659 0.140 0.228 {51.CB} 43.876 0.898 1.219 81.511 6.167 0 0 1471 {51.HB3 51.HB3 51.HB3} 2.618 0.047 0.060 {81.HD21 81.HD22 81.HD23} 0.410 0.140 0.228 {51.CB 51.CB 51.CB} 43.948 0.898 1.219 159.167 6.167 0 0 1472 {147.HD3 147.HD3} 3.428 0.042 0.050 {16.HG21 16.HG22} 0.245 0.059 0.152 {147.CD 147.CD} 43.812 0.740 0.879 15.396 4.307 0 0 1473 {?} 4.274 0.042 0.050 {?} 8.723 0.059 0.152 {?} 43.598 0.740 0.879 18.685 4.307 0 0 1474 {?} 3.425 0.042 0.050 {?} 8.569 0.059 0.152 {?} 43.679 0.740 0.879 54.991 4.307 0 0 1475 {?} 3.283 0.036 0.049 {?} 7.686 0.132 0.207 {?} 43.629 1.060 1.438 117.096 4.218 0 0 1476 {?} 2.599 0.036 0.049 {?} 7.581 0.132 0.207 {?} 43.353 1.060 1.438 110.973 4.218 0 0 1477 {?} 3.289 0.036 0.049 {?} 7.407 0.132 0.207 {?} 43.395 1.060 1.438 252.719 4.218 0 0 1478 {?} 1.557 0.042 0.056 {?} 7.148 0.125 0.193 {?} 43.375 0.899 1.120 14.236 3.151 0 0 1479 {?} 1.427 0.049 0.041 {?} 7.151 0.056 0.102 {?} 43.315 0.696 0.577 12.367 1.477 0 0 1480 {152.HB3} 1.429 0.050 0.065 {152.HA} 4.271 0.109 0.170 {152.CB} 43.388 0.810 1.114 12.528 6.042 0 0 1481 {147.HD2} 3.308 0.036 0.095 {146.HA} 4.129 0.192 0.275 {147.CD} 43.485 1.087 1.435 5.337 4.245 0 0 1482 {?} 3.984 0.036 0.095 {?} 3.999 0.192 0.275 {?} 43.528 1.087 1.435 302.000 2.548 0 0 1483 {?} 3.287 0.051 0.097 {?} 3.632 0.084 0.359 {?} 43.487 0.905 1.926 10.596 2.190 0 0 1484 {?} 3.293 0.045 0.073 {?} 3.308 0.180 0.272 {?} 43.482 0.764 1.373 10547.191 3.046 0 0 1485 {?} 1.723 0.054 0.142 {?} 3.307 0.073 0.240 {?} 43.496 0.854 1.890 63.882 2.603 0 0 1486 {?} 1.653 0.091 0.202 {?} 3.306 0.211 0.301 {?} 43.468 0.827 1.837 6.192 2.547 0 0 1487 {28.HD2 28.HD3 147.HD2} 3.242 0.047 0.067 {28.HD2 28.HD3 147.HD2} 3.258 0.118 0.240 {28.CD 28.CD 147.CD} 43.647 1.114 1.796 652.028 2.127 0 0 1488 {28.HD2 28.HD3 84.HA2} 3.204 0.026 0.037 {28.HD2 28.HD3 84.HA2} 3.221 0.071 0.224 {28.CD 28.CD 84.CA} 43.624 0.905 1.733 4359.219 2.199 0 0 1489 {?} 3.294 0.049 0.123 {?} 2.481 0.080 0.301 {?} 43.507 0.798 1.626 126.568 2.560 0 0 1490 {?} 3.293 0.141 0.224 {?} 2.206 0.083 0.260 {?} 43.475 1.139 2.126 1064.931 22.282 0 0 1491 {?} 7.197 0.038 0.036 {?} 1.843 0.211 0.301 {?} 43.520 0.645 0.602 65.734 20.087 0 0 1492 {28.HD2 28.HD2 28.HD3 147.HD2} 3.293 0.042 0.057 {28.HB3 28.HG2 28.HG2 147.HG2} 1.721 0.043 0.116 {28.CD 28.CD 28.CD 147.CD} 43.488 0.801 0.982 2446.062 2.139 0 0 1493 {?} 3.293 0.053 0.069 {?} 0.969 0.044 0.124 {?} 43.493 0.806 1.015 219.576 10.767 0 0 1494 {152.HB3} 1.424 0.050 0.092 {154.HG23} 0.888 0.116 0.202 {152.CB} 43.385 1.068 2.098 593.527 8.972 0 0 1495 {56.HB2} 1.154 0.050 0.092 {113.HG11} 0.835 0.116 0.202 {56.CB} 43.191 1.068 2.098 293.708 1.880 0 0 1496 {152.HB2 152.HB2 152.HB2} 1.562 0.050 0.092 {152.HD21 152.HD22 152.HD23} 0.435 0.116 0.202 {152.CB 152.CB 152.CB} 43.376 1.068 2.098 176.030 2.777 0 0 1497 {152.HB2 152.HB2 152.HB2} 1.569 0.037 0.052 {152.HD11 152.HD12 152.HD13} -0.099 0.086 0.201 {152.CB 152.CB 152.CB} 43.423 1.033 1.113 151.008 2.086 0 0 1498 {152.HB3 152.HB3 152.HB3} 1.423 0.020 0.032 {152.HD11 152.HD12 152.HD13} -0.098 0.110 0.063 {152.CB 152.CB 152.CB} 43.343 1.409 0.787 102.084 2.644 0 0 1499 {?} 2.613 0.025 0.025 {?} 9.779 0.094 0.097 {?} 43.011 0.963 0.999 15.554 2.745 0 0 1500 {?} 2.157 0.041 0.034 {?} 9.757 0.090 0.142 {?} 42.989 0.944 0.641 39.506 2.441 0 0 1501 {?} 3.020 0.050 0.052 {?} 8.869 0.115 0.254 {?} 42.999 1.250 1.275 187.575 1.844 0 0 1502 {?} 2.880 0.053 0.101 {?} 8.884 0.120 0.171 {?} 42.943 1.051 1.601 90.657 4.227 0 0 1503 {?} 2.368 0.044 0.084 {?} 8.652 0.103 0.175 {?} 42.886 1.013 1.573 143.538 19.965 0 0 1504 {?} 2.712 0.044 0.084 {?} 8.315 0.103 0.175 {?} 42.757 1.013 1.573 53.904 19.965 0 0 1505 {?} 2.355 0.044 0.065 {?} 8.249 0.126 0.216 {?} 42.771 1.228 1.886 22.418 9.993 0 0 1506 {?} 2.697 0.021 0.031 {?} 7.752 0.196 0.134 {?} 42.761 1.291 0.859 37.795 146.182 0 0 1507 {?} 2.157 0.042 0.044 {?} 7.600 0.080 0.085 {?} 42.931 0.904 0.966 17.572 131.327 0 0 1508 {?} 2.352 0.044 0.067 {?} 7.268 0.087 0.217 {?} 42.891 0.889 1.019 114.256 117.197 0 0 1509 {?} 1.520 0.072 0.026 {?} 7.247 0.100 0.097 {?} 42.901 1.232 0.701 443.270 10.606 0 0 1510 {?} 2.867 0.011 0.009 {?} 7.178 0.152 0.058 {?} 42.827 1.088 0.426 333.199 9.069 0 0 1511 {?} 3.022 0.052 0.028 {?} 7.165 0.108 0.067 {?} 42.756 0.610 0.377 481.270 9.441 0 0 1512 {?} 2.700 0.033 0.014 {?} 7.018 0.088 0.033 {?} 42.670 0.968 0.365 221.135 2.835 0 0 1513 {46.HB2} 2.615 0.057 0.145 {46.HA} 6.219 0.184 0.315 {46.CB} 43.010 1.003 2.244 168.224 3.005 0 0 1514 {46.HB3} 2.155 0.034 0.044 {46.HA} 6.213 0.148 0.175 {46.CB} 43.076 0.809 1.058 213.550 2.172 0 0 1515 {?} 3.017 0.034 0.006 {?} 5.970 0.016 0.023 {?} 42.763 1.211 0.167 211.831 2.160 0 0 1516 {115.HB3} 2.868 0.024 0.064 {115.HA} 5.934 0.098 0.201 {115.CB} 43.020 1.121 2.164 107.724 5.551 0 0 1517 {121.HB2} 2.359 0.031 0.045 {121.HA} 4.230 0.096 0.159 {121.CB} 42.888 0.946 1.559 227.350 6.291 0 0 1518 {?} 2.373 0.044 0.086 {?} 3.196 0.101 0.317 {?} 42.831 0.731 1.181 54.967 4.756 0 0 1519 {?} 1.642 0.047 0.077 {?} 3.021 0.126 0.181 {?} 43.043 0.686 1.091 283.689 2.827 0 0 1520 {?} 1.520 0.047 0.077 {?} 2.917 0.126 0.181 {?} 42.797 0.686 1.091 73.305 11.541 0 0 1521 {46.HB3} 2.143 0.020 0.035 {46.HB2} 2.638 0.159 0.122 {46.CB} 43.017 0.875 0.587 53.005 10.359 0 0 1522 {121.HB2} 2.361 0.017 0.028 {121.HB2} 2.364 0.146 0.092 {121.CB} 42.814 1.381 0.879 370.103 3.123 0 0 1523 {121.HB3} 1.516 0.026 0.037 {121.HB2} 2.376 0.156 0.166 {121.CB} 42.807 0.923 0.987 10.008 3.025 0 0 1524 {46.HB2} 2.614 0.029 0.129 {46.HB3} 2.193 0.091 0.218 {46.CB} 43.028 1.166 2.181 169.759 3.079 0 0 1525 {46.HB3 56.HB3} 2.145 0.029 0.022 {46.HB3 56.HB3} 2.165 0.085 0.059 {46.CB 56.CB} 43.029 1.072 0.741 152.224 8.538 0 0 1526 {56.HB2} 1.151 0.026 0.017 {56.HB3} 2.133 0.041 0.053 {56.CB} 43.076 0.329 0.433 149.335 14.762 0 0 1527 {128.HB3} 2.007 0.047 0.067 {128.HB3} 2.029 0.103 0.113 {128.CB} 42.771 0.895 0.980 297.044 12.219 0 0 1528 {?} 3.769 0.016 0.016 {?} 1.755 0.184 0.186 {?} 42.803 0.969 0.980 16.777 13.732 0 0 1529 {?} 1.635 0.017 0.010 {?} 1.657 0.146 0.063 {?} 42.802 0.533 0.211 810.905 9.968 0 0 1530 {121.HB2} 2.367 0.025 0.012 {121.HG} 1.600 0.169 0.068 {121.CB} 42.824 0.996 0.387 62.723 13.989 0 0 1531 {114.HD2} 2.622 0.032 0.037 {114.HG2} 1.203 0.097 0.123 {114.CD} 42.954 1.126 1.526 133.940 8.717 0 0 1532 {152.HB2} 1.508 0.032 0.037 {152.HG} 1.231 0.097 0.123 {152.CB} 42.881 1.126 1.526 27.816 8.717 0 0 1533 {56.HB3} 2.136 0.032 0.037 {56.HB2} 1.197 0.097 0.123 {56.CB} 43.090 1.126 1.526 50.591 8.717 0 0 1534 {?} 1.156 0.026 0.037 {?} 1.075 0.130 0.120 {?} 43.100 1.207 1.098 180.389 9.924 0 0 1535 {80.HD2} 3.029 0.026 0.037 {80.HG2} 0.956 0.130 0.120 {80.CD} 42.731 1.207 1.098 850.781 9.924 0 0 1536 {?} 2.622 0.026 0.037 {?} 0.906 0.130 0.120 {?} 43.068 1.207 1.098 346.616 9.924 0 0 1537 {?} 2.362 0.019 0.015 {?} 0.911 0.063 0.121 {?} 42.840 0.951 0.719 790.694 12.174 0 0 1538 {?} 2.148 0.037 0.032 {?} 0.899 0.111 0.091 {?} 43.080 0.820 0.673 842.928 6.730 0 0 1539 {115.HB2 115.HB2 115.HB2} 3.022 0.037 0.032 {105.HD11 105.HD12 105.HD13} 0.298 0.111 0.091 {115.CB 115.CB 115.CB} 42.817 0.820 0.673 417.732 6.730 0 0 1540 {?} 1.777 0.037 0.032 {?} 9.224 0.111 0.091 {?} 42.561 0.820 0.673 80.348 6.730 0 0 1541 {?} 2.911 0.037 0.032 {?} 8.959 0.111 0.091 {?} 42.573 0.820 0.673 36.207 6.634 0 0 1542 {45.HE2} 2.706 0.026 0.024 {62.H} 8.882 0.086 0.081 {45.CE} 42.558 0.588 0.552 20.011 5.028 0 0 1543 {45.HE2} 2.721 0.026 0.024 {63.H} 8.602 0.086 0.081 {45.CE} 42.360 0.588 0.552 133.491 5.028 0 0 1544 {?} 2.562 0.026 0.024 {?} 8.609 0.086 0.081 {?} 42.366 0.588 0.552 84.476 5.028 0 0 1545 {?} 2.722 0.026 0.024 {?} 7.997 0.086 0.081 {?} 42.378 0.588 0.552 33.307 5.028 0 0 1546 {?} 2.551 0.026 0.024 {?} 8.005 0.086 0.081 {?} 42.293 0.588 0.552 147.312 5.028 0 0 1547 {?} 3.023 0.026 0.024 {?} 7.961 0.086 0.081 {?} 42.490 0.588 0.552 433.339 5.028 0 0 1548 {?} 3.024 0.026 0.024 {?} 7.799 0.086 0.081 {?} 42.398 0.588 0.552 342.775 1.737 0 0 1549 {?} 2.712 0.029 0.001 {?} 7.748 0.115 0.004 {?} 42.577 0.648 0.021 92.970 1.826 0 0 1550 {?} 2.842 0.029 0.001 {?} 7.519 0.115 0.004 {?} 42.242 0.648 0.021 142.422 9.914 0 0 1551 {?} 1.643 0.029 0.029 {?} 7.455 0.104 0.106 {?} 42.305 0.626 0.636 273.560 15.520 0 0 1552 {?} 1.608 0.029 0.029 {?} 7.448 0.104 0.106 {?} 42.316 0.626 0.636 193.023 15.520 0 0 1553 {?} 1.633 0.029 0.029 {?} 7.108 0.104 0.106 {?} 42.310 0.626 0.636 52.449 1.914 0 0 1554 {?} 2.290 0.029 0.029 {?} 7.021 0.104 0.106 {?} 42.552 0.626 0.636 76.778 1.760 0 0 1555 {128.HB2} 1.778 0.029 0.027 {129.HD1} 7.018 0.088 0.082 {128.CB} 42.494 1.055 0.974 45.746 1.747 0 0 1556 {?} 3.024 0.028 0.029 {?} 6.651 0.131 0.142 {?} 42.345 1.036 1.090 24.453 1.718 0 0 1557 {?} 3.034 0.029 0.026 {?} 6.151 0.119 0.099 {?} 42.381 0.910 0.757 53.269 4.438 0 0 1558 {128.HB2} 1.763 0.058 0.020 {128.HA} 5.870 0.088 0.137 {128.CB} 42.468 0.605 0.465 141.108 2.088 0 0 1559 {128.HB3} 2.013 0.029 0.021 {128.HA} 5.840 0.118 0.073 {128.CB} 42.451 0.841 0.522 124.593 51.721 0 0 1560 {?} 2.007 0.026 0.019 {?} 5.433 0.125 0.076 {?} 42.520 0.997 0.617 137.949 66.119 0 0 1561 {?} 1.774 0.037 0.036 {?} 5.438 0.044 0.090 {?} 42.550 0.880 0.818 200.315 1.527 0 0 1562 {19.HE3} 3.033 0.026 0.037 {18.HA} 5.387 0.066 0.147 {19.CE} 42.276 0.865 0.892 187.861 1.505 0 0 1563 {?} 3.260 0.021 0.015 {?} 5.197 0.082 0.122 {?} 42.198 1.049 0.691 158.749 2.587 0 0 1564 {22.HB2} 2.719 0.047 0.067 {22.HA} 4.986 0.107 0.149 {22.CB} 42.371 1.335 1.617 373.612 2.723 0 0 1565 {22.HB3} 2.556 0.025 0.018 {22.HA} 4.974 0.106 0.063 {22.CB} 42.431 0.899 0.532 304.501 4.676 0 0 1566 {?} 3.029 0.020 0.004 {?} 4.851 0.075 0.013 {?} 42.163 1.011 0.176 823.762 9.124 0 0 1567 {?} 2.915 0.029 0.012 {?} 4.825 0.086 0.043 {?} 42.448 1.408 0.776 349.541 4.365 0 0 1568 {?} 2.856 0.050 0.108 {?} 4.836 0.106 0.204 {?} 42.273 1.028 1.628 277.634 4.606 0 0 1569 {22.HB2} 2.721 0.050 0.072 {21.HA} 4.850 0.083 0.131 {22.CB} 42.355 1.055 1.684 348.919 2.534 0 0 1570 {128.HB2} 1.766 0.029 0.004 {127.HA} 4.724 0.076 0.009 {128.CB} 42.458 0.993 0.115 164.598 2.002 0 0 1571 {45.HE2} 2.723 0.037 0.070 {62.HA} 4.579 0.112 0.185 {45.CE} 42.325 0.613 1.012 40.907 3.423 0 0 1572 {?} 3.027 0.038 0.035 {?} 4.503 0.108 0.089 {?} 42.224 1.030 0.848 965.967 4.083 0 0 1573 {53.HE3} 2.910 0.052 0.101 {53.HA} 4.500 0.131 0.199 {53.CE} 42.450 0.950 1.574 235.196 168.108 0 0 1574 {114.HD2} 2.706 0.056 0.131 {114.HA} 4.290 0.126 0.210 {114.CD} 42.550 1.006 1.906 150.427 4.060 0 0 1575 {114.HD3} 2.293 0.054 0.103 {114.HA} 4.286 0.122 0.208 {114.CD} 42.590 1.160 1.904 82.119 1.697 0 0 1576 {?} 3.028 0.027 0.023 {?} 4.238 0.077 0.063 {?} 42.221 1.297 1.078 46.387 3.955 0 0 1577 {?} 2.844 0.035 0.080 {?} 4.016 0.086 0.199 {?} 42.229 0.906 2.209 51.410 11.289 0 0 1578 {?} 3.022 0.012 0.020 {?} 3.971 0.090 0.173 {?} 42.317 0.808 1.516 615.775 3.677 0 0 1579 {?} 2.912 0.018 0.010 {?} 3.980 0.114 0.060 {?} 42.436 0.374 0.196 18.140 11.920 0 0 1580 {?} 1.623 0.055 0.099 {?} 3.902 0.105 0.329 {?} 42.283 1.129 1.841 504.028 10.448 0 0 1581 {?} 1.740 0.056 0.087 {?} 3.847 0.111 0.347 {?} 42.282 1.064 1.768 253.808 14.667 0 0 1582 {69.HB3} 1.449 0.056 0.087 {69.HA} 3.839 0.111 0.347 {69.CB} 42.213 1.064 1.768 162.978 14.667 0 0 1583 {2.HE2} 2.910 0.050 0.063 {106.HA} 3.741 0.151 0.199 {2.CE} 42.523 1.144 1.476 37.107 5.068 0 0 1584 {?} 2.851 0.050 0.063 {?} 3.413 0.151 0.199 {?} 42.156 1.144 1.476 33.022 5.068 0 0 1585 {?} 3.027 0.050 0.063 {?} 3.365 0.151 0.199 {?} 42.247 1.144 1.476 66.199 5.068 0 0 1586 {45.HE2} 2.738 0.050 0.063 {45.HE3} 3.273 0.151 0.199 {45.CE} 42.206 1.144 1.476 517.055 5.068 0 0 1587 {?} 2.845 0.050 0.063 {?} 3.167 0.151 0.199 {?} 42.239 1.144 1.476 175.054 5.068 0 0 1588 {133.HE3} 3.029 0.050 0.063 {133.HE3} 3.039 0.151 0.199 {133.CE} 42.263 1.144 1.476 141269.219 5.068 0 0 1589 {?} 1.750 0.046 0.057 {?} 3.032 0.134 0.168 {?} 42.253 0.984 1.197 1339.196 3.189 0 0 1590 {53.HE3 133.HE2} 2.912 0.046 0.057 {53.HE3 133.HE2} 2.922 0.134 0.168 {53.CE 133.CE} 42.476 0.984 1.197 4578.581 3.189 0 0 1591 {2.HE2 2.HE3} 2.847 0.050 0.068 {2.HE2 2.HE3} 2.861 0.174 0.206 {2.CE 2.CE} 42.195 1.173 1.577 15280.656 2.613 0 0 1592 {?} 1.480 0.036 0.043 {?} 2.868 0.119 0.140 {?} 42.262 0.910 1.026 104.994 3.256 0 0 1593 {?} 1.442 0.099 0.113 {?} 2.858 0.121 0.163 {?} 42.195 1.122 1.535 144.261 1.639 0 0 1594 {45.HE3} 3.261 0.048 0.028 {45.HE2} 2.755 0.114 0.096 {45.CE} 42.203 1.427 0.783 698.943 2.409 0 0 1595 {?} 3.021 0.020 0.013 {?} 2.710 0.129 0.070 {?} 42.247 0.924 0.270 1110.203 2.420 0 0 1596 {22.HB2 45.HE2} 2.707 0.038 0.078 {22.HB2 45.HE2} 2.720 0.099 0.191 {22.CB 45.CE} 42.353 0.922 1.657 7074.552 11.537 0 0 1597 {?} 2.291 0.102 0.167 {?} 2.715 0.073 0.231 {?} 42.560 1.279 2.002 328.270 10.602 0 0 1598 {?} 2.908 0.039 0.046 {?} 2.605 0.091 0.230 {?} 42.499 0.829 1.047 2313.526 1.709 0 0 1599 {?} 2.706 0.024 0.019 {?} 2.305 0.063 0.048 {?} 42.585 0.780 0.602 1110.663 1.784 0 0 1600 {?} 2.292 0.047 0.043 {?} 2.307 0.092 0.084 {?} 42.545 1.163 1.052 1154.297 2.414 0 0 1601 {?} 2.188 0.016 0.027 {?} 2.206 0.191 0.143 {?} 42.565 1.179 0.871 264.900 2.029 0 0 1602 {119.HE2} 3.027 0.064 0.138 {119.HB2} 2.097 0.126 0.181 {119.CE} 42.256 0.962 2.036 480.200 2.581 0 0 1603 {?} 1.647 0.040 0.056 {?} 2.080 0.146 0.191 {?} 42.324 0.712 1.152 239.528 3.107 0 0 1604 {?} 2.046 0.040 0.056 {?} 2.058 0.146 0.191 {?} 42.298 0.712 1.152 15.712 5.033 0 0 1605 {111.HE2} 3.028 0.016 0.030 {111.HD3} 1.776 0.091 0.176 {111.CE} 42.231 1.112 2.080 5872.793 25.824 0 0 1606 {45.HE2} 2.735 0.019 0.024 {45.HD3} 1.795 0.115 0.053 {45.CE} 42.168 1.795 0.988 220.774 20.950 0 0 1607 {128.HB2} 1.757 0.017 0.028 {128.HB2} 1.761 0.130 0.089 {128.CB} 42.584 1.021 0.721 2859.746 22.081 0 0 1608 {128.HB2} 1.716 0.017 0.028 {128.HB2} 1.758 0.130 0.089 {128.CB} 42.619 1.021 0.721 3296.399 7.066 0 0 1609 {69.HB3} 1.453 0.022 0.009 {69.HB2} 1.728 0.081 0.037 {69.CB} 42.279 1.289 0.609 1191.526 2.737 0 0 1610 {119.HE2} 3.030 0.031 0.020 {119.HD3} 1.496 0.174 0.112 {119.CE} 42.304 1.136 0.576 5564.045 1.640 0 0 1611 {2.HE2 2.HE3 2.HE2 2.HE3 133.HE2} 2.912 0.036 0.052 {2.HD2 2.HD2 2.HD3 2.HD3 133.HD2} 1.476 0.211 0.301 {2.CE 2.CE 2.CE 2.CE 133.CE} 42.481 1.291 1.022 3679.017 2.621 0 0 1612 {2.HE2 2.HE3 2.HE2 2.HE3} 2.847 0.034 0.044 {2.HD2 2.HD2 2.HD3 2.HD3} 1.488 0.135 0.412 {2.CE 2.CE 2.CE 2.CE} 42.205 1.096 1.351 757.154 2.195 0 0 1613 {69.HB2} 1.740 0.037 0.039 {69.HB3} 1.464 0.173 0.185 {69.CB} 42.231 0.902 0.950 1222.039 2.131 0 0 1614 {69.HB3} 1.450 0.037 0.039 {69.HB3} 1.472 0.173 0.185 {69.CB} 42.224 0.902 0.950 1417.867 4.053 0 0 1615 {22.HB3} 2.570 0.041 0.055 {136.HB1} 1.279 0.102 0.121 {22.CB} 42.303 0.779 0.924 84.561 17.907 0 0 1616 {45.HE3} 3.265 0.041 0.055 {61.HB1} 1.205 0.102 0.121 {45.CE} 42.196 0.779 0.924 246.658 17.907 0 0 1617 {114.HD2 114.HD2} 2.709 0.041 0.055 {114.HB2 114.HG2} 1.233 0.102 0.121 {114.CD 114.CD} 42.499 0.779 0.924 832.712 8.686 0 0 1618 {114.HD3} 2.291 0.072 0.116 {114.HB2} 1.249 0.306 0.438 {114.CD} 42.558 1.119 1.656 629.004 5.098 0 0 1619 {?} 2.846 0.057 0.060 {?} 1.182 0.074 0.175 {?} 42.202 1.280 1.399 963.855 4.442 0 0 1620 {?} 2.009 0.057 0.060 {?} 1.178 0.074 0.175 {?} 42.624 1.280 1.399 128.117 3.002 0 0 1621 {?} 1.770 0.057 0.060 {?} 1.176 0.074 0.175 {?} 42.532 1.280 1.399 359.007 3.011 0 0 1622 {?} 2.912 0.023 0.034 {?} 1.056 0.173 0.121 {?} 42.495 0.975 0.608 595.043 3.089 0 0 1623 {45.HE3} 3.259 0.023 0.034 {62.HD13} 0.966 0.173 0.121 {45.CE} 42.160 0.975 0.608 155.939 2.381 0 0 1624 {?} 2.740 0.029 0.062 {?} 0.964 0.171 0.162 {?} 42.121 0.910 0.853 441.889 2.747 0 0 1625 {?} 2.912 0.041 0.067 {?} 0.892 0.192 0.274 {?} 42.512 0.776 1.167 244.928 6.785 0 0 1626 {?} 2.849 0.062 0.142 {?} 0.883 0.176 0.251 {?} 42.356 0.823 1.293 162.453 4.068 0 0 1627 {?} 1.637 0.062 0.142 {?} 0.916 0.176 0.251 {?} 42.304 0.823 1.293 1246.670 8.693 0 0 1628 {2.HE2} 2.912 0.062 0.142 {106.HG22} 0.750 0.176 0.251 {2.CE} 42.508 0.823 1.293 395.438 8.693 0 0 1629 {?} 1.652 0.062 0.142 {?} 0.722 0.176 0.251 {?} 42.254 0.823 1.293 604.577 8.693 0 0 1630 {69.HB2 69.HB2} 1.735 0.062 0.142 {69.HD21 69.HD22} 0.688 0.176 0.251 {69.CB 69.CB} 42.212 0.823 1.293 227.900 7.807 0 0 1631 {69.HB3} 1.453 0.062 0.142 {69.HD21} 0.679 0.176 0.251 {69.CB} 42.235 0.823 1.293 879.302 7.807 0 0 1632 {?} 2.846 0.065 0.078 {?} 0.645 0.110 0.146 {?} 42.202 0.977 1.333 421.280 8.055 0 0 1633 {?} 3.256 0.049 0.063 {?} 0.584 0.113 0.153 {?} 42.268 1.106 1.440 102.952 7.567 0 0 1634 {?} 3.028 0.049 0.063 {?} 0.575 0.113 0.153 {?} 42.311 1.106 1.440 267.408 7.567 0 0 1635 {114.HD2} 2.710 0.027 0.029 {114.HB3} 0.594 0.128 0.149 {114.CD} 42.515 0.941 1.008 139.627 4.147 0 0 1636 {114.HD3} 2.291 0.027 0.029 {114.HB3} 0.594 0.128 0.149 {114.CD} 42.520 0.941 1.008 304.505 4.147 0 0 1637 {?} 2.912 0.027 0.029 {?} 0.343 0.128 0.149 {?} 42.474 0.941 1.008 566.846 4.147 0 0 1638 {45.HE3 45.HE3 45.HE3} 3.266 0.013 0.000 {67.HD11 67.HD12 67.HD13} 0.120 0.099 0.002 {45.CE 45.CE 45.CE} 42.236 0.882 0.016 193.806 2.868 0 0 1639 {45.HE2 45.HE2 45.HE2} 2.736 0.013 0.000 {67.HD11 67.HD12 67.HD13} 0.120 0.099 0.002 {45.CE 45.CE 45.CE} 42.236 0.882 0.016 270.555 2.868 0 0 1640 {?} 3.022 0.013 0.000 {?} -0.576 0.099 0.002 {?} 42.343 0.882 0.016 36.359 2.868 0 0 1641 {?} 3.006 0.013 0.000 {?} 9.163 0.099 0.002 {?} 41.598 0.882 0.016 218.908 5.340 0 0 1642 {?} 1.895 0.013 0.000 {?} 8.983 0.099 0.002 {?} 41.779 0.882 0.016 82.580 5.340 0 0 1643 {?} 1.729 0.013 0.000 {?} 8.991 0.099 0.002 {?} 41.786 0.882 0.016 54.309 5.340 0 0 1644 {?} 2.397 0.013 0.000 {?} 8.738 0.099 0.002 {?} 41.694 0.882 0.016 106.623 5.340 0 0 1645 {?} 1.910 0.013 0.000 {?} 8.678 0.099 0.002 {?} 41.764 0.882 0.016 55.063 5.340 0 0 1646 {?} 1.740 0.035 0.067 {?} 8.676 0.092 0.145 {?} 41.770 1.089 1.643 130.814 4.935 0 0 1648 {?} 1.528 0.035 0.067 {?} 7.900 0.092 0.145 {?} 41.601 1.089 1.643 224.636 4.935 0 0 1649 {?} 1.849 0.035 0.067 {?} 7.835 0.092 0.145 {?} 41.692 1.089 1.643 394.211 4.935 0 0 1650 {?} 1.704 0.057 0.073 {?} 7.805 0.101 0.141 {?} 41.754 1.169 1.498 325.433 2.278 0 0 1651 {160.HB3} 2.399 0.028 0.023 {163.H} 7.683 0.096 0.081 {160.CB} 41.768 0.976 0.831 8.445 2.324 0 0 1652 {?} 1.526 0.039 0.029 {?} 7.572 0.080 0.053 {?} 41.844 1.514 0.994 195.187 1.701 0 0 1653 {?} 1.448 0.034 0.036 {?} 7.574 0.102 0.106 {?} 41.821 0.886 0.921 48.227 1.831 0 0 1654 {?} 3.026 0.034 0.036 {?} 7.423 0.102 0.106 {?} 42.023 0.886 0.921 67.576 1.831 0 0 1655 {?} 1.852 0.036 0.030 {?} 7.407 0.120 0.105 {?} 41.715 0.668 0.585 238.483 3.023 0 0 1656 {7.HB2} 1.702 0.026 0.037 {6.H} 7.414 0.066 0.056 {7.CB} 41.776 1.079 0.918 247.925 1.733 0 0 1657 {?} 1.559 0.010 0.016 {?} 7.410 0.083 0.052 {?} 42.075 1.046 0.653 176.428 4.482 0 0 1658 {?} 3.036 0.010 0.016 {?} 6.924 0.083 0.052 {?} 42.003 1.046 0.653 65.301 4.482 0 0 1659 {?} 3.028 0.031 0.024 {?} 5.231 0.092 0.062 {?} 41.710 0.938 0.627 243.926 3.160 0 0 1660 {?} 1.736 0.025 0.021 {?} 5.192 0.084 0.072 {?} 41.839 0.942 0.807 70.746 2.223 0 0 1661 {160.HB3} 2.402 0.037 0.142 {160.HA} 4.913 0.093 0.225 {160.CB} 41.724 0.838 1.995 146.259 2.509 0 0 1662 {62.HB3} 1.726 0.043 0.097 {62.HA} 4.601 0.088 0.203 {62.CB} 41.718 0.808 1.863 140.460 2.686 0 0 1663 {62.HB2} 1.896 0.058 0.038 {62.HA} 4.583 0.140 0.091 {62.CB} 41.747 1.396 0.897 26.209 46.849 0 0 1664 {70.HE2} 3.103 0.068 0.097 {70.HA} 4.282 0.148 0.270 {70.CE} 42.028 1.120 2.117 173.714 1.982 0 0 1665 {?} 2.405 0.047 0.067 {?} 4.267 0.094 0.196 {?} 41.994 1.273 2.027 28.074 16.271 0 0 1666 {90.HB3} 1.704 0.047 0.067 {90.HA} 4.073 0.094 0.196 {90.CB} 41.703 1.273 2.027 143.897 2.600 0 0 1667 {90.HB2} 1.843 0.030 0.015 {90.HA} 4.046 0.153 0.075 {90.CB} 41.543 0.815 0.361 381.202 1.979 0 0 1668 {105.HB2} 1.532 0.041 0.039 {105.HA} 4.013 0.137 0.127 {105.CB} 41.555 0.920 0.871 238.495 3.032 0 0 1669 {45.HE3} 3.236 0.016 0.021 {45.HE3} 3.252 0.134 0.081 {45.CE} 41.902 1.006 0.600 2506.094 9.113 0 0 1670 {?} 1.582 0.016 0.021 {?} 3.250 0.134 0.081 {?} 41.862 1.006 0.600 87.043 9.113 0 0 1671 {?} 1.804 0.043 0.039 {?} 3.134 0.068 0.140 {?} 42.059 0.395 0.776 231.558 6.210 0 0 1672 {?} 3.100 0.039 0.036 {?} 3.108 0.129 0.123 {?} 42.034 1.368 1.283 14247.414 6.016 0 0 1673 {?} 1.704 0.032 0.028 {?} 3.039 0.262 0.216 {?} 41.939 0.992 0.794 180.542 7.036 0 0 1674 {?} 3.103 0.032 0.028 {?} 2.542 0.262 0.216 {?} 41.995 0.992 0.794 26.901 2.186 0 0 1675 {160.HB3} 2.401 0.032 0.017 {160.HB3} 2.411 0.106 0.044 {160.CB} 41.627 1.393 0.596 503.267 6.280 0 0 1676 {?} 1.897 0.032 0.017 {?} 2.322 0.106 0.044 {?} 41.746 1.393 0.596 65.115 3.784 0 0 1677 {70.HE2} 3.101 0.032 0.017 {70.HB2} 2.157 0.106 0.044 {70.CE} 41.904 1.393 0.596 1456.896 3.784 0 0 1678 {?} 2.392 0.032 0.017 {?} 2.135 0.106 0.044 {?} 41.636 1.393 0.596 264.258 3.784 0 0 1679 {?} 1.549 0.019 0.051 {?} 2.091 0.075 0.098 {?} 41.777 0.845 1.105 100.172 3.308 0 0 1680 {?} 3.102 0.046 0.094 {?} 1.819 0.116 0.165 {?} 42.055 0.889 2.055 1358.475 4.112 0 0 1681 {90.HB2} 1.841 0.046 0.094 {90.HG} 1.559 0.116 0.165 {90.CB} 41.543 0.889 2.055 1394.641 4.112 0 0 1682 {105.HB2} 1.532 0.046 0.094 {105.HB2} 1.543 0.116 0.165 {105.CB} 41.645 0.889 2.055 2064.070 2.647 0 0 1683 {160.HB3 160.HB3} 2.389 0.044 0.093 {163.HB1 163.HB2} 1.273 0.136 0.229 {160.CB 160.CB} 41.648 1.140 1.913 234.072 4.096 0 0 1684 {?} 1.709 0.037 0.172 {?} 1.218 0.126 0.181 {?} 41.756 0.841 2.162 538.346 3.222 0 0 1685 {?} 3.161 0.037 0.172 {?} 1.058 0.126 0.181 {?} 41.572 0.841 2.162 1007.971 3.639 0 0 1686 {?} 2.408 0.042 0.104 {?} 0.991 0.126 0.181 {?} 41.589 0.822 2.093 646.448 2.625 0 0 1687 {62.HB2 62.HB2 62.HB2 62.HB2} 1.899 0.042 0.149 {62.HD13 62.HD21 62.HD22 62.HD23} 0.956 0.033 0.228 {62.CB 62.CB 62.CB 62.CB} 41.740 0.823 2.082 741.391 6.840 0 0 1688 {62.HB3 62.HB3 62.HB3} 1.725 0.051 0.081 {62.HD13 62.HD21 62.HD22} 0.946 0.095 0.230 {62.CB 62.CB 62.CB} 41.762 1.109 1.885 1655.644 4.143 0 0 1689 {33.HB3 33.HB3 33.HB3 62.HB2 62.HB2 62.HB2} 1.844 0.051 0.104 {33.HD11 33.HD12 33.HD13 62.HD21 62.HD22 62.HD23} 0.918 0.102 0.230 {33.CB 33.CB 33.CB 62.CB 62.CB 62.CB} 41.617 1.216 1.927 285.591 5.767 0 0 1690 {160.HB3 160.HB3 160.HB3} 2.400 0.033 0.060 {167.HG21 167.HG22 167.HG23} 0.839 0.085 0.175 {160.CB 160.CB 160.CB} 41.614 0.306 0.517 691.544 2.555 0 0 1691 {?} 1.709 0.039 0.038 {?} 0.730 0.216 0.211 {?} 41.866 1.317 1.282 2069.560 3.810 0 0 1692 {105.HB2 105.HB2 105.HB2} 1.520 0.035 0.036 {105.HD11 105.HD12 105.HD13} 0.294 0.126 0.181 {105.CB 105.CB 105.CB} 41.767 1.168 1.198 132.636 3.986 0 0 1693 {?} 1.451 0.030 0.023 {?} 0.296 0.094 0.061 {?} 41.757 0.655 0.427 268.325 2.358 0 0 1694 {105.HB2 105.HB2 105.HB2} 1.513 0.043 0.026 {152.HD11 152.HD12 152.HD13} -0.112 0.179 0.089 {105.CB 105.CB 105.CB} 41.867 0.972 0.627 149.281 1.997 0 0 1695 {?} 1.455 0.026 0.037 {?} -0.100 0.098 0.165 {?} 41.756 0.743 1.095 192.238 2.969 0 0 1696 {48.HB2} 3.338 0.026 0.037 {84.H} 9.481 0.098 0.165 {48.CB} 41.159 0.743 1.095 198.419 2.969 0 0 1697 {48.HB3} 2.769 0.042 0.075 {84.H} 9.480 0.194 0.292 {48.CB} 41.264 1.238 2.027 216.227 5.891 0 0 1698 {?} 3.029 0.049 0.103 {?} 9.171 0.211 0.301 {?} 41.413 1.115 1.791 157.360 8.792 0 0 1699 {?} 2.968 0.059 0.058 {?} 9.167 0.194 0.190 {?} 41.411 0.785 0.757 94.141 7.674 0 0 1700 {?} 2.598 0.059 0.058 {?} 9.148 0.194 0.190 {?} 41.393 0.785 0.757 116.516 7.997 0 0 1701 {146.HD3} 3.275 0.059 0.058 {145.H} 9.024 0.194 0.190 {146.CD} 41.278 0.785 0.757 16.326 9.005 0 0 1702 {146.HD3} 3.308 0.052 0.106 {147.H} 8.511 0.141 0.201 {146.CD} 41.531 0.391 1.885 22.488 4.437 0 0 1703 {146.HD2} 3.162 0.053 0.101 {147.H} 8.523 0.173 0.248 {146.CD} 41.432 0.876 1.845 106.862 90.558 0 0 1704 {?} 2.656 0.057 0.061 {?} 8.428 0.082 0.189 {?} 41.319 0.745 0.792 126.147 4.022 0 0 1705 {?} 2.530 0.064 0.066 {?} 8.436 0.132 0.135 {?} 41.276 0.949 0.980 40.727 2.425 0 0 1706 {6.HB2} 2.598 0.059 0.061 {10.H} 8.049 0.098 0.233 {6.CB} 41.409 1.342 1.407 34.163 72.917 0 0 1707 {?} 2.655 0.029 0.055 {?} 7.794 0.126 0.181 {?} 41.294 0.851 1.687 31.757 5.056 0 0 1708 {?} 2.534 0.052 0.107 {?} 7.791 0.211 0.356 {?} 41.315 0.947 1.962 48.347 3.113 0 0 1709 {?} 2.474 0.047 0.077 {?} 7.799 0.125 0.211 {?} 41.235 1.004 1.855 6.334 2.316 0 0 1710 {?} 2.591 0.062 0.110 {?} 7.499 0.156 0.261 {?} 41.347 0.837 1.881 96.438 9.107 0 0 1711 {6.HB3} 2.969 0.050 0.090 {6.H} 7.436 0.147 0.224 {6.CB} 41.391 1.080 1.816 411.349 2.622 0 0 1712 {?} 2.524 0.052 0.108 {?} 7.435 0.286 0.408 {?} 41.336 0.850 1.964 494.674 10.447 0 0 1713 {27.HB2} 3.272 0.051 0.103 {27.HD1} 7.382 0.165 0.270 {27.CB} 41.160 0.877 1.756 517.268 11.812 0 0 1714 {27.HB3} 3.100 0.051 0.103 {27.HD1} 7.386 0.165 0.270 {27.CB} 41.127 0.877 1.756 270.755 13.266 0 0 1715 {?} 3.342 0.051 0.103 {?} 7.195 0.165 0.270 {?} 41.232 0.877 1.756 193.670 8.104 0 0 1716 {?} 2.769 0.051 0.103 {?} 7.189 0.165 0.270 {?} 41.146 0.877 1.756 274.478 8.104 0 0 1717 {48.HB2} 3.324 0.051 0.103 {48.HA} 5.507 0.165 0.270 {48.CB} 41.280 0.877 1.756 82.322 3.062 0 0 1718 {48.HB3} 2.769 0.051 0.103 {48.HA} 5.505 0.165 0.270 {48.CB} 41.178 0.877 1.756 49.899 3.199 0 0 1719 {27.HB2} 3.274 0.051 0.103 {27.HA} 4.805 0.165 0.270 {27.CB} 41.189 0.877 1.756 182.572 15.885 0 0 1720 {27.HB3} 3.100 0.060 0.130 {27.HA} 4.806 0.171 0.299 {27.CB} 41.168 0.886 1.916 114.929 18.466 0 0 1721 {123.HB2} 2.967 0.060 0.130 {123.HA} 4.736 0.171 0.299 {123.CB} 41.398 0.886 1.916 76.398 15.808 0 0 1722 {123.HB3} 2.528 0.060 0.130 {123.HA} 4.737 0.171 0.299 {123.CB} 41.321 0.886 1.916 37.988 32.539 0 0 1723 {17.HB2} 2.657 0.060 0.130 {17.HA} 4.548 0.171 0.299 {17.CB} 41.320 0.886 1.916 436.378 29.366 0 0 1724 {17.HB3} 2.532 0.030 0.067 {17.HA} 4.547 0.220 0.301 {17.CB} 41.334 0.803 1.701 503.857 1.667 0 0 1725 {6.HB2} 2.599 0.028 0.088 {6.HA} 4.398 0.130 0.404 {6.CB} 41.423 0.777 1.235 276.839 3.976 0 0 1726 {123.HB2} 2.971 0.028 0.088 {120.HA} 4.308 0.130 0.404 {123.CB} 41.408 0.777 1.235 940.418 3.976 0 0 1727 {?} 2.526 0.028 0.088 {?} 4.283 0.130 0.404 {?} 41.355 0.777 1.235 630.829 2.317 0 0 1728 {146.HD3 146.HD3} 3.307 0.077 0.106 {143.HA 146.HA} 4.146 0.209 0.299 {146.CD 146.CD} 41.502 0.747 1.165 140.550 3.241 0 0 1729 {146.HD2 146.HD2} 3.160 0.077 0.106 {143.HA 146.HA} 4.154 0.209 0.299 {146.CD 146.CD} 41.516 0.747 1.165 135.340 13.989 0 0 1730 {17.HB2} 2.659 0.077 0.106 {16.HA} 3.794 0.209 0.299 {17.CB} 41.321 0.747 1.165 77.046 13.887 0 0 1731 {?} 2.532 0.077 0.106 {?} 3.805 0.209 0.299 {?} 41.223 0.747 1.165 49.410 13.777 0 0 1732 {27.HB2} 3.272 0.077 0.106 {27.HB3} 3.107 0.209 0.299 {27.CB} 41.260 0.747 1.165 11175.104 13.777 0 0 1733 {?} 1.596 0.077 0.106 {?} 3.038 0.209 0.299 {?} 41.118 0.747 1.165 410.673 13.777 0 0 1734 {123.HB3} 2.525 0.077 0.106 {123.HB2} 2.972 0.209 0.299 {123.CB} 41.105 0.747 1.165 316.425 13.777 0 0 1735 {160.HB3 160.HB3} 2.402 0.064 0.097 {119.HE2 160.HB2} 2.983 0.110 0.167 {160.CB 160.CB} 41.164 0.671 0.951 75.688 6.144 0 0 1736 {123.HB3} 2.595 0.064 0.097 {123.HB2} 2.945 0.110 0.167 {123.CB} 41.238 0.671 0.951 382.434 7.808 0 0 1737 {48.HB2} 3.328 0.064 0.097 {48.HB3} 2.782 0.110 0.167 {48.CB} 41.234 0.671 0.951 169.085 3.391 0 0 1738 {48.HB3} 2.753 0.064 0.097 {48.HB3} 2.755 0.110 0.167 {48.CB} 41.285 0.671 0.951 19136.293 1.734 0 0 1739 {17.HB2} 2.655 0.064 0.097 {17.HB2} 2.660 0.110 0.167 {17.CB} 41.344 0.671 0.951 12210.407 4.253 0 0 1740 {6.HB2 17.HB2} 2.613 0.064 0.097 {6.HB2 17.HB2} 2.625 0.110 0.167 {6.CB 17.CB} 41.329 0.671 0.951 13476.708 4.253 0 0 1741 {17.HB3 123.HB3} 2.531 0.064 0.097 {17.HB3 123.HB3} 2.557 0.110 0.167 {17.CB 123.CB} 41.273 0.671 0.951 7492.510 4.253 0 0 1742 {?} 3.161 0.015 0.019 {?} 2.178 0.109 0.035 {?} 41.515 1.046 0.338 972.245 2.340 0 0 1743 {?} 3.308 0.015 0.019 {?} 2.043 0.109 0.035 {?} 41.470 1.046 0.338 965.381 2.340 0 0 1744 {?} 2.764 0.024 0.036 {?} 1.982 0.093 0.042 {?} 41.176 1.027 0.465 289.635 2.111 0 0 1745 {33.HB3 90.HB2} 1.839 0.024 0.036 {33.HB3 90.HB2} 1.843 0.093 0.042 {33.CB 90.CB} 41.519 1.027 0.465 572.943 3.628 0 0 1746 {?} 1.532 0.057 0.082 {?} 1.834 0.163 0.227 {?} 41.522 1.058 1.830 520.964 2.012 0 0 1747 {6.HB2} 2.604 0.058 0.130 {2.HB3} 1.663 0.120 0.171 {6.CB} 41.406 0.905 1.976 145.625 2.426 0 0 1748 {160.HB3} 2.400 0.058 0.130 {119.HB3} 1.543 0.120 0.171 {160.CB} 41.491 0.905 1.976 187.746 2.514 0 0 1749 {6.HB2} 2.598 0.038 0.016 {2.HD3} 1.463 0.132 0.059 {6.CB} 41.348 0.930 0.437 293.032 2.909 0 0 1750 {146.HD3 146.HD3 146.HD3} 3.321 0.012 0.015 {145.HD11 145.HD12 145.HD13} 1.223 0.153 0.051 {146.CD 146.CD 146.CD} 41.282 1.072 0.361 125.234 2.420 0 0 1751 {?} 0.943 0.023 0.008 {?} 0.963 0.053 0.038 {?} 41.329 1.584 0.463 87.998 3.308 0 0 1752 {?} 3.322 0.040 0.011 {?} 0.897 0.151 0.049 {?} 41.227 0.875 0.293 527.387 1.955 0 0 1753 {?} 2.767 0.043 0.065 {?} 0.898 0.125 0.168 {?} 41.256 1.204 1.789 313.849 22.005 0 0 1754 {7.HB3} 0.883 0.023 0.014 {7.HB3} 0.894 0.114 0.068 {7.CB} 41.140 1.074 0.643 55.674 3.749 0 0 1755 {7.HB3} 0.852 0.026 0.037 {7.HB3} 0.876 0.124 0.221 {7.CB} 41.169 0.500 0.971 73.928 493.534 0 0 1756 {?} 3.337 0.026 0.037 {?} 0.458 0.091 0.218 {?} 41.114 1.111 1.888 92.023 4.567 0 0 1757 {6.HB2} 2.602 0.010 0.002 {7.HG} 0.309 0.139 0.011 {6.CB} 41.346 1.166 0.096 90.663 6.192 0 0 1758 {17.HB3} 2.536 0.041 0.002 {16.HG21} 0.245 0.122 0.007 {17.CB} 41.094 0.951 0.052 43.214 173.787 0 0 1759 {?} 2.518 0.041 0.002 {?} 9.113 0.122 0.007 {?} 40.731 0.951 0.052 61.136 173.787 0 0 1760 {?} 1.540 0.041 0.002 {?} 9.113 0.122 0.007 {?} 40.633 0.951 0.052 54.149 173.787 0 0 1761 {?} 2.013 0.028 0.026 {?} 8.338 0.148 0.138 {?} 40.611 0.858 1.825 59.157 146.734 0 0 1762 {?} 1.843 0.028 0.026 {?} 8.342 0.148 0.138 {?} 40.665 0.858 1.825 39.924 146.734 0 0 1763 {?} 1.674 0.028 0.026 {?} 8.031 0.148 0.138 {?} 40.947 0.858 1.825 23.948 146.734 0 0 1764 {?} 0.855 0.026 0.037 {?} 8.038 0.131 0.137 {?} 40.864 1.056 1.104 108.099 5.480 0 0 1765 {149.HB2 149.HB2} 2.034 0.054 0.080 {150.HA 156.HD3} 4.181 0.239 0.301 {149.CB 149.CB} 40.498 0.880 1.212 13.851 18.606 0 0 1766 {149.HB2 149.HB2} 2.014 0.054 0.080 {150.HA 156.HD3} 4.200 0.239 0.301 {149.CB 149.CB} 40.601 0.880 1.212 23.192 1.721 0 0 1767 {149.HB2} 2.023 0.054 0.080 {149.HA} 3.683 0.239 0.301 {149.CB} 40.628 0.880 1.212 39.529 46.261 0 0 1768 {149.HB3} 1.834 0.054 0.080 {149.HA} 3.668 0.239 0.301 {149.CB} 40.686 0.880 1.212 56.498 46.261 0 0 1769 {?} 1.673 0.054 0.080 {?} 3.597 0.239 0.301 {?} 40.833 0.880 1.212 6.986 46.261 0 0 1770 {?} 0.875 0.054 0.080 {?} 3.590 0.239 0.301 {?} 40.842 0.880 1.212 71.639 46.261 0 0 1771 {?} 0.844 0.036 0.069 {?} 3.598 0.100 0.180 {?} 40.813 1.174 1.828 115.989 4.239 0 0 1772 {?} 1.668 0.067 0.095 {?} 3.419 0.188 0.271 {?} 40.645 1.538 1.854 101.004 5.406 0 0 1773 {?} 0.871 0.044 0.052 {?} 3.411 0.135 0.182 {?} 40.831 0.827 1.147 37.705 5.912 0 0 1774 {?} 1.635 0.044 0.052 {?} 3.383 0.135 0.182 {?} 40.747 0.827 1.147 20.465 4.408 0 0 1775 {?} 0.838 0.044 0.052 {?} 3.371 0.135 0.182 {?} 40.857 0.827 1.147 16.827 4.408 0 0 1776 {145.HB2} 1.572 0.044 0.052 {145.HB3} 2.544 0.135 0.182 {145.CB} 40.804 0.827 1.147 157.617 4.408 0 0 1777 {145.HB2} 1.544 0.044 0.052 {145.HB3} 2.541 0.135 0.182 {145.CB} 40.769 0.827 1.147 57.226 4.406 0 0 1778 {149.HB2} 2.006 0.044 0.052 {149.HG} 2.321 0.135 0.182 {149.CB} 40.565 0.827 1.147 46.654 4.406 0 0 1779 {?} 2.093 0.044 0.052 {?} 2.095 0.135 0.182 {?} 40.537 0.827 1.147 249.262 4.406 0 0 1780 {149.HB2 149.HB2} 2.015 0.047 0.041 {149.HB3 154.HB} 1.847 0.086 0.073 {149.CB 149.CB} 40.565 1.596 1.441 170.815 4.561 0 0 1781 {145.HB3} 2.536 0.047 0.041 {145.HG} 1.756 0.086 0.073 {145.CB} 40.584 1.596 1.441 201.020 4.561 0 0 1782 {?} 0.861 0.047 0.041 {?} 1.667 0.086 0.073 {?} 40.814 1.596 1.441 94.060 4.561 0 0 1783 {145.HB3} 2.526 0.052 0.017 {145.HB2} 1.554 0.110 0.059 {145.CB} 40.813 0.928 0.500 524.016 1.812 0 0 1784 {149.HB2} 2.035 0.047 0.060 {150.HB1} 1.578 0.127 0.145 {149.CB} 40.642 1.124 1.316 47.761 1.786 0 0 1785 {145.HB3 145.HB3 145.HB3} 2.535 0.042 0.052 {145.HD11 145.HD12 145.HD13} 1.228 0.141 0.173 {145.CB 145.CB 145.CB} 40.625 0.964 1.249 381.653 4.201 0 0 1786 {145.HB2 145.HB2 145.HB2} 1.541 0.042 0.052 {145.HD11 145.HD12 145.HD13} 1.232 0.141 0.173 {145.CB 145.CB 145.CB} 40.620 0.964 1.249 278.168 2.515 0 0 1787 {?} 2.017 0.058 0.218 {?} 1.054 0.116 0.166 {?} 40.578 1.553 2.218 163.551 1.784 0 0 1788 {145.HB3 145.HB3} 2.527 0.019 0.050 {149.HD11 149.HD13} 1.006 0.095 0.122 {145.CB 145.CB} 40.682 0.443 0.567 230.817 1.410 0 0 1789 {?} 1.000 0.038 0.024 {?} 1.007 0.119 0.033 {?} 40.641 1.576 0.406 163.594 1.948 0 0 1790 {?} 2.012 0.020 0.024 {?} 0.593 0.098 0.124 {?} 40.497 0.732 0.923 130.042 2.073 0 0 1791 {?} 0.852 0.049 0.118 {?} 0.586 0.119 0.270 {?} 40.952 0.869 1.821 178.660 1.840 0 0 1792 {7.HB2 7.HB2 7.HB2 7.HB2} 1.664 0.037 0.052 {7.HG 7.HD11 7.HD12 7.HD13} 0.289 0.113 0.142 {7.CB 7.CB 7.CB 7.CB} 40.929 0.929 1.119 125.175 2.643 0 0 1793 {?} 0.860 0.053 0.108 {?} 0.290 0.156 0.279 {?} 40.823 0.943 1.987 156.530 2.430 0 0 1794 {?} 1.664 0.048 0.103 {?} -0.029 0.174 0.303 {?} 40.828 0.880 1.936 38.640 3.341 0 0 1795 {?} 1.960 0.048 0.103 {?} 9.766 0.174 0.303 {?} 40.128 0.880 1.936 88.228 4.513 0 0 1796 {?} 1.945 0.048 0.103 {?} 9.377 0.174 0.303 {?} 40.167 0.880 1.936 259.050 2.702 0 0 1797 {?} 2.865 0.053 0.098 {?} 8.741 0.172 0.246 {?} 39.961 0.871 2.039 263.259 2.585 0 0 1798 {?} 2.901 0.053 0.098 {?} 8.102 0.172 0.246 {?} 39.952 0.871 2.039 146.954 3.209 0 0 1799 {?} 2.862 0.053 0.098 {?} 8.112 0.172 0.246 {?} 39.929 0.871 2.039 179.926 2.843 0 0 1800 {?} 2.733 0.081 0.132 {?} 7.895 0.117 0.179 {?} 40.217 1.332 1.899 160.347 2.199 0 0 1801 {?} 2.728 0.081 0.132 {?} 7.350 0.117 0.179 {?} 40.229 1.332 1.899 450.155 2.514 0 0 1802 {107.HB2 107.HB3} 2.733 0.042 0.054 {107.HA 107.HA} 4.834 0.105 0.118 {107.CB 107.CB} 40.270 0.871 0.981 320.872 2.086 0 0 1803 {107.HB2 107.HB3} 2.715 0.042 0.054 {107.HA 107.HA} 4.829 0.105 0.118 {107.CB 107.CB} 40.233 0.871 0.981 348.812 4.497 0 0 1804 {12.HB2} 2.891 0.042 0.054 {12.HA} 4.626 0.105 0.118 {12.CB} 39.943 0.871 0.981 457.624 2.796 0 0 1805 {12.HB2} 2.865 0.020 0.018 {12.HA} 4.625 0.096 0.084 {12.CB} 39.909 0.940 0.827 424.476 4.597 0 0 1806 {?} 2.528 0.073 0.079 {?} 3.964 0.184 0.196 {?} 40.026 1.166 1.306 347.251 5.822 0 0 1807 {?} 2.218 0.040 0.008 {?} 2.229 0.134 0.030 {?} 40.080 1.432 0.327 1135.198 3.516 0 0 1808 {?} 2.959 0.043 0.038 {?} 2.066 0.121 0.095 {?} 40.142 1.060 0.832 311.259 6.670 0 0 1809 {?} 2.536 0.011 0.021 {?} 2.062 0.184 0.158 {?} 40.264 0.809 0.640 394.701 8.732 0 0 1810 {59.HB} 1.946 0.011 0.021 {47.HB3} 1.799 0.184 0.158 {59.CB} 40.102 0.809 0.640 782.536 8.732 0 0 1811 {59.HB} 1.952 0.062 0.115 {59.HG12} 1.585 0.168 0.280 {59.CB} 40.142 1.015 1.883 477.354 2.586 0 0 1812 {?} 1.942 0.056 0.089 {?} 1.240 0.144 0.222 {?} 40.081 1.075 1.895 104.485 3.445 0 0 1813 {59.HB 59.HB 59.HB} 1.947 0.026 0.009 {59.HG21 59.HG22 59.HG23} 0.823 0.096 0.027 {59.CB 59.CB 59.CB} 40.086 1.126 0.333 519.770 4.798 0 0 1814 {?} 0.818 0.026 0.037 {?} 0.841 0.132 0.045 {?} 40.210 1.134 0.407 237.852 87.948 0 0 1815 {107.HB3} 2.733 0.026 0.037 {106.HG21} 0.751 0.132 0.045 {107.CB} 40.229 1.134 0.407 173.408 5.742 0 0 1816 {?} 2.867 0.032 0.062 {?} 9.315 0.139 0.104 {?} 39.375 0.996 0.784 203.239 3.058 0 0 1817 {?} 3.430 0.059 0.029 {?} 8.901 0.130 0.069 {?} 39.691 0.844 0.470 124.634 2.929 0 0 1818 {?} 3.153 0.023 0.020 {?} 8.895 0.092 0.080 {?} 39.652 0.991 0.858 103.301 4.706 0 0 1819 {?} 3.425 0.026 0.037 {?} 8.079 0.140 0.149 {?} 39.680 0.903 0.955 158.487 4.865 0 0 1820 {?} 3.167 0.026 0.037 {?} 8.079 0.140 0.149 {?} 39.650 0.903 0.955 338.819 24.483 0 0 1821 {10.HB3} 3.428 0.036 0.051 {10.HD1} 7.350 0.148 0.206 {10.CB} 39.657 0.851 1.213 388.546 8.260 0 0 1822 {10.HB2} 3.163 0.062 0.156 {10.HD1} 7.349 0.131 0.187 {10.CB} 39.669 0.949 1.986 591.811 8.341 0 0 1823 {10.HB3} 3.425 0.053 0.142 {10.HA} 4.427 0.113 0.161 {10.CB} 39.693 1.044 2.027 102.340 11.434 0 0 1824 {12.HB2} 2.878 0.059 0.134 {9.HA} 4.372 0.125 0.234 {12.CB} 39.882 0.996 2.003 640.597 4.271 0 0 1825 {161.HB3} 2.886 0.059 0.134 {161.HA} 4.129 0.125 0.234 {161.CB} 39.482 0.996 2.003 233.497 4.271 0 0 1826 {?} 3.841 0.059 0.134 {?} 3.853 0.125 0.234 {?} 39.615 0.996 2.003 10.111 4.271 0 0 1827 {10.HB3} 3.419 0.067 0.103 {10.HB3} 3.433 0.111 0.195 {10.CB} 39.553 1.059 1.705 311.630 2.048 0 0 1828 {10.HB3} 3.433 0.037 0.035 {10.HB2} 3.185 0.089 0.083 {10.CB} 39.621 0.993 0.924 202.477 2.323 0 0 1829 {?} 2.281 0.024 0.004 {?} 2.292 0.166 0.058 {?} 39.551 0.746 0.160 242.250 3.104 0 0 1830 {10.HB3} 3.426 0.036 0.033 {9.HB1} 1.629 0.084 0.172 {10.CB} 39.628 1.203 1.063 83.637 5.287 0 0 1831 {?} 3.364 0.058 0.037 {?} 1.621 0.124 0.177 {?} 39.412 0.733 0.489 239.914 5.042 0 0 1832 {10.HB2} 3.168 0.026 0.018 {9.HB1} 1.625 0.087 0.144 {10.CB} 39.599 0.699 0.438 254.590 2.899 0 0 1833 {12.HB2} 2.861 0.062 0.092 {9.HB2} 1.628 0.094 0.123 {12.CB} 39.701 0.933 1.202 307.888 2.887 0 0 1834 {?} 3.179 0.061 0.130 {?} 1.245 0.139 0.198 {?} 39.587 1.464 2.092 103.439 3.739 0 0 1835 {?} 2.866 0.061 0.130 {?} 1.240 0.139 0.198 {?} 39.757 1.464 2.092 272.856 3.316 0 0 1836 {10.HB3} 3.424 0.026 0.037 {106.HD12} 0.329 0.182 0.293 {10.CB} 39.651 1.648 2.239 247.408 1.914 0 0 1837 {?} 3.170 0.052 0.078 {?} 0.329 0.159 0.221 {?} 39.679 0.822 1.173 260.804 3.196 0 0 1838 {?} 3.355 0.048 0.071 {?} 9.320 0.176 0.233 {?} 39.221 0.958 1.309 237.173 3.943 0 0 1839 {?} 3.791 0.033 0.048 {?} 8.739 0.117 0.257 {?} 39.076 1.054 1.081 87.438 3.858 0 0 1840 {?} 3.334 0.035 0.036 {?} 8.738 0.045 0.101 {?} 39.081 1.283 1.303 249.470 2.240 0 0 1841 {?} 3.348 0.034 0.035 {?} 8.384 0.167 0.174 {?} 39.235 0.883 0.929 219.675 2.345 0 0 1842 {?} 2.872 0.049 0.043 {?} 8.396 0.094 0.072 {?} 39.198 1.063 0.827 105.837 2.345 0 0 1843 {148.HB2} 3.784 0.051 0.045 {150.H} 8.331 0.163 0.150 {148.CB} 38.960 0.955 0.893 86.670 2.604 0 0 1844 {?} 2.852 0.068 0.097 {?} 7.908 0.151 0.216 {?} 39.193 0.982 1.684 265.837 1.741 0 0 1845 {?} 2.202 0.063 0.074 {?} 7.630 0.148 0.190 {?} 39.127 1.086 1.615 109.556 3.690 0 0 1846 {?} 3.355 0.081 0.164 {?} 7.558 0.095 0.299 {?} 39.259 1.391 2.040 322.283 2.057 0 0 1847 {?} 2.881 0.081 0.164 {?} 7.566 0.095 0.299 {?} 39.248 1.391 2.040 218.475 2.054 0 0 1848 {148.HB2} 3.783 0.081 0.164 {148.HD1} 7.356 0.095 0.299 {148.CB} 38.954 1.391 2.040 176.935 2.602 0 0 1849 {148.HB3} 3.325 0.058 0.131 {148.HD1} 7.358 0.188 0.312 {148.CB} 39.021 1.043 1.888 268.274 3.719 0 0 1850 {?} 2.864 0.058 0.131 {?} 7.373 0.188 0.312 {?} 39.245 1.043 1.888 355.291 1.674 0 0 1851 {?} 2.497 0.058 0.131 {?} 7.370 0.188 0.312 {?} 39.226 1.043 1.888 231.783 3.723 0 0 1852 {?} 3.341 0.058 0.131 {?} 7.082 0.188 0.312 {?} 39.189 1.043 1.888 143.979 3.420 0 0 1853 {?} 3.317 0.086 0.157 {?} 6.256 0.158 0.226 {?} 39.010 0.867 1.641 51.909 8.961 0 0 1854 {108.HB2} 2.858 0.086 0.157 {108.HA} 5.163 0.158 0.226 {108.CB} 39.254 0.867 1.641 142.311 2.651 0 0 1855 {135.HB2} 3.211 0.086 0.157 {135.HA} 4.477 0.158 0.226 {135.CB} 39.244 0.867 1.641 630.252 1.834 0 0 1856 {135.HB3} 2.185 0.067 0.120 {135.HA} 4.479 0.154 0.253 {135.CB} 39.214 0.959 1.802 421.064 4.214 0 0 1857 {148.HB2 148.HB2} 3.795 0.074 0.088 {145.HA 148.HA} 4.183 0.070 0.206 {148.CB 148.CB} 39.036 1.132 1.500 176.401 2.398 0 0 1858 {148.HB3 148.HB3 161.HB2} 3.331 0.040 0.038 {145.HA 148.HA 161.HA} 4.166 0.039 0.085 {148.CB 148.CB 161.CB} 39.078 1.128 1.107 479.045 2.167 0 0 1859 {108.HB3} 2.498 0.069 0.113 {105.HA} 3.996 0.134 0.188 {108.CB} 39.229 1.069 1.772 28.021 10.291 0 0 1860 {108.HB2} 2.870 0.067 0.094 {105.HA} 3.966 0.131 0.188 {108.CB} 39.277 1.015 1.476 178.653 4.532 0 0 1861 {67.HB} 1.581 0.075 0.061 {67.HA} 3.987 0.157 0.120 {67.CB} 39.290 1.067 0.763 163.059 6.491 0 0 1862 {148.HB2} 3.791 0.060 0.043 {148.HB2} 3.807 0.120 0.091 {148.CB} 39.044 0.848 0.628 98.009 3.441 0 0 1863 {148.HB3} 3.331 0.043 0.022 {148.HB2} 3.809 0.160 0.042 {148.CB} 39.063 1.211 0.339 254.493 11.052 0 0 1864 {148.HB2} 3.792 0.051 0.031 {148.HB3} 3.356 0.151 0.063 {148.CB} 38.991 0.910 0.365 87.941 5.048 0 0 1865 {161.HB3} 2.882 0.060 0.061 {161.HB2} 3.373 0.215 0.223 {161.CB} 39.293 0.961 0.991 332.595 12.636 0 0 1866 {148.HB3 161.HB2} 3.326 0.038 0.011 {148.HB3 161.HB2} 3.331 0.142 0.046 {148.CB 161.CB} 39.249 1.418 0.456 779.706 2.278 0 0 1867 {148.HB3 161.HB2} 3.302 0.071 0.123 {148.HB3 161.HB2} 3.324 0.201 0.271 {148.CB 161.CB} 39.239 1.166 1.682 1190.053 4.751 0 0 1868 {135.HB3} 2.184 0.071 0.123 {135.HB2} 3.224 0.201 0.271 {135.CB} 39.178 1.166 1.682 232.994 5.398 0 0 1869 {?} 4.022 0.038 0.040 {?} 3.158 0.110 0.118 {?} 39.241 1.022 1.098 35.200 5.359 0 0 1870 {?} 3.314 0.013 0.020 {?} 3.164 0.140 0.091 {?} 39.282 1.593 1.149 513.728 3.182 0 0 1871 {10.HB2} 3.160 0.012 0.022 {10.HB2} 3.166 0.194 0.114 {10.CB} 39.333 0.896 0.746 888.816 4.366 0 0 1872 {161.HB2} 3.360 0.030 0.028 {161.HB3} 2.892 0.106 0.100 {161.CB} 39.281 1.126 1.058 128.119 38.966 0 0 1873 {?} 2.784 0.016 0.035 {?} 2.798 0.062 0.121 {?} 39.262 0.899 2.051 1130.940 16.745 0 0 1874 {108.HB2} 2.862 0.031 0.045 {108.HB3} 2.512 0.103 0.059 {108.CB} 39.220 1.056 0.598 289.986 9.800 0 0 1875 {135.HB2} 3.213 0.050 0.112 {135.HB3} 2.206 0.157 0.225 {135.CB} 39.194 1.043 1.975 554.179 3915.480 0 0 1876 {148.HB3} 3.334 0.033 0.029 {147.HB2} 2.113 0.066 0.123 {148.CB} 39.092 1.133 0.987 105.195 93.197 0 0 1877 {148.HB2} 3.774 0.025 0.011 {149.HB2} 2.052 0.152 0.074 {148.CB} 38.971 1.386 0.749 10.391 467.226 0 0 1878 {?} 3.207 0.025 0.011 {?} 1.938 0.152 0.074 {?} 39.216 1.386 0.749 113.145 467.226 0 0 1879 {67.HB} 1.574 0.076 0.077 {67.HB} 1.587 0.097 0.100 {67.CB} 39.121 0.816 0.844 807.982 560.469 0 0 1880 {148.HB2 148.HB2 148.HB2} 3.786 0.076 0.077 {149.HD11 149.HD12 149.HD13} 1.048 0.097 0.100 {148.CB 148.CB 148.CB} 39.052 0.816 0.844 136.500 560.469 0 0 1881 {?} 3.343 0.049 0.113 {?} 1.007 0.099 0.229 {?} 39.149 0.981 2.086 694.672 11.088 0 0 1882 {67.HB} 1.572 0.049 0.113 {47.HD21} 0.971 0.099 0.229 {67.CB} 39.194 0.981 2.086 834.017 10.239 0 0 1883 {?} 2.857 0.051 0.079 {?} 0.851 0.185 0.281 {?} 39.217 1.356 2.049 182.652 19.491 0 0 1884 {?} 2.493 0.077 0.106 {?} 0.849 0.116 0.194 {?} 39.220 1.099 1.782 84.646 32.822 0 0 1885 {148.HB3} 3.346 0.062 0.104 {149.HD23} 0.563 0.116 0.205 {148.CB} 39.228 1.491 2.130 101.992 69.904 0 0 1886 {?} 1.571 0.062 0.104 {?} 0.554 0.116 0.205 {?} 39.240 1.491 2.130 252.838 69.904 0 0 1887 {?} 0.534 0.029 0.019 {?} 0.564 0.120 0.079 {?} 39.023 1.357 0.945 50.765 22.826 0 0 1888 {148.HB3 148.HB3} 3.325 0.057 0.094 {16.HG21 16.HG22} 0.250 0.127 0.398 {148.CB 148.CB} 38.907 1.012 1.774 113.281 7.324 0 0 1889 {67.HB 67.HB 67.HB} 1.570 0.057 0.094 {67.HD11 67.HD12 67.HD13} 0.118 0.127 0.398 {67.CB 67.CB 67.CB} 39.269 1.012 1.774 400.552 23.144 0 0 1890 {?} 3.491 0.057 0.094 {?} 9.530 0.127 0.398 {?} 38.305 1.012 1.774 82.553 26.424 0 0 1891 {?} 3.483 0.053 0.067 {?} 8.762 0.097 0.118 {?} 38.430 0.919 1.127 8.344 6.302 0 0 1892 {?} 1.580 0.016 0.022 {?} 7.904 0.131 0.144 {?} 38.384 0.787 0.877 72.175 28.625 0 0 1893 {83.HB2 83.HB2} 3.489 0.047 0.064 {83.HD1 83.HD2} 7.534 0.122 0.163 {83.CB 83.CB} 38.379 0.994 1.299 297.901 3.645 0 0 1894 {83.HB3 83.HB3} 3.057 0.019 0.017 {83.HD1 83.HD2} 7.532 0.126 0.111 {83.CB 83.CB} 38.281 1.065 0.952 335.033 3.030 0 0 1895 {?} 1.587 0.029 0.039 {?} 7.522 0.206 0.233 {?} 38.354 0.896 1.151 452.424 186.053 0 0 1896 {?} 1.587 0.039 0.042 {?} 7.352 0.042 0.101 {?} 38.425 0.939 1.025 337.844 7.452 0 0 1897 {?} 1.585 0.032 0.040 {?} 7.090 0.123 0.164 {?} 38.577 0.761 0.911 95.194 86.228 0 0 1898 {83.HB2} 3.489 0.028 0.053 {83.HA} 4.681 0.135 0.116 {83.CB} 38.356 0.954 0.844 121.324 106.172 0 0 1899 {83.HB3} 3.059 0.045 0.087 {83.HA} 4.689 0.158 0.236 {83.CB} 38.381 1.036 1.481 91.755 17.868 0 0 1900 {106.HB} 1.590 0.037 0.060 {106.HA} 3.732 0.172 0.211 {106.CB} 38.393 0.824 1.066 160.560 108.238 0 0 1901 {83.HB2} 3.488 0.069 0.123 {83.HB2} 3.501 0.238 0.341 {83.CB} 38.376 1.151 1.763 477.701 45.375 0 0 1902 {83.HB3} 3.056 0.069 0.123 {83.HB2} 3.503 0.238 0.341 {83.CB} 38.312 1.151 1.763 584.241 45.375 0 0 1903 {83.HB2} 3.485 0.069 0.123 {83.HB3} 3.070 0.238 0.341 {83.CB} 38.345 1.151 1.763 495.558 45.375 0 0 1904 {?} 2.009 0.069 0.123 {?} 2.028 0.238 0.341 {?} 38.709 1.151 1.763 528.375 45.375 0 0 1905 {?} 1.041 0.069 0.123 {?} 2.025 0.238 0.341 {?} 38.781 1.151 1.763 14.268 45.375 0 0 1906 {?} 1.898 0.015 0.028 {?} 1.917 0.105 0.090 {?} 38.591 1.312 1.155 606.617 36.918 0 0 1907 {?} 0.945 0.015 0.028 {?} 1.921 0.105 0.090 {?} 38.497 1.312 1.155 28.548 36.918 0 0 1908 {106.HB 106.HB} 1.588 0.015 0.028 {106.HG21 106.HG23} 0.750 0.105 0.090 {106.CB 106.CB} 38.472 1.312 1.155 1230.586 36.918 0 0 1909 {?} 3.497 0.015 0.028 {?} 0.461 0.105 0.090 {?} 38.391 1.312 1.155 342.545 36.918 0 0 1910 {106.HB 106.HB} 1.588 0.058 0.082 {106.HD11 106.HD13} 0.348 0.118 0.161 {106.CB 106.CB} 38.447 1.129 1.545 836.675 19.644 0 0 1911 {?} 3.057 0.034 0.088 {?} 9.540 0.113 0.158 {?} 38.160 0.829 1.050 74.760 21.212 0 0 1912 {?} 1.728 0.043 0.037 {?} 7.398 0.097 0.074 {?} 37.968 0.865 0.656 527.663 2.753 0 0 1913 {?} 1.860 0.055 0.044 {?} 7.102 0.162 0.085 {?} 37.938 0.990 0.529 99.044 12.001 0 0 1914 {76.HB} 1.861 0.026 0.037 {76.HA} 4.151 0.073 0.164 {76.CB} 37.924 1.023 1.037 208.260 21.774 0 0 1915 {35.HB 35.HB} 1.727 0.026 0.037 {32.HA2 32.HA3} 3.999 0.073 0.164 {35.CB 35.CB} 37.939 1.023 1.037 277.750 21.774 0 0 1916 {35.HB} 1.725 0.060 0.085 {35.HA} 3.656 0.128 0.168 {35.CB} 37.992 1.099 1.766 598.354 12.199 0 0 1917 {132.HB2} 2.275 0.079 0.129 {132.HA} 3.574 0.177 0.254 {132.CB} 38.034 1.174 1.962 85.162 17.872 0 0 1918 {?} 1.851 0.055 0.082 {?} 2.374 0.085 0.171 {?} 37.972 0.830 1.542 84.156 3.308 0 0 1919 {132.HB3} 1.692 0.044 0.074 {132.HB2} 2.282 0.092 0.185 {132.CB} 38.044 0.906 1.698 316.745 6.829 0 0 1920 {?} 1.720 0.040 0.072 {?} 2.100 0.156 0.285 {?} 37.940 0.844 1.646 734.111 6.739 0 0 1921 {132.HB2} 2.274 0.016 0.022 {132.HB3} 1.709 0.097 0.131 {132.CB} 37.953 1.169 1.555 629.586 5.991 0 0 1922 {35.HB} 1.724 0.038 0.119 {35.HB} 1.737 0.085 0.181 {35.CB} 37.912 0.797 1.138 1516.770 6.058 0 0 1923 {?} 0.797 0.016 0.045 {?} 1.746 0.090 0.118 {?} 37.954 1.112 1.422 36.774 7.164 0 0 1924 {35.HB} 1.727 0.031 0.027 {35.HG12} 1.294 0.118 0.093 {35.CB} 37.903 0.806 0.639 418.710 8.609 0 0 1925 {?} 2.268 0.033 0.076 {?} 1.184 0.095 0.232 {?} 38.052 0.778 2.212 180.886 11.194 0 0 1926 {?} 1.727 0.050 0.099 {?} 0.815 0.117 0.188 {?} 37.950 0.894 1.295 1003.390 6.635 0 0 1927 {?} 0.796 0.050 0.052 {?} 0.796 0.154 0.161 {?} 38.122 0.760 0.806 23.151 10.494 0 0 1928 {132.HB3 132.HB3 132.HB3} 1.685 0.024 0.019 {132.HD11 132.HD12 132.HD13} 0.603 0.157 0.118 {132.CB 132.CB 132.CB} 38.027 0.840 0.619 342.523 17.490 0 0 1929 {132.HB2 132.HB2 132.HB2 132.HB2 132.HB2 132.HB2} 2.278 0.024 0.019 {132.HD11 132.HD12 132.HD13 132.HD21 132.HD22 132.HD23} 0.589 0.157 0.118 {132.CB 132.CB 132.CB 132.CB 132.CB 132.CB} 38.048 0.840 0.619 117.044 17.490 0 0 1930 {76.HB} 1.862 0.037 0.052 {76.HG12} 0.562 0.161 0.230 {76.CB} 37.967 1.046 1.909 274.596 15.374 0 0 1931 {35.HB 35.HB 35.HB} 1.727 0.037 0.052 {35.HD11 35.HD12 35.HD13} 0.356 0.161 0.230 {35.CB 35.CB 35.CB} 37.995 1.046 1.909 114.718 15.750 0 0 1932 {76.HB 76.HB 76.HB} 1.852 0.037 0.052 {76.HD11 76.HD12 76.HD13} -0.433 0.161 0.230 {76.CB 76.CB 76.CB} 37.961 1.046 1.909 126.299 1.778 0 0 1933 {76.HB 76.HB 76.HB} 1.815 0.037 0.052 {76.HD11 76.HD12 76.HD13} -0.445 0.161 0.230 {76.CB 76.CB 76.CB} 38.055 1.046 1.909 43.756 4.836 0 0 1934 {?} 2.481 0.041 0.038 {?} 7.687 0.076 0.154 {?} 37.266 0.694 0.614 200.222 5.695 0 0 1935 {64.HG3} 2.289 0.092 0.142 {65.H} 7.693 0.117 0.367 {64.CG} 37.218 1.175 1.974 328.243 4.691 0 0 1936 {50.HB2} 1.700 0.092 0.142 {50.HA} 5.239 0.117 0.367 {50.CB} 37.297 1.175 1.974 66.400 11.082 0 0 1937 {?} 1.694 0.036 0.070 {?} 3.039 0.126 0.181 {?} 37.240 0.803 1.888 181.235 5.898 0 0 1938 {?} 1.289 0.036 0.070 {?} 3.042 0.126 0.181 {?} 37.224 0.803 1.888 84.513 5.898 0 0 1939 {50.HB3 50.HB3} 1.295 0.036 0.070 {50.HB2 50.HD3} 1.688 0.126 0.181 {50.CB 50.CB} 37.169 0.803 1.888 117.591 5.898 0 0 1940 {50.HB3} 1.298 0.047 0.067 {50.HB3} 1.306 0.156 0.222 {50.CB} 37.213 0.963 1.994 136.933 6.996 0 0 1941 {?} 0.842 0.047 0.067 {?} 0.865 0.156 0.222 {?} 37.391 0.963 1.994 182.003 6.996 0 0 1942 {?} 1.296 0.047 0.067 {?} 0.793 0.156 0.222 {?} 37.189 0.963 1.994 254.759 6.996 0 0 1943 {?} 1.850 0.047 0.067 {?} 9.088 0.156 0.222 {?} 36.826 0.963 1.994 306.021 2.061 0 0 1944 {?} 2.313 0.047 0.067 {?} 8.901 0.156 0.222 {?} 36.928 0.963 1.994 258.742 3.063 0 0 1945 {?} 1.687 0.027 0.084 {?} 8.732 0.149 0.261 {?} 37.079 0.984 1.981 85.323 2.792 0 0 1946 {?} 2.313 0.022 0.023 {?} 8.269 0.116 0.122 {?} 36.849 0.842 0.880 174.299 3.938 0 0 1947 {?} 2.217 0.045 0.048 {?} 8.281 0.102 0.249 {?} 37.011 1.127 1.225 67.004 2.751 0 0 1948 {?} 1.849 0.035 0.066 {?} 8.008 0.126 0.181 {?} 36.756 0.758 1.841 103.361 1.766 0 0 1949 {?} 2.317 0.040 0.100 {?} 7.966 0.126 0.181 {?} 37.020 0.805 1.928 138.020 2.389 0 0 1950 {30.HG2 30.HG3 34.HG3} 2.223 0.047 0.067 {32.H 32.H 32.H} 7.952 0.161 0.229 {30.CG 30.CG 34.CG} 36.942 1.022 2.151 83.385 4.570 0 0 1951 {?} 2.578 0.047 0.067 {?} 7.622 0.143 0.205 {?} 36.826 1.140 2.010 140.345 7.041 0 0 1952 {?} 3.296 0.047 0.067 {?} 7.599 0.143 0.205 {?} 36.908 1.140 2.010 149.624 7.068 0 0 1953 {?} 3.806 0.020 0.005 {?} 7.461 0.157 0.108 {?} 36.883 0.950 0.241 127.011 1.757 0 0 1954 {?} 3.302 0.049 0.057 {?} 7.355 0.159 0.193 {?} 36.920 0.825 1.042 192.017 3.630 0 0 1955 {?} 2.580 0.027 0.021 {?} 6.652 0.153 0.117 {?} 36.953 1.118 0.847 155.748 3.079 0 0 1956 {11.HB2} 3.802 0.037 0.041 {11.HD1} 6.591 0.051 0.134 {11.CB} 36.738 0.925 1.015 52.476 3.382 0 0 1957 {11.HB3} 3.464 0.047 0.067 {11.HD1} 6.591 0.182 0.260 {11.CB} 36.868 0.895 2.028 175.220 5.272 0 0 1958 {50.HB3} 1.287 0.037 0.052 {50.HA} 5.220 0.178 0.254 {50.CB} 36.999 0.933 2.000 161.338 5.255 0 0 1959 {158.HB} 1.842 0.037 0.052 {158.HA} 5.165 0.178 0.254 {158.CB} 36.770 0.933 2.000 183.364 2.521 0 0 1960 {?} 2.322 0.037 0.052 {?} 4.855 0.178 0.254 {?} 36.869 0.933 2.000 49.294 2.321 0 0 1961 {103.HB2} 3.299 0.079 0.112 {103.HA} 4.774 0.138 0.197 {103.CB} 36.898 0.970 1.969 71.328 3.829 0 0 1962 {11.HB2} 3.800 0.036 0.049 {11.HA} 4.531 0.128 0.201 {11.CB} 36.826 0.835 1.362 197.051 2.178 0 0 1963 {64.HG2 64.HG3} 2.217 0.071 0.116 {63.HA2 63.HA2} 4.404 0.200 0.285 {64.CG 64.CG} 36.960 1.020 1.849 232.903 2.735 0 0 1964 {31.HG2 31.HG3} 2.475 0.043 0.047 {31.HA 31.HA} 4.301 0.133 0.154 {31.CG 31.CG} 36.942 0.843 0.958 1049.681 3.910 0 0 1965 {64.HG3} 2.309 0.026 0.021 {64.HA} 4.293 0.097 0.030 {64.CG} 36.890 0.550 0.379 797.918 3.966 0 0 1966 {50.HB2} 1.691 0.053 0.082 {84.HA3} 4.305 0.109 0.142 {50.CB} 37.156 1.141 1.524 93.430 3.310 0 0 1967 {?} 2.458 0.022 0.017 {?} 4.084 0.143 0.117 {?} 36.751 0.976 0.731 843.374 1.923 0 0 1968 {11.HB2} 3.796 0.030 0.022 {11.HB2} 3.809 0.112 0.069 {11.CB} 36.732 1.235 0.760 78.967 7.517 0 0 1969 {11.HB3} 3.485 0.029 0.036 {11.HB2} 3.809 0.120 0.161 {11.CB} 36.790 0.749 0.937 129.941 10.845 0 0 1970 {11.HB2} 3.803 0.065 0.028 {11.HB3} 3.479 0.128 0.066 {11.CB} 36.844 1.482 0.690 38.155 11.887 0 0 1971 {103.HB3} 2.581 0.044 0.036 {103.HB2} 3.326 0.128 0.105 {103.CB} 36.855 1.022 0.811 109.134 174.262 0 0 1972 {?} 2.469 0.041 0.037 {?} 3.312 0.106 0.089 {?} 36.987 1.392 1.186 217.630 6.392 0 0 1973 {?} 2.220 0.075 0.074 {?} 3.209 0.149 0.148 {?} 36.908 1.311 1.301 351.304 21.574 0 0 1974 {?} 2.913 0.054 0.046 {?} 2.922 0.092 0.073 {?} 36.844 0.784 0.620 414.853 655.272 0 0 1975 {103.HB2} 3.296 0.065 0.069 {103.HB3} 2.598 0.085 0.095 {103.CB} 36.838 1.263 1.466 84.541 12.941 0 0 1976 {31.HG2 31.HG3 87.HG3 91.HG3} 2.462 0.034 0.021 {31.HG2 31.HG3 87.HG3 91.HG3} 2.476 0.059 0.030 {31.CG 31.CG 87.CG 91.CG} 36.711 0.933 0.469 17124.184 4.019 0 0 1977 {158.HB} 1.849 0.023 0.072 {167.HB} 2.210 0.074 0.176 {158.CB} 36.773 1.217 1.739 201.229 8.115 0 0 1978 {?} 0.760 0.037 0.044 {?} 1.878 0.044 0.054 {?} 36.790 1.039 1.290 66.836 3.214 0 0 1979 {?} 2.468 0.041 0.131 {?} 1.796 0.110 0.218 {?} 37.017 1.082 2.182 697.682 6.236 0 0 1980 {64.HG3} 2.311 0.041 0.131 {62.HB3} 1.737 0.110 0.218 {64.CG} 36.967 1.082 2.182 959.904 2.383 0 0 1981 {64.HG3} 2.218 0.033 0.040 {62.HB3} 1.698 0.096 0.131 {64.CG} 36.951 0.894 1.222 271.629 2.561 0 0 1982 {?} 3.311 0.036 0.049 {?} 1.492 0.115 0.166 {?} 36.872 0.931 1.461 189.085 37.078 0 0 1983 {?} 2.564 0.047 0.067 {?} 1.482 0.115 0.164 {?} 36.975 0.965 1.805 129.985 28.216 0 0 1984 {34.HG3} 2.218 0.047 0.067 {35.HG12} 1.279 0.115 0.164 {34.CG} 36.930 0.965 1.805 97.660 35.718 0 0 1985 {?} 2.474 0.047 0.067 {?} 0.971 0.115 0.164 {?} 37.057 0.965 1.805 760.400 4.771 0 0 1986 {64.HG3} 2.304 0.047 0.067 {62.HD21} 0.962 0.115 0.164 {64.CG} 36.866 0.965 1.805 1379.009 4.771 0 0 1987 {64.HG3 64.HG3} 2.223 0.065 0.195 {62.HD13 62.HD21} 0.960 0.081 0.233 {64.CG 64.CG} 36.718 1.056 1.508 222.509 4.113 0 0 1988 {158.HB 158.HB 158.HB} 1.848 0.065 0.195 {158.HD11 158.HD12 158.HD13} 0.826 0.081 0.233 {158.CB 158.CB 158.CB} 36.802 1.056 1.508 744.974 4.611 0 0 1989 {?} 0.761 0.065 0.195 {?} 0.799 0.081 0.233 {?} 36.821 1.056 1.508 5.877 4.838 0 0 1990 {103.HB2 103.HB2 103.HB2} 3.301 0.042 0.056 {132.HD11 132.HD12 132.HD13} 0.627 0.041 0.154 {103.CB 103.CB 103.CB} 36.845 1.142 1.780 36.638 20.078 0 0 1991 {?} 2.586 0.042 0.056 {?} 0.644 0.041 0.154 {?} 36.841 1.142 1.780 75.879 20.078 0 0 1992 {?} 3.307 0.042 0.056 {?} 0.291 0.041 0.154 {?} 36.839 1.142 1.780 275.113 20.078 0 0 1993 {103.HB3} 2.584 0.042 0.056 {7.HD13} 0.287 0.041 0.154 {103.CB} 36.878 1.142 1.780 137.293 20.078 0 0 1994 {?} 2.110 0.046 0.078 {?} 9.395 0.139 0.198 {?} 36.187 1.097 2.071 102.192 26.166 0 0 1995 {140.HB 140.HB} 2.106 0.046 0.078 {127.H 145.H} 9.065 0.139 0.198 {140.CB 140.CB} 36.140 1.097 2.071 129.491 26.166 0 0 1996 {?} 0.999 0.046 0.078 {?} 8.752 0.139 0.198 {?} 36.229 1.097 2.071 42.081 26.166 0 0 1997 {?} 3.285 0.024 0.009 {?} 8.022 0.128 0.038 {?} 36.286 1.103 0.330 298.876 27.331 0 0 1998 {8.HB3} 3.011 0.024 0.009 {10.H} 8.024 0.128 0.038 {8.CB} 36.251 1.103 0.330 36.841 27.331 0 0 1999 {91.HG3} 2.443 0.024 0.009 {89.H} 7.840 0.128 0.038 {91.CG} 36.476 1.103 0.330 22.572 27.331 0 0 2000 {133.HB3} 1.818 0.024 0.009 {132.H} 7.640 0.128 0.038 {133.CB} 36.415 1.103 0.330 33.124 27.331 0 0 2001 {133.HB3} 1.745 0.024 0.009 {132.H} 7.635 0.128 0.038 {133.CB} 36.376 1.103 0.330 103.692 27.331 0 0 2002 {8.HB3} 3.017 0.024 0.009 {6.H} 7.410 0.128 0.038 {8.CB} 36.296 1.103 0.330 32.106 27.331 0 0 2003 {?} 2.442 0.040 0.104 {?} 7.408 0.188 0.269 {?} 36.431 1.116 2.169 142.550 5.667 0 0 2004 {?} 2.316 0.040 0.104 {?} 7.406 0.188 0.269 {?} 36.480 1.116 2.169 52.440 5.667 0 0 2005 {?} 3.292 0.040 0.104 {?} 7.145 0.188 0.269 {?} 36.328 1.116 2.169 14.743 5.667 0 0 2006 {?} 1.814 0.040 0.104 {?} 7.142 0.188 0.269 {?} 36.359 1.116 2.169 30.635 14.083 0 0 2007 {?} 2.456 0.029 0.040 {?} 7.008 0.109 0.158 {?} 36.549 1.731 2.107 26.536 5.350 0 0 2008 {?} 2.487 0.029 0.040 {?} 6.990 0.109 0.158 {?} 36.408 1.731 2.107 22.153 5.350 0 0 2009 {8.HB2} 3.281 0.029 0.040 {8.HD1} 6.763 0.109 0.158 {8.CB} 36.309 1.731 2.107 96.228 5.350 0 0 2010 {?} 3.011 0.053 0.079 {?} 6.771 0.102 0.168 {?} 36.359 1.017 1.663 85.740 4.115 0 0 2011 {140.HB} 2.102 0.053 0.079 {140.HA} 4.773 0.102 0.168 {140.CB} 36.118 1.017 1.663 166.458 2.401 0 0 2012 {?} 2.827 0.053 0.079 {?} 4.620 0.102 0.168 {?} 36.182 1.017 1.663 27.031 2.401 0 0 2013 {?} 2.512 0.053 0.079 {?} 4.633 0.102 0.168 {?} 36.286 1.017 1.663 104.821 2.401 0 0 2014 {91.HG3} 2.437 0.053 0.079 {88.HA} 4.643 0.102 0.168 {91.CG} 36.451 1.017 1.663 175.778 2.869 0 0 2015 {133.HB3} 1.752 0.063 0.098 {133.HA} 4.458 0.143 0.225 {133.CB} 36.309 0.789 1.187 254.361 4.872 0 0 2016 {8.HB2} 3.289 0.063 0.098 {9.HA} 4.392 0.143 0.225 {8.CB} 36.249 0.789 1.187 44.861 4.663 0 0 2017 {159.HB} 1.000 0.055 0.075 {159.HA} 4.290 0.087 0.117 {159.CB} 36.157 1.274 1.877 222.773 3.078 0 0 2018 {87.HG3} 2.519 0.062 0.073 {87.HA} 4.258 0.116 0.175 {87.CG} 36.551 1.224 1.603 91.061 2.169 0 0 2019 {34.HG2} 2.393 0.056 0.081 {34.HA} 4.123 0.088 0.119 {34.CG} 36.491 0.876 1.190 1028.414 3.069 0 0 2020 {?} 2.081 0.048 0.029 {?} 4.130 0.102 0.039 {?} 36.175 0.787 0.303 207.356 1.987 0 0 2021 {30.HG2 34.HG2} 2.311 0.036 0.020 {30.HA 34.HA} 4.085 0.099 0.036 {30.CG 34.CG} 36.487 1.018 0.367 1396.014 3.277 0 0 2022 {8.HB2} 3.292 0.052 0.064 {8.HA} 4.009 0.103 0.138 {8.CB} 36.278 0.796 1.038 215.123 2.702 0 0 2023 {8.HB3 8.HB3} 3.011 0.037 0.052 {5.HA 8.HA} 4.011 0.106 0.089 {8.CB 8.CB} 36.277 0.983 0.822 147.908 5.403 0 0 2024 {?} 2.438 0.018 0.018 {?} 3.638 0.073 0.026 {?} 36.369 1.320 0.477 52.604 7.129 0 0 2025 {?} 2.825 0.047 0.012 {?} 3.379 0.202 0.057 {?} 36.152 0.822 0.274 104.697 3.407 0 0 2026 {?} 2.509 0.025 0.016 {?} 3.371 0.085 0.042 {?} 36.197 0.824 0.410 73.743 6.897 0 0 2027 {8.HB2 103.HB2} 3.289 0.028 0.017 {8.HB2 103.HB2} 3.305 0.082 0.048 {8.CB 103.CB} 36.343 1.161 0.682 310.720 8.047 0 0 2028 {8.HB3} 3.020 0.032 0.019 {8.HB2} 3.305 0.093 0.038 {8.CB} 36.297 1.053 0.434 161.949 1.756 0 0 2029 {8.HB2} 3.287 0.049 0.046 {8.HB3} 3.029 0.101 0.090 {8.CB} 36.274 1.332 1.227 231.817 3.403 0 0 2030 {8.HB3} 3.022 0.043 0.061 {8.HB3} 3.028 0.166 0.145 {8.CB} 36.441 1.295 1.049 277.232 8.431 0 0 2031 {133.HB2 133.HB3} 1.815 0.079 0.093 {133.HE3 133.HE3} 3.032 0.102 0.115 {133.CB 133.CB} 36.127 1.431 1.610 209.818 8.431 0 0 2032 {133.HB3} 1.754 0.057 0.075 {133.HE3} 3.003 0.091 0.144 {133.CB} 36.330 0.691 2.113 154.436 14.744 0 0 2033 {?} 2.506 0.036 0.033 {?} 2.826 0.239 0.216 {?} 36.310 0.752 0.690 354.879 11.582 0 0 2034 {?} 2.483 0.043 0.036 {?} 2.828 0.136 0.112 {?} 36.356 0.995 0.863 443.025 6.777 0 0 2035 {87.HG3} 2.517 0.062 0.065 {87.HG3} 2.504 0.170 0.182 {87.CG} 36.564 0.982 1.069 626.680 6.127 0 0 2036 {?} 1.821 0.042 0.041 {?} 2.470 0.101 0.098 {?} 36.225 1.298 1.269 58.723 3.156 0 0 2037 {?} 2.117 0.056 0.036 {?} 2.459 0.111 0.075 {?} 36.441 0.848 0.567 670.705 3.522 0 0 2038 {34.HG2} 2.382 0.015 0.025 {34.HG2} 2.369 0.174 0.155 {34.CG} 36.486 1.114 0.944 19597.344 8.411 0 0 2039 {30.HG2 30.HG3 34.HG2 110.HG3} 2.300 0.026 0.039 {30.HG2 30.HG3 34.HG2 110.HG3} 2.309 0.123 0.081 {30.CG 30.CG 34.CG 110.CG} 36.503 0.883 0.527 14016.104 7.088 0 0 2040 {30.HG2 30.HG3} 2.228 0.012 0.016 {30.HG2 30.HG3} 2.271 0.072 0.097 {30.CG 30.CG} 36.225 0.222 0.300 8837.062 6.929 0 0 2041 {87.HG3} 2.519 0.021 0.020 {87.HB2} 2.163 0.035 0.033 {87.CG} 36.544 0.703 0.670 2041.336 5.676 0 0 2042 {?} 1.813 0.044 0.068 {?} 2.171 0.106 0.171 {?} 36.237 1.000 1.436 239.205 12.433 0 0 2043 {34.HG2} 2.391 0.047 0.067 {34.HB3} 2.098 0.106 0.166 {34.CG} 36.493 0.329 1.085 4385.292 13.643 0 0 2044 {?} 0.963 0.045 0.051 {?} 2.124 0.124 0.144 {?} 36.271 1.110 1.321 28.331 8.078 0 0 2045 {?} 1.013 0.047 0.113 {?} 1.840 0.115 0.235 {?} 36.079 1.112 1.961 70.660 6.700 0 0 2046 {19.HB2 19.HB3 133.HB3} 1.749 0.079 0.138 {19.HB2 19.HB3 133.HB3} 1.788 0.143 0.280 {19.CB 19.CB 133.CB} 36.201 0.955 1.897 2475.000 6.134 0 0 2047 {?} 1.447 0.067 0.043 {?} 1.786 0.040 0.075 {?} 36.315 0.989 0.859 290.448 6.339 0 0 2048 {?} 2.394 0.067 0.043 {?} 1.510 0.040 0.075 {?} 36.448 0.989 0.859 195.925 6.339 0 0 2049 {?} 1.000 0.067 0.043 {?} 1.520 0.040 0.075 {?} 36.228 0.989 0.859 81.258 5.803 0 0 2050 {?} 3.289 0.067 0.043 {?} 1.442 0.040 0.075 {?} 36.485 0.989 0.859 96.212 5.803 0 0 2051 {133.HB3} 1.748 0.041 0.046 {133.HD2} 1.464 0.095 0.109 {133.CB} 36.306 1.394 1.999 469.932 3.015 0 0 2052 {?} 1.445 0.011 0.015 {?} 1.470 0.084 0.116 {?} 36.324 0.930 1.474 307.572 3.391 0 0 2053 {?} 2.441 0.081 0.277 {?} 1.179 0.107 0.154 {?} 36.461 1.758 2.512 287.200 41.629 0 0 2054 {?} 2.313 0.041 0.092 {?} 1.181 0.173 0.224 {?} 36.506 1.098 1.783 473.667 4.977 0 0 2055 {?} 0.789 0.043 0.061 {?} 0.998 0.096 0.100 {?} 36.078 1.318 1.370 277.868 17.931 0 0 2056 {?} -0.367 0.031 0.031 {?} 1.014 0.088 0.194 {?} 36.160 1.329 1.330 55.742 4.955 0 0 2057 {?} 2.395 0.031 0.031 {?} 0.953 0.088 0.194 {?} 36.588 1.329 1.330 529.257 4.955 0 0 2058 {?} 2.106 0.054 0.102 {?} 0.804 0.095 0.246 {?} 36.094 0.835 1.150 1070.116 5.569 0 0 2059 {?} 0.792 0.055 0.079 {?} 0.813 0.164 0.227 {?} 36.214 0.804 1.124 445.639 5.662 0 0 2060 {?} 0.718 0.064 0.206 {?} 0.731 0.184 0.263 {?} 36.251 1.121 2.323 262.252 45.032 0 0 2061 {?} 0.693 0.061 0.187 {?} 0.692 0.139 0.230 {?} 36.318 0.851 1.651 191.396 54.069 0 0 2062 {?} 1.001 0.061 0.187 {?} 0.546 0.139 0.230 {?} 36.078 0.851 1.651 188.314 48.066 0 0 2063 {?} -0.368 0.061 0.187 {?} 0.553 0.139 0.230 {?} 36.211 0.851 1.651 11.773 48.066 0 0 2064 {?} 2.294 0.061 0.187 {?} 0.356 0.139 0.230 {?} 36.528 0.851 1.651 16.427 69.425 0 0 2065 {140.HB} 2.109 0.061 0.187 {16.HG23} 0.244 0.139 0.230 {140.CB} 36.134 0.851 1.651 27.332 69.425 0 0 2066 {?} -0.370 0.063 0.134 {?} -0.347 0.191 0.284 {?} 36.149 1.041 1.867 25.732 7.028 0 0 2067 {?} 1.814 0.060 0.152 {?} 9.549 0.176 0.252 {?} 35.922 0.867 1.833 123.440 8.875 0 0 2068 {?} 1.748 0.055 0.082 {?} 9.213 0.096 0.157 {?} 35.704 1.325 1.716 194.412 4.305 0 0 2069 {?} 2.272 0.016 0.022 {?} 8.839 0.146 0.092 {?} 35.807 0.909 0.519 425.387 28.304 0 0 2070 {?} 2.228 0.016 0.022 {?} 8.835 0.146 0.092 {?} 35.873 0.909 0.519 527.326 28.304 0 0 2071 {?} 2.153 0.033 0.025 {?} 8.764 0.099 0.074 {?} 35.722 0.608 0.450 243.921 22.990 0 0 2072 {?} 1.817 0.027 0.029 {?} 8.192 0.124 0.145 {?} 35.890 0.906 0.957 385.401 7.145 0 0 2073 {?} 1.000 0.043 0.061 {?} 8.125 0.096 0.155 {?} 35.981 1.212 1.701 268.893 3.531 0 0 2074 {?} 2.165 0.049 0.090 {?} 7.995 0.105 0.163 {?} 35.613 1.209 1.674 29.744 5.553 0 0 2075 {165.HG3} 2.155 0.040 0.040 {163.H} 7.681 0.081 0.080 {165.CG} 35.638 1.358 1.347 222.217 4.405 0 0 2076 {133.HB2} 1.870 0.040 0.040 {135.H} 7.565 0.081 0.080 {133.CB} 35.905 1.358 1.347 61.649 4.405 0 0 2077 {?} 0.994 0.040 0.040 {?} 7.078 0.081 0.080 {?} 35.988 1.358 1.347 131.819 4.405 0 0 2078 {?} 2.825 0.041 0.041 {?} 6.617 0.136 0.133 {?} 35.908 1.491 1.474 31.771 3.425 0 0 2079 {19.HB2 19.HB3} 1.808 0.074 0.081 {18.HA 20.HA} 5.405 0.119 0.170 {19.CB 19.CB} 35.884 1.502 1.897 79.773 6.077 0 0 2080 {159.HB 159.HB} 0.997 0.036 0.053 {118.HA 158.HA} 5.159 0.072 0.080 {159.CB 159.CB} 35.943 1.433 1.565 135.082 6.290 0 0 2081 {155.HG2} 2.275 0.062 0.043 {155.HA} 5.003 0.100 0.059 {155.CG} 35.864 0.798 0.473 327.086 3.460 0 0 2082 {155.HG2} 2.230 0.038 0.040 {155.HA} 5.003 0.156 0.169 {155.CG} 35.850 1.235 1.361 102.681 3.777 0 0 2083 {?} 1.899 0.024 0.075 {?} 4.879 0.111 0.180 {?} 35.846 1.247 1.549 176.448 1.679 0 0 2084 {45.HB2} 1.814 0.045 0.064 {45.HA} 4.871 0.100 0.127 {45.CB} 35.951 1.154 1.433 159.737 2.123 0 0 2085 {45.HB2} 1.760 0.029 0.026 {45.HA} 4.865 0.116 0.080 {45.CB} 35.777 1.093 0.758 208.310 2.245 0 0 2086 {165.HG3} 2.155 0.036 0.027 {165.HA} 4.628 0.133 0.190 {165.CG} 35.677 0.715 0.538 336.209 3.539 0 0 2087 {19.HB2 19.HB3} 1.816 0.038 0.032 {19.HA 19.HA} 4.615 0.137 0.097 {19.CB 19.CB} 35.895 0.897 0.674 340.275 2.330 0 0 2088 {165.HG3} 2.152 0.038 0.032 {163.HA} 4.190 0.137 0.097 {165.CG} 35.710 0.897 0.674 259.048 2.727 0 0 2089 {?} 1.903 0.041 0.036 {?} 4.115 0.045 0.040 {?} 35.908 1.176 1.048 74.121 3.308 0 0 2090 {155.HG2} 2.229 0.046 0.021 {154.HA} 4.020 0.030 0.010 {155.CG} 35.942 1.387 0.454 111.021 3.337 0 0 2091 {140.HB 165.HG3} 2.153 0.040 0.050 {144.HA3 164.HA} 3.890 0.102 0.127 {140.CB 165.CG} 35.704 1.128 1.428 56.171 2.913 0 0 2092 {?} 2.093 0.037 0.025 {?} 3.811 0.078 0.045 {?} 35.718 1.346 0.754 28.367 1.771 0 0 2093 {?} 1.907 0.037 0.025 {?} 3.473 0.078 0.045 {?} 35.781 1.346 0.754 40.719 1.771 0 0 2094 {?} 1.767 0.036 0.026 {?} 3.483 0.136 0.076 {?} 35.721 1.079 0.620 104.801 1.813 0 0 2095 {?} 2.218 0.036 0.026 {?} 3.419 0.136 0.076 {?} 35.951 1.079 0.620 92.057 1.813 0 0 2096 {45.HB2} 1.759 0.042 0.035 {45.HE3} 3.287 0.124 0.108 {45.CB} 35.775 0.897 0.785 90.925 2.089 0 0 2097 {165.HG3} 2.152 0.030 0.035 {160.HB2} 2.994 0.047 0.056 {165.CG} 35.648 1.120 1.387 132.785 2.413 0 0 2098 {?} 1.767 0.022 0.006 {?} 2.683 0.172 0.054 {?} 35.795 1.211 0.309 71.798 2.125 0 0 2099 {?} 2.019 0.047 0.055 {?} 2.267 0.035 0.095 {?} 35.802 1.009 1.240 495.696 2.177 0 0 2100 {165.HG3} 2.153 0.067 0.080 {165.HG3} 2.164 0.109 0.133 {165.CG} 35.719 1.272 1.487 8069.870 1.878 0 0 2101 {?} 1.946 0.043 0.104 {?} 2.162 0.080 0.171 {?} 35.731 1.072 2.145 112.017 1.833 0 0 2102 {19.HB2 19.HB3 133.HB2} 1.815 0.041 0.037 {19.HB2 19.HB3 133.HB2} 1.824 0.104 0.093 {19.CB 19.CB 133.CB} 35.967 1.177 1.055 4867.182 1.796 0 0 2103 {?} 1.507 0.034 0.015 {?} 1.828 0.054 0.048 {?} 35.872 1.083 0.437 693.558 2.088 0 0 2104 {?} 1.338 0.034 0.015 {?} 1.828 0.054 0.048 {?} 35.877 1.083 0.437 325.842 1.687 0 0 2105 {165.HG3 165.HG3} 2.156 0.065 0.076 {165.HB3 165.HG2} 1.680 0.053 0.162 {165.CG 165.CG} 35.646 1.363 1.744 749.971 2.985 0 0 2106 {133.HB2 133.HB3} 1.815 0.034 0.027 {133.HG2 133.HG2} 1.395 0.178 0.118 {133.CB 133.CB} 35.918 0.894 0.697 1856.904 3.666 0 0 2107 {165.HG3 165.HG3} 2.154 0.023 0.015 {163.HB2 163.HB3} 1.275 0.113 0.074 {165.CG 165.CG} 35.599 1.221 0.804 924.944 3.094 0 0 2108 {?} 1.905 0.038 0.089 {?} 1.205 0.126 0.181 {?} 35.777 1.023 2.196 532.019 1.834 0 0 2109 {159.HB} 1.002 0.037 0.052 {159.HB} 1.006 0.046 0.148 {159.CB} 35.977 0.987 1.447 1518.239 4.094 0 0 2110 {?} 2.152 0.037 0.052 {?} 0.973 0.046 0.148 {?} 35.586 0.987 1.447 2038.407 4.094 0 0 2111 {?} 2.102 0.037 0.052 {?} 0.966 0.046 0.148 {?} 36.013 0.987 1.447 546.781 3.416 0 0 2112 {?} 0.524 0.037 0.052 {?} 0.955 0.046 0.148 {?} 35.966 0.987 1.447 123.178 3.037 0 0 2113 {?} 0.523 0.041 0.063 {?} 0.546 0.123 0.197 {?} 35.992 0.822 1.419 63.255 6.970 0 0 2114 {?} 2.014 0.043 0.052 {?} 0.534 0.118 0.151 {?} 35.633 0.679 0.820 65.709 1.780 0 0 2115 {159.HB 159.HB 159.HB} 1.004 0.042 0.098 {159.HG11 159.HG12 159.HG13} -0.351 0.063 0.116 {159.CB 159.CB 159.CB} 36.015 1.382 1.974 514.276 6.956 0 0 2116 {?} 0.524 0.042 0.098 {?} -0.334 0.063 0.116 {?} 36.020 1.382 1.974 19.937 6.956 0 0 2117 {142.HG2} 2.289 0.042 0.098 {142.H} 9.146 0.063 0.116 {142.CG} 35.211 1.382 1.974 356.327 6.956 0 0 2118 {126.HB3} 2.021 0.042 0.079 {142.H} 9.153 0.155 0.210 {126.CB} 35.262 0.927 1.395 200.676 5.374 0 0 2119 {?} 2.177 0.042 0.079 {?} 9.097 0.155 0.210 {?} 35.096 0.927 1.395 137.073 5.374 0 0 2120 {?} 2.078 0.042 0.079 {?} 7.515 0.155 0.210 {?} 35.442 0.927 1.395 182.429 5.374 0 0 2121 {?} 2.076 0.040 0.069 {?} 6.580 0.057 0.102 {?} 35.447 1.507 2.153 53.612 4.154 0 0 2122 {126.HB2} 2.294 0.035 0.050 {126.HA} 5.538 0.103 0.074 {126.CB} 35.147 0.815 0.583 162.589 9.265 0 0 2123 {126.HB3} 2.022 0.035 0.050 {126.HA} 5.526 0.103 0.074 {126.CB} 35.185 0.815 0.583 55.065 9.265 0 0 2124 {95.HB} 2.076 0.083 0.150 {95.HA} 5.024 0.178 0.235 {95.CB} 35.443 1.138 1.385 219.109 3.554 0 0 2125 {142.HG2 157.HB2} 2.297 0.054 0.072 {124.HA 157.HA} 4.681 0.134 0.208 {142.CG 157.CB} 35.140 1.253 1.440 721.885 2.552 0 0 2126 {126.HB2} 2.288 0.047 0.077 {126.HD3} 3.453 0.107 0.153 {126.CB} 35.275 1.120 1.386 353.624 2.894 0 0 2127 {126.HB3} 2.024 0.036 0.038 {126.HD3} 3.474 0.063 0.068 {126.CB} 35.297 0.803 0.868 150.975 5.330 0 0 2128 {?} 1.740 0.036 0.038 {?} 3.204 0.063 0.068 {?} 35.387 0.803 0.868 280.978 5.330 0 0 2129 {157.HB3} 2.182 0.036 0.038 {157.HG2} 2.720 0.063 0.068 {157.CB} 35.047 0.803 0.868 234.149 5.330 0 0 2130 {?} 2.089 0.036 0.038 {?} 1.229 0.063 0.068 {?} 35.385 0.803 0.868 916.783 5.330 0 0 2131 {?} 2.320 0.037 0.043 {?} 0.556 0.049 0.065 {?} 35.018 0.769 1.022 110.190 6.333 0 0 2132 {95.HB 95.HB 95.HB} 2.071 0.037 0.043 {95.HG21 95.HG22 95.HG23} 0.536 0.049 0.065 {95.CB 95.CB 95.CB} 35.417 0.769 1.022 231.077 1.620 0 0 2133 {116.HB} 2.176 0.035 0.094 {59.H} 9.277 0.038 0.073 {116.CB} 34.777 1.016 2.181 9.022 2.148 0 0 2134 {?} 2.830 0.050 0.156 {?} 8.878 0.095 0.228 {?} 34.694 0.857 2.004 48.822 3.974 0 0 2135 {?} 2.354 0.048 0.110 {?} 8.886 0.027 0.047 {?} 34.886 0.911 1.870 297.933 5.349 0 0 2136 {?} 2.183 0.039 0.061 {?} 8.448 0.109 0.191 {?} 34.961 1.077 1.538 117.499 3.438 0 0 2137 {?} 2.833 0.039 0.061 {?} 8.115 0.109 0.191 {?} 34.861 1.077 1.538 53.873 3.795 0 0 2138 {?} 2.333 0.028 0.056 {?} 8.122 0.114 0.219 {?} 34.740 0.749 1.864 185.631 5.033 0 0 2139 {?} 1.732 0.038 0.109 {?} 7.499 0.111 0.193 {?} 34.775 1.152 2.125 234.720 4.762 0 0 2140 {?} 1.560 0.038 0.109 {?} 7.467 0.111 0.193 {?} 34.713 1.152 2.125 102.373 3.648 0 0 2141 {?} 1.974 0.038 0.109 {?} 7.140 0.111 0.193 {?} 34.651 1.152 2.125 97.799 3.648 0 0 2142 {?} 1.561 0.038 0.109 {?} 7.139 0.111 0.193 {?} 34.674 1.152 2.125 66.240 3.786 0 0 2143 {?} 1.730 0.038 0.109 {?} 7.019 0.111 0.193 {?} 34.818 1.152 2.125 306.004 3.786 0 0 2144 {?} 2.172 0.038 0.109 {?} 6.906 0.111 0.193 {?} 34.745 1.152 2.125 143.481 5.930 0 0 2145 {?} 2.832 0.038 0.109 {?} 6.194 0.111 0.193 {?} 34.773 1.152 2.125 110.261 6.262 0 0 2146 {?} 2.353 0.038 0.109 {?} 6.207 0.111 0.193 {?} 34.746 1.152 2.125 24.071 2.626 0 0 2147 {?} 2.179 0.040 0.112 {?} 5.939 0.112 0.203 {?} 34.896 0.832 2.154 55.742 22.603 0 0 2148 {?} 1.716 0.040 0.112 {?} 5.480 0.112 0.203 {?} 34.863 0.832 2.154 133.835 4.037 0 0 2149 {116.HB} 2.176 0.040 0.112 {59.HA} 5.288 0.112 0.203 {116.CB} 34.619 0.832 2.154 276.631 4.746 0 0 2150 {116.HB} 2.157 0.040 0.112 {59.HA} 5.288 0.112 0.203 {116.CB} 34.649 0.832 2.154 138.927 5.703 0 0 2151 {127.HB} 1.716 0.040 0.112 {127.HA} 4.718 0.112 0.203 {127.CB} 34.856 0.832 2.154 18.934 5.242 0 0 2152 {165.HB2} 1.971 0.010 0.038 {165.HA} 4.617 0.121 0.163 {165.CB} 34.627 0.785 1.571 16.693 4.043 0 0 2153 {71.HB3} 1.558 0.012 0.038 {71.HA} 4.617 0.081 0.135 {71.CB} 34.683 0.683 1.171 137.674 11.931 0 0 2154 {?} 2.825 0.012 0.038 {?} 4.123 0.081 0.135 {?} 34.725 0.683 1.171 144.501 11.931 0 0 2155 {?} 1.979 0.012 0.038 {?} 3.031 0.081 0.135 {?} 34.684 0.683 1.171 191.424 11.931 0 0 2156 {?} 1.573 0.046 0.101 {?} 3.028 0.107 0.204 {?} 34.624 0.838 1.952 137.270 2.574 0 0 2157 {?} 2.342 0.032 0.056 {?} 2.803 0.049 0.093 {?} 34.755 1.104 1.577 315.865 4.116 0 0 2158 {?} 1.568 0.060 0.232 {?} 2.010 0.100 0.143 {?} 34.674 0.734 2.308 713.455 1.893 0 0 2159 {?} 1.377 0.060 0.232 {?} 2.007 0.100 0.143 {?} 34.670 0.734 2.308 65.130 2.005 0 0 2160 {?} 1.981 0.043 0.125 {?} 1.564 0.113 0.204 {?} 34.686 0.804 2.095 1911.404 2.628 0 0 2161 {71.HB3} 1.564 0.035 0.051 {71.HB3} 1.560 0.054 0.086 {71.CB} 34.649 0.902 1.713 2120.140 4.778 0 0 2162 {?} 2.342 0.038 0.116 {?} 1.506 0.126 0.257 {?} 34.899 0.762 1.935 359.262 6.695 0 0 2163 {?} 1.726 0.044 0.147 {?} 1.007 0.092 0.232 {?} 34.826 0.841 2.203 1348.942 5.213 0 0 2164 {?} 1.724 0.044 0.147 {?} 0.845 0.092 0.232 {?} 34.830 0.841 2.203 1351.205 6.360 0 0 2165 {?} 0.822 0.028 0.041 {?} 0.842 0.093 0.157 {?} 34.736 1.159 1.951 41.846 3.857 0 0 2166 {?} 1.727 0.036 0.198 {?} 0.623 0.104 0.181 {?} 34.763 1.062 2.177 297.195 5.163 0 0 2167 {?} 2.176 0.051 0.082 {?} 0.550 0.054 0.158 {?} 34.881 1.396 1.630 118.383 4.818 0 0 2168 {?} 1.945 0.009 0.022 {?} 8.769 0.084 0.087 {?} 34.278 0.475 0.491 425.287 7.698 0 0 2169 {?} 1.665 0.041 0.059 {?} 8.768 0.146 0.208 {?} 34.362 0.945 2.178 261.425 4.855 0 0 2170 {?} 1.983 0.042 0.064 {?} 7.865 0.227 0.341 {?} 33.929 0.770 1.298 848.550 4.044 0 0 2171 {?} 1.465 0.026 0.037 {?} 7.871 0.101 0.144 {?} 34.064 0.908 1.297 110.440 8.313 0 0 2172 {?} 1.935 0.047 0.067 {?} 7.676 0.106 0.152 {?} 34.311 0.915 1.307 358.846 2.429 0 0 2173 {?} 1.663 0.051 0.129 {?} 7.672 0.089 0.357 {?} 34.387 1.206 2.100 65.758 2.469 0 0 2174 {?} 1.484 0.051 0.094 {?} 7.215 0.182 0.259 {?} 34.113 1.207 1.724 182.192 2.696 0 0 2175 {18.HB2} 2.636 0.051 0.094 {11.HD1} 6.583 0.182 0.259 {18.CB} 33.932 1.207 1.724 27.186 4.114 0 0 2176 {18.HB3} 2.444 0.051 0.094 {11.HD1} 6.588 0.182 0.259 {18.CB} 33.899 1.207 1.724 93.880 2.000 0 0 2177 {165.HB3} 1.664 0.039 0.089 {165.HA} 4.621 0.157 0.225 {165.CB} 34.365 0.893 2.088 348.534 3.585 0 0 2178 {?} 2.641 0.040 0.077 {?} 4.592 0.123 0.176 {?} 34.023 0.847 2.092 64.265 4.790 0 0 2179 {89.HB2 89.HB3} 1.458 0.046 0.099 {86.HA 86.HA} 4.131 0.045 0.236 {89.CB 89.CB} 34.036 0.931 2.070 81.836 5.179 0 0 2180 {165.HB3} 1.663 0.053 0.132 {164.HA} 3.902 0.091 0.225 {165.CB} 34.232 1.175 1.679 50.494 3.628 0 0 2181 {?} 1.460 0.051 0.049 {?} 3.738 0.140 0.135 {?} 34.035 1.481 1.393 167.086 2.682 0 0 2182 {89.HB2 89.HB2 89.HB3} 1.458 0.043 0.083 {88.HG2 89.HA 89.HA} 2.805 0.111 0.235 {89.CB 89.CB 89.CB} 34.069 0.867 1.948 138.818 4.704 0 0 2183 {165.HB3} 1.668 0.060 0.174 {165.HG3} 2.162 0.200 0.286 {165.CB} 34.327 0.895 2.122 1015.394 3.157 0 0 2184 {89.HB2 89.HB3} 1.473 0.040 0.101 {89.HG3 89.HG3} 2.009 0.198 0.338 {89.CB 89.CB} 34.081 0.800 1.788 863.884 2.002 0 0 2185 {165.HB3} 1.665 0.037 0.101 {165.HB2} 1.961 0.102 0.285 {165.CB} 34.344 0.876 2.089 4209.656 2.268 0 0 2186 {?} 1.405 0.037 0.101 {?} 1.779 0.102 0.285 {?} 33.914 0.876 2.089 682.323 1.885 0 0 2187 {165.HB2 165.HB2} 1.944 0.053 0.059 {165.HB3 165.HG2} 1.678 0.094 0.105 {165.CB 165.CB} 34.366 0.745 0.836 488.980 2.936 0 0 2188 {165.HB3} 1.666 0.065 0.120 {165.HB3} 1.678 0.108 0.181 {165.CB} 34.349 1.009 2.031 3948.021 6.480 0 0 2189 {165.HB3 165.HB3} 1.668 0.035 0.056 {163.HB2 163.HB3} 1.280 0.067 0.233 {165.CB 165.CB} 34.328 0.843 1.446 288.795 4.365 0 0 2190 {89.HB2 89.HB3} 1.468 0.047 0.092 {89.HG2 89.HG2} 1.212 0.206 0.294 {89.CB 89.CB} 34.075 0.462 2.363 540.499 3.397 0 0 2191 {?} 2.060 0.044 0.067 {?} 9.644 0.086 0.273 {?} 33.396 0.400 1.482 143.665 4.069 0 0 2192 {?} 2.441 0.058 0.082 {?} 8.628 0.192 0.274 {?} 33.489 1.044 1.973 213.300 4.367 0 0 2193 {?} 2.630 0.049 0.071 {?} 8.187 0.212 0.303 {?} 33.841 1.507 2.153 186.526 5.021 0 0 2194 {?} 2.442 0.058 0.082 {?} 8.191 0.094 0.272 {?} 33.847 1.545 2.207 195.852 2.823 0 0 2195 {?} 1.846 0.033 0.051 {?} 8.035 0.053 0.158 {?} 33.439 0.790 1.270 101.561 1.802 0 0 2196 {?} 2.028 0.068 0.097 {?} 7.977 0.211 0.301 {?} 33.422 1.057 1.987 798.553 2.859 0 0 2197 {?} 2.507 0.056 0.124 {?} 7.639 0.184 0.262 {?} 33.414 0.961 2.113 551.915 7.694 0 0 2198 {164.HG2} 2.473 0.052 0.132 {163.H} 7.640 0.183 0.262 {164.CG} 33.374 0.920 2.010 462.070 6.254 0 0 2199 {?} 2.037 0.035 0.071 {?} 7.647 0.087 0.214 {?} 33.459 0.854 1.998 433.323 3.956 0 0 2200 {?} 2.426 0.035 0.071 {?} 7.403 0.087 0.214 {?} 33.517 0.854 1.998 275.842 3.956 0 0 2201 {?} 2.631 0.035 0.071 {?} 7.344 0.087 0.214 {?} 33.637 0.854 1.998 186.835 8.854 0 0 2202 {39.HG3} 2.508 0.035 0.071 {38.H} 7.344 0.087 0.214 {39.CG} 33.494 0.854 1.998 256.294 8.854 0 0 2203 {?} 2.996 0.035 0.071 {?} 7.315 0.087 0.214 {?} 33.533 0.854 1.998 152.990 8.854 0 0 2204 {?} 2.892 0.028 0.011 {?} 6.996 0.220 0.090 {?} 33.353 1.410 0.510 131.003 2.715 0 0 2205 {?} 2.799 0.044 0.070 {?} 6.991 0.052 0.073 {?} 33.420 1.553 2.065 165.259 3.801 0 0 2206 {18.HB2 57.HB3} 2.643 0.041 0.061 {18.HA 57.HA} 5.386 0.103 0.178 {18.CB 57.CB} 33.651 0.928 1.632 215.201 2.802 0 0 2207 {18.HB3} 2.439 0.047 0.060 {18.HA} 5.401 0.104 0.173 {18.CB} 33.751 0.800 1.101 194.613 2.032 0 0 2208 {39.HG2 39.HG3} 2.460 0.038 0.082 {39.HA 39.HA} 5.098 0.128 0.241 {39.CG 39.CG} 33.382 0.872 1.798 248.843 4.929 0 0 2209 {39.HB3} 2.321 0.040 0.055 {39.HA} 5.112 0.083 0.130 {39.CB} 33.539 0.904 1.513 65.763 3.096 0 0 2210 {39.HB2} 2.059 0.051 0.079 {39.HA} 5.116 0.090 0.163 {39.CB} 33.601 1.022 1.862 51.924 5.762 0 0 2211 {40.HB3} 1.937 0.048 0.031 {39.HA} 5.099 0.037 0.022 {40.CB} 33.646 1.184 0.706 39.523 44.431 0 0 2212 {40.HB2} 2.439 0.048 0.031 {40.HA} 4.674 0.037 0.022 {40.CB} 33.525 1.184 0.706 517.977 44.431 0 0 2213 {40.HB3} 1.935 0.049 0.051 {40.HA} 4.670 0.150 0.155 {40.CB} 33.652 0.878 0.917 439.579 58.364 0 0 2214 {88.HG3} 2.896 0.049 0.051 {88.HA} 4.639 0.150 0.155 {88.CG} 33.388 0.878 0.917 125.018 58.364 0 0 2215 {88.HG2} 2.805 0.053 0.051 {88.HA} 4.638 0.089 0.084 {88.CG} 33.342 1.188 1.140 139.323 7.912 0 0 2216 {?} 2.428 0.047 0.057 {?} 4.164 0.088 0.111 {?} 33.423 1.180 1.463 247.601 4.025 0 0 2217 {154.HB} 1.850 0.042 0.037 {154.HA} 4.036 0.093 0.087 {154.CB} 33.507 1.245 1.148 246.793 37.523 0 0 2218 {40.HB2} 2.500 0.024 0.034 {40.HD3} 3.795 0.120 0.041 {40.CB} 33.458 0.903 0.309 109.067 44.060 0 0 2219 {?} 2.440 0.010 0.018 {?} 3.788 0.147 0.109 {?} 33.516 1.079 0.835 877.891 7.631 0 0 2220 {39.HB3} 2.360 0.039 0.052 {40.HD3} 3.794 0.208 0.285 {39.CB} 33.490 1.489 1.967 101.313 14.661 0 0 2221 {39.HB3} 2.312 0.050 0.067 {40.HD3} 3.808 0.107 0.163 {39.CB} 33.626 0.842 1.145 12.704 5.727 0 0 2222 {40.HB3} 1.933 0.052 0.076 {40.HD3} 3.790 0.155 0.237 {40.CB} 33.483 0.990 1.763 343.173 12.120 0 0 2223 {119.HB3} 1.533 0.054 0.085 {119.HA} 3.807 0.127 0.206 {119.CB} 33.445 1.114 1.816 138.236 2.062 0 0 2224 {154.HB} 1.844 0.016 0.022 {149.HA} 3.662 0.172 0.061 {154.CB} 33.478 1.178 0.394 188.842 1.651 0 0 2225 {39.HG3} 2.437 0.075 0.083 {36.HA} 3.371 0.128 0.148 {39.CG} 33.566 1.325 1.560 73.222 2.931 0 0 2226 {?} 1.934 0.046 0.047 {?} 3.371 0.133 0.138 {?} 33.611 1.050 1.101 79.343 19.226 0 0 2227 {39.HB2} 2.038 0.037 0.052 {126.HD2} 3.329 0.033 0.083 {39.CB} 33.643 1.658 1.858 17.014 3.906 0 0 2228 {57.HB3} 2.645 0.037 0.052 {57.HB2} 3.009 0.033 0.083 {57.CB} 33.454 1.658 1.858 175.882 3.906 0 0 2229 {?} 2.892 0.037 0.052 {?} 2.856 0.033 0.083 {?} 33.422 1.658 1.858 1097.269 3.906 0 0 2230 {?} 2.802 0.057 0.083 {?} 2.853 0.130 0.194 {?} 33.427 1.022 1.549 838.667 10.459 0 0 2231 {?} 1.989 0.055 0.082 {?} 2.805 0.123 0.180 {?} 33.801 1.320 1.833 60.154 10.001 0 0 2232 {57.HB2} 2.993 0.016 0.027 {57.HB3} 2.662 0.078 0.155 {57.CB} 33.482 0.997 0.846 70.733 6.832 0 0 2233 {18.HB3 40.HB2 86.HG2} 2.430 0.030 0.024 {18.HB3 40.HB2 86.HG2} 2.452 0.065 0.048 {18.CB 40.CB 86.CG} 33.624 1.479 1.044 3664.919 6.128 0 0 2234 {40.HB3} 1.933 0.048 0.060 {40.HB2} 2.451 0.092 0.113 {40.CB} 33.516 1.344 1.673 765.154 2.145 0 0 2235 {88.HG3} 2.892 0.031 0.022 {88.HB2} 2.272 0.114 0.075 {88.CG} 33.373 1.209 0.794 488.322 15.639 0 0 2236 {88.HG2} 2.802 0.060 0.055 {88.HB2} 2.272 0.110 0.102 {88.CG} 33.357 1.259 1.150 644.303 2.488 0 0 2237 {40.HB2} 2.436 0.054 0.070 {40.HB3} 1.950 0.099 0.125 {40.CB} 33.501 0.966 1.213 376.512 2.881 0 0 2238 {57.HB3} 2.654 0.054 0.070 {49.HB3} 1.649 0.099 0.125 {57.CB} 33.404 0.966 1.213 87.293 2.881 0 0 2239 {57.HB3} 2.619 0.050 0.061 {49.HB3} 1.607 0.091 0.114 {57.CB} 33.376 1.076 1.402 88.105 10.177 0 0 2240 {57.HB2} 2.994 0.050 0.061 {59.HG12} 1.572 0.091 0.114 {57.CB} 33.552 1.076 1.402 91.520 10.177 0 0 2241 {39.HG2 39.HG3 39.HG2 39.HG3} 2.464 0.050 0.061 {38.HB1 38.HB1 38.HB3 38.HB3} 1.518 0.091 0.114 {39.CG 39.CG 39.CG 39.CG} 33.384 1.076 1.402 147.858 10.177 0 0 2242 {57.HB3} 2.632 0.031 0.038 {49.HB2} 1.412 0.039 0.100 {57.CB} 33.667 0.891 1.053 79.777 2.925 0 0 2243 {?} 2.441 0.034 0.014 {?} 1.404 0.094 0.045 {?} 33.688 0.923 0.441 184.155 1.684 0 0 2244 {57.HB2} 2.993 0.060 0.145 {59.HG13} 1.232 0.155 0.244 {57.CB} 33.362 0.995 1.729 148.602 1.700 0 0 2245 {?} 2.633 0.052 0.129 {?} 1.240 0.126 0.240 {?} 33.482 0.829 1.830 379.758 6.264 0 0 2246 {39.HG2} 2.503 0.052 0.129 {21.HD13} 1.121 0.126 0.240 {39.CG} 33.355 0.829 1.830 1042.333 6.264 0 0 2247 {39.HG2} 2.467 0.054 0.221 {21.HD13} 1.118 0.151 0.219 {39.CG} 33.391 0.841 1.904 1096.793 4.752 0 0 2248 {?} 2.804 0.054 0.221 {?} 1.076 0.151 0.219 {?} 33.403 0.841 1.904 86.582 4.752 0 0 2249 {?} 0.936 0.054 0.221 {?} 0.957 0.151 0.219 {?} 33.379 0.841 1.904 263.671 5.176 0 0 2250 {154.HB 154.HB} 1.849 0.029 0.197 {154.HG21 154.HG23} 0.902 0.101 0.208 {154.CB 154.CB} 33.370 0.955 1.364 1903.693 4.250 0 0 2251 {?} 0.884 0.023 0.034 {?} 0.906 0.095 0.150 {?} 33.559 0.883 1.514 94.127 3.000 0 0 2252 {?} 1.465 0.030 0.053 {?} 0.861 0.091 0.162 {?} 33.780 0.634 1.186 76.204 4.006 0 0 2253 {?} 2.895 0.016 0.052 {?} 0.808 0.089 0.128 {?} 33.417 0.825 1.178 58.477 3.012 0 0 2254 {?} 2.799 0.016 0.025 {?} 0.801 0.089 0.167 {?} 33.441 0.810 1.672 76.565 5.943 0 0 2255 {?} 2.639 0.043 0.056 {?} 0.806 0.055 0.070 {?} 33.629 1.124 1.707 144.104 13.733 0 0 2256 {?} 2.461 0.063 0.111 {?} 0.808 0.112 0.160 {?} 33.524 0.920 2.113 211.579 10.203 0 0 2257 {119.HB3 119.HB3 119.HB3} 1.535 0.028 0.059 {167.HG21 167.HG22 167.HG23} 0.811 0.084 0.199 {119.CB 119.CB 119.CB} 33.417 1.104 1.203 148.365 12.859 0 0 2258 {?} 0.717 0.028 0.059 {?} 0.728 0.084 0.199 {?} 33.618 1.104 1.203 27.417 16.254 0 0 2259 {?} 0.886 0.047 0.067 {?} 0.644 0.126 0.181 {?} 33.841 1.110 1.915 203.393 3.115 0 0 2260 {?} 1.851 0.032 0.025 {?} 0.596 0.145 0.108 {?} 33.430 0.740 0.577 545.868 36.690 0 0 2261 {?} 0.555 0.042 0.031 {?} 0.588 0.099 0.197 {?} 33.544 1.947 1.736 58.840 5.048 0 0 2262 {?} 2.997 0.058 0.082 {?} 0.424 0.095 0.274 {?} 33.508 0.800 2.250 89.493 10.696 0 0 2263 {154.HB 154.HB 154.HB} 1.850 0.058 0.082 {105.HD11 105.HD12 105.HD13} 0.282 0.095 0.274 {154.CB 154.CB 154.CB} 33.381 0.800 2.250 133.516 10.696 0 0 2264 {18.HB2 18.HB2 18.HB2} 2.630 0.056 0.157 {16.HG21 16.HG22 16.HG23} 0.252 0.147 0.284 {18.CB 18.CB 18.CB} 33.766 0.785 2.021 25.633 3.019 0 0 2265 {18.HB3 18.HB3 18.HB3} 2.456 0.058 0.157 {16.HG21 16.HG22 16.HG23} 0.238 0.139 0.264 {18.CB 18.CB 18.CB} 33.700 1.271 1.815 113.111 10.493 0 0 2266 {?} 1.708 0.058 0.157 {?} 10.401 0.139 0.264 {?} 33.041 1.271 1.815 102.542 10.493 0 0 2267 {?} 1.981 0.050 0.062 {?} 10.375 0.091 0.129 {?} 33.041 1.002 1.519 60.227 2.301 0 0 2268 {?} 1.744 0.041 0.078 {?} 9.989 0.154 0.192 {?} 32.962 1.182 1.569 39.979 8.424 0 0 2269 {?} 1.537 0.052 0.083 {?} 9.639 0.080 0.274 {?} 33.308 0.895 1.239 47.748 2.019 0 0 2270 {?} 1.820 0.043 0.060 {?} 9.526 0.034 0.105 {?} 33.236 1.006 1.772 52.077 4.405 0 0 2271 {?} 1.279 0.047 0.067 {?} 9.536 0.128 0.199 {?} 33.257 1.031 1.999 53.798 4.398 0 0 2272 {?} 1.979 0.047 0.067 {?} 8.959 0.128 0.199 {?} 33.129 1.031 1.999 405.917 4.398 0 0 2273 {?} 1.536 0.069 0.157 {?} 8.401 0.144 0.248 {?} 33.290 1.197 2.051 108.846 6.061 0 0 2274 {55.HG3} 1.825 0.064 0.172 {55.H} 8.285 0.139 0.297 {55.CG} 33.172 0.891 2.211 609.572 2.528 0 0 2275 {55.HG2} 1.292 0.061 0.083 {55.H} 8.275 0.124 0.177 {55.CG} 33.146 1.109 1.584 347.712 2.895 0 0 2276 {?} 2.613 0.106 0.232 {?} 7.996 0.126 0.181 {?} 33.221 1.337 2.142 310.449 6.446 0 0 2277 {?} 2.562 0.106 0.232 {?} 7.995 0.126 0.181 {?} 33.200 1.337 2.142 71.986 3.170 0 0 2278 {?} 2.803 0.075 0.097 {?} 7.882 0.114 0.170 {?} 33.263 1.151 1.675 35.923 8.185 0 0 2279 {?} 2.279 0.053 0.076 {?} 7.902 0.138 0.177 {?} 33.048 1.120 1.530 86.210 27.378 0 0 2280 {?} 2.616 0.047 0.067 {?} 7.686 0.087 0.068 {?} 33.112 1.119 0.874 100.822 3.222 0 0 2281 {164.HG2} 2.559 0.046 0.066 {163.H} 7.679 0.108 0.105 {164.CG} 33.243 1.076 1.054 32.255 8.252 0 0 2282 {?} 2.171 0.056 0.080 {?} 7.653 0.115 0.174 {?} 32.977 0.974 1.427 45.953 3.435 0 0 2283 {75.HB} 2.108 0.056 0.080 {77.H} 7.424 0.115 0.174 {75.CB} 32.917 0.974 1.427 106.602 17.769 0 0 2284 {?} 2.905 0.051 0.079 {?} 7.237 0.107 0.166 {?} 33.258 1.161 1.527 100.592 2.873 0 0 2285 {?} 2.809 0.016 0.033 {?} 7.240 0.129 0.136 {?} 33.296 0.890 0.934 82.903 10.019 0 0 2286 {?} 2.268 0.016 0.033 {?} 7.236 0.129 0.136 {?} 33.020 0.890 0.934 118.547 10.019 0 0 2287 {?} 2.286 0.016 0.033 {?} 7.208 0.129 0.136 {?} 32.927 0.890 0.934 163.932 10.019 0 0 2288 {?} 2.702 0.014 0.023 {?} 7.013 0.131 0.083 {?} 32.909 0.838 0.545 4.328 8.370 0 0 2289 {?} 1.831 0.014 0.023 {?} 7.032 0.131 0.083 {?} 33.182 0.838 0.545 16.216 8.370 0 0 2290 {?} 1.291 0.014 0.023 {?} 7.024 0.131 0.083 {?} 33.065 0.838 0.545 178.898 8.370 0 0 2291 {?} 2.278 0.014 0.023 {?} 7.001 0.131 0.083 {?} 33.005 0.838 0.545 233.049 8.370 0 0 2292 {57.HB2} 3.001 0.014 0.023 {57.HA} 5.385 0.131 0.083 {57.CB} 33.294 0.838 0.545 50.139 8.370 0 0 2293 {39.HG2 39.HG3} 2.496 0.014 0.023 {39.HA 39.HA} 5.108 0.131 0.083 {39.CG 39.CG} 33.300 0.838 0.545 185.971 8.370 0 0 2294 {85.HB2} 2.689 0.043 0.044 {85.HA} 4.837 0.090 0.094 {85.CB} 32.898 0.931 0.975 133.856 8.888 0 0 2295 {88.HB2} 2.279 0.049 0.027 {85.HA} 4.845 0.074 0.039 {88.CB} 32.920 1.616 0.975 49.490 11.279 0 0 2296 {88.HB2} 2.304 0.049 0.027 {88.HA} 4.661 0.074 0.039 {88.CB} 32.992 1.616 0.975 440.886 11.279 0 0 2297 {88.HB2} 2.269 0.049 0.027 {88.HA} 4.638 0.074 0.039 {88.CB} 33.036 1.616 0.975 384.525 11.279 0 0 2298 {1.HB2} 1.980 0.037 0.041 {1.HA} 4.398 0.138 0.151 {1.CB} 33.186 0.709 0.789 330.735 4.077 0 0 2299 {?} 0.965 0.037 0.041 {?} 4.404 0.138 0.151 {?} 32.793 0.709 0.789 0.185 4.077 0 0 2300 {55.HG3 154.HB} 1.827 0.037 0.041 {55.HA 156.HD3} 4.243 0.138 0.151 {55.CG 154.CB} 33.157 0.709 0.789 115.273 4.077 0 0 2301 {55.HG2} 1.300 0.050 0.044 {55.HA} 4.258 0.106 0.098 {55.CG} 33.075 0.792 0.726 53.755 2.324 0 0 2302 {?} 2.212 0.050 0.044 {?} 4.176 0.106 0.098 {?} 32.788 0.792 0.726 316.575 2.324 0 0 2303 {?} 2.609 0.050 0.044 {?} 4.144 0.106 0.098 {?} 33.087 0.792 0.726 109.537 2.324 0 0 2304 {86.HG3} 2.526 0.044 0.062 {86.HA} 4.143 0.079 0.115 {86.CG} 33.269 1.043 1.630 315.897 4.584 0 0 2305 {?} 2.690 0.043 0.071 {?} 4.024 0.093 0.191 {?} 32.870 1.169 1.805 40.382 4.158 0 0 2306 {?} 2.283 0.050 0.058 {?} 4.041 0.076 0.087 {?} 32.997 0.887 1.012 142.786 3.076 0 0 2307 {?} 2.613 0.043 0.068 {?} 3.912 0.117 0.179 {?} 33.231 1.222 1.907 235.527 3.369 0 0 2308 {164.HG2} 2.561 0.046 0.074 {164.HA} 3.912 0.101 0.175 {164.CG} 33.248 1.088 1.842 394.046 2.461 0 0 2309 {?} 0.945 0.018 0.026 {?} 3.872 0.129 0.047 {?} 32.948 0.942 0.314 15.172 7.840 0 0 2310 {?} 2.681 0.018 0.026 {?} 3.561 0.129 0.047 {?} 32.931 0.942 0.314 35.301 7.840 0 0 2311 {?} 2.294 0.037 0.052 {?} 3.574 0.086 0.098 {?} 33.037 0.990 1.128 102.132 4.513 0 0 2312 {?} 2.271 0.052 0.109 {?} 3.577 0.111 0.228 {?} 32.811 0.946 1.947 106.323 2.262 0 0 2313 {53.HB3} 2.050 0.052 0.116 {51.HB2} 3.043 0.101 0.219 {53.CB} 32.814 1.097 1.987 306.729 4.100 0 0 2314 {154.HB} 1.817 0.040 0.086 {115.HB2} 3.044 0.090 0.235 {154.CB} 32.992 0.955 1.996 184.325 5.273 0 0 2315 {57.HB2} 2.997 0.042 0.083 {57.HB2} 3.002 0.083 0.184 {57.CB} 32.984 0.970 2.121 124.740 4.824 0 0 2316 {88.HB2} 2.278 0.044 0.078 {88.HB3} 2.715 0.136 0.204 {88.CB} 32.905 1.225 1.834 1423.357 2.351 0 0 2317 {?} 1.824 0.058 0.094 {?} 2.704 0.137 0.199 {?} 33.201 0.968 1.652 253.789 3.025 0 0 2318 {?} 2.614 0.065 0.069 {?} 2.605 0.097 0.104 {?} 33.145 1.206 1.286 6778.438 2.010 0 0 2319 {55.HG3} 1.823 0.040 0.045 {55.HB2} 2.467 0.098 0.114 {55.CG} 33.146 1.069 1.280 509.579 3.261 0 0 2320 {?} 2.615 0.044 0.073 {?} 2.376 0.080 0.153 {?} 33.220 1.207 1.967 817.250 2.419 0 0 2321 {88.HB3} 2.683 0.044 0.076 {88.HB2} 2.260 0.081 0.140 {88.CB} 32.838 1.139 2.022 252.298 2.363 0 0 2322 {88.HB2} 2.267 0.044 0.076 {88.HB2} 2.267 0.081 0.140 {88.CB} 32.787 1.139 2.022 3266.361 2.363 0 0 2323 {?} 2.615 0.044 0.076 {?} 2.084 0.081 0.140 {?} 33.206 1.139 2.022 192.197 2.363 0 0 2324 {39.HG2 164.HG2} 2.560 0.052 0.111 {39.HB2 164.HE3} 2.079 0.128 0.202 {39.CG 164.CG} 33.223 0.908 1.619 1683.197 2.294 0 0 2325 {55.HG2} 1.295 0.053 0.080 {55.HB3} 2.085 0.096 0.178 {55.CG} 33.211 1.263 1.863 178.416 3.004 0 0 2326 {1.HB2 26.HB 112.HB2} 1.981 0.045 0.099 {1.HB2 26.HB 112.HB2} 2.000 0.089 0.206 {1.CB 26.CB 112.CB} 33.112 1.020 1.918 15545.517 2.431 0 0 2327 {?} 2.617 0.049 0.118 {?} 1.917 0.128 0.265 {?} 33.196 1.031 2.060 590.500 2.761 0 0 2328 {164.HG2} 2.555 0.050 0.078 {164.HB3} 1.916 0.161 0.222 {164.CG} 33.221 0.868 1.625 908.777 2.788 0 0 2329 {?} 0.848 0.076 0.105 {?} 1.872 0.075 0.358 {?} 33.294 0.883 1.568 33.148 1.896 0 0 2330 {55.HG3 154.HB} 1.799 0.070 0.093 {55.HG3 154.HB} 1.832 0.157 0.289 {55.CG 154.CB} 32.848 1.178 1.979 3782.067 2.911 0 0 2331 {55.HG2} 1.295 0.045 0.087 {55.HG3} 1.839 0.114 0.219 {55.CG} 33.170 0.812 1.416 247.504 3.275 0 0 2332 {?} 2.549 0.051 0.078 {?} 1.598 0.101 0.202 {?} 33.218 0.740 1.144 93.587 3.290 0 0 2333 {?} 2.304 0.032 0.034 {?} 1.601 0.129 0.132 {?} 32.852 1.171 1.205 166.102 1.926 0 0 2334 {?} 2.276 0.044 0.049 {?} 1.607 0.135 0.150 {?} 32.978 1.245 1.355 141.292 2.083 0 0 2335 {39.HG2 39.HG3 39.HG2 39.HG3} 2.503 0.043 0.171 {38.HB1 38.HB1 38.HB3 38.HB3} 1.528 0.097 0.139 {39.CG 39.CG 39.CG 39.CG} 33.282 0.733 2.305 388.992 2.459 0 0 2336 {119.HB2 119.HB2} 2.055 0.018 0.023 {119.HB3 119.HG2} 1.504 0.116 0.162 {119.CB 119.CB} 33.055 0.254 0.359 1165.921 13.921 0 0 2337 {?} 1.862 0.018 0.023 {?} 1.499 0.116 0.162 {?} 33.164 0.254 0.359 399.873 13.921 0 0 2338 {55.HG3} 1.823 0.056 0.122 {55.HG2} 1.301 0.087 0.189 {55.CG} 33.176 0.312 1.252 679.397 12.327 0 0 2339 {?} 2.895 0.056 0.122 {?} 1.077 0.087 0.189 {?} 33.303 0.312 1.252 75.486 12.327 0 0 2340 {?} 2.615 0.046 0.059 {?} 0.956 0.116 0.162 {?} 33.281 0.376 0.530 399.335 20.564 0 0 2341 {?} 2.554 0.037 0.052 {?} 0.953 0.080 0.118 {?} 33.234 0.865 1.247 552.699 2.208 0 0 2342 {26.HB 26.HB} 2.026 0.051 0.085 {26.HG21 26.HG23} 0.967 0.083 0.127 {26.CB 26.CB} 33.206 1.056 1.546 4474.547 18.584 0 0 2343 {?} 0.970 0.079 0.112 {?} 0.976 0.117 0.213 {?} 33.327 0.965 3.019 1045.447 2.616 0 0 2344 {?} 0.631 0.047 0.067 {?} 0.947 0.194 0.277 {?} 32.965 1.079 1.541 47.233 2.315 0 0 2345 {57.HB2 57.HB2} 2.985 0.037 0.052 {59.HD11 59.HD12} 0.802 0.160 0.228 {57.CB 57.CB} 33.316 1.263 2.164 240.109 2.417 0 0 2346 {57.HB2 57.HB2 57.HB2} 2.989 0.037 0.052 {49.HD11 49.HD12 49.HD13} 0.647 0.160 0.228 {57.CB 57.CB 57.CB} 33.250 1.263 2.164 216.947 2.707 0 0 2347 {75.HB 75.HB 75.HB} 2.114 0.060 0.172 {75.HG11 75.HG12 75.HG13} 0.634 0.117 0.167 {75.CB 75.CB 75.CB} 32.885 1.766 2.523 754.790 2.745 0 0 2348 {75.HB} 2.110 0.060 0.172 {159.HG11} -0.406 0.117 0.167 {75.CB} 32.978 1.766 2.523 162.535 3.516 0 0 2349 {?} 0.605 0.060 0.172 {?} -0.512 0.117 0.167 {?} 32.996 1.766 2.523 52.067 2.474 0 0 2350 {?} 1.255 0.055 0.097 {?} -0.575 0.126 0.181 {?} 32.951 0.812 1.479 75.300 3.332 0 0 2351 {?} 2.089 0.061 0.113 {?} 9.945 0.126 0.181 {?} 32.430 0.803 1.522 54.597 190.965 0 0 2352 {?} 1.985 0.061 0.113 {?} 9.941 0.126 0.181 {?} 32.481 0.803 1.522 32.508 190.965 0 0 2353 {?} 3.130 0.061 0.113 {?} 9.220 0.126 0.181 {?} 32.484 0.803 1.522 92.316 190.965 0 0 2354 {?} 2.982 0.061 0.113 {?} 9.216 0.126 0.181 {?} 32.457 0.803 1.522 150.397 190.965 0 0 2355 {?} 1.668 0.044 0.073 {?} 9.154 0.090 0.119 {?} 32.563 1.188 1.588 117.670 4.079 0 0 2356 {?} 1.663 0.057 0.153 {?} 8.952 0.200 0.286 {?} 32.612 0.956 1.366 52.779 2.452 0 0 2357 {156.HB3} 1.799 0.050 0.127 {115.H} 8.831 0.172 0.285 {156.CB} 32.446 0.813 2.135 34.886 5.577 0 0 2358 {?} 0.949 0.036 0.061 {?} 8.759 0.155 0.240 {?} 32.306 0.872 1.554 33.787 9.409 0 0 2359 {156.HB2} 2.216 0.054 0.063 {117.H} 8.749 0.154 0.189 {156.CB} 32.678 0.893 1.091 118.960 6.144 0 0 2360 {?} 1.769 0.062 0.112 {?} 8.448 0.080 0.272 {?} 32.492 0.905 1.495 96.998 2.511 0 0 2361 {?} 3.124 0.064 0.093 {?} 8.278 0.051 0.163 {?} 32.361 1.339 1.694 76.893 2.330 0 0 2362 {?} 2.982 0.040 0.044 {?} 8.281 0.125 0.146 {?} 32.511 0.384 0.968 73.205 3.312 0 0 2363 {53.HB2} 2.156 0.075 0.125 {55.H} 8.291 0.108 0.326 {53.CB} 32.489 1.140 1.764 529.903 7.528 0 0 2364 {53.HB3} 2.041 0.056 0.095 {55.H} 8.296 0.191 0.294 {53.CB} 32.570 1.407 2.049 108.914 12.123 0 0 2365 {?} 2.217 0.013 0.032 {?} 8.007 0.108 0.126 {?} 32.677 0.740 0.854 5.380 8.715 0 0 2366 {?} 2.092 0.013 0.032 {?} 7.755 0.108 0.126 {?} 32.450 0.740 0.854 187.700 8.715 0 0 2367 {?} 1.652 0.013 0.036 {?} 7.518 0.107 0.140 {?} 32.537 0.272 0.734 453.679 20.872 0 0 2368 {?} 1.665 0.013 0.036 {?} 7.336 0.107 0.140 {?} 32.467 0.272 0.734 461.004 20.872 0 0 2369 {?} 1.773 0.013 0.036 {?} 7.177 0.107 0.140 {?} 32.507 0.272 0.734 398.797 20.872 0 0 2370 {?} 2.127 0.026 0.007 {?} 7.135 0.128 0.032 {?} 32.539 0.874 0.224 98.125 3.483 0 0 2371 {167.HB} 2.211 0.029 0.019 {158.HA} 5.178 0.156 0.081 {167.CB} 32.669 1.138 0.707 6.443 2.329 0 0 2372 {?} 2.138 0.029 0.019 {?} 5.156 0.156 0.081 {?} 32.550 1.138 0.707 4.629 2.329 0 0 2373 {?} 2.161 0.029 0.019 {?} 5.010 0.156 0.081 {?} 32.556 1.138 0.707 299.630 2.329 0 0 2374 {156.HB3} 1.764 0.056 0.040 {155.HA} 4.995 0.167 0.125 {156.CB} 32.381 0.820 0.571 1.930 2.067 0 0 2375 {43.HB3} 2.985 0.049 0.056 {43.HA} 4.713 0.137 0.161 {43.CB} 32.454 1.230 1.414 13.890 7.237 0 0 2376 {?} 2.175 0.074 0.043 {?} 4.757 0.171 0.133 {?} 32.541 0.948 0.705 323.664 4.937 0 0 2377 {28.HB3 156.HB3} 1.778 0.063 0.060 {28.HA 156.HA} 4.718 0.130 0.119 {28.CB 156.CB} 32.526 1.037 0.961 29.914 2.938 0 0 2378 {53.HB2} 2.163 0.045 0.051 {53.HA} 4.508 0.155 0.170 {53.CB} 32.573 1.081 1.206 270.170 3.054 0 0 2379 {53.HB3} 2.052 0.045 0.051 {53.HA} 4.512 0.155 0.170 {53.CB} 32.610 1.081 1.206 184.808 3.054 0 0 2380 {2.HB2 2.HB3} 1.671 0.052 0.061 {2.HA 2.HA} 4.489 0.090 0.105 {2.CB 2.CB} 32.511 1.031 1.202 288.334 1.639 0 0 2381 {?} 2.292 0.028 0.058 {?} 4.399 0.130 0.130 {?} 32.616 0.917 0.913 210.237 8.064 0 0 2382 {167.HB} 2.217 0.014 0.018 {167.HA} 4.408 0.175 0.074 {167.CB} 32.712 0.856 0.297 793.594 5.437 0 0 2383 {?} 0.828 0.015 0.019 {?} 4.406 0.203 0.065 {?} 32.706 1.261 0.484 27.847 2.326 0 0 2384 {112.HB3 156.HB3} 1.721 0.034 0.021 {112.HA 156.HD3} 4.188 0.115 0.069 {112.CB 156.CB} 32.705 0.765 0.458 359.709 2.948 0 0 2385 {112.HB3} 1.657 0.069 0.054 {112.HA} 4.188 0.095 0.075 {112.CB} 32.607 1.705 1.158 5.674 3.266 0 0 2386 {156.HB3} 1.773 0.029 0.021 {156.HD2} 3.972 0.093 0.160 {156.CB} 32.490 1.075 0.669 220.131 1.996 0 0 2387 {167.HB} 2.197 0.018 0.025 {119.HA} 3.851 0.099 0.158 {167.CB} 32.426 1.025 0.672 2.178 8.614 0 0 2388 {167.HB} 2.216 0.021 0.023 {119.HA} 3.802 0.084 0.037 {167.CB} 32.546 1.564 0.700 99.442 7.835 0 0 2389 {28.HB2} 2.184 0.032 0.028 {27.HB2} 3.312 0.074 0.068 {28.CB} 32.658 0.847 0.342 44.835 2.109 0 0 2390 {?} 1.793 0.021 0.022 {?} 3.308 0.084 0.088 {?} 32.619 0.830 0.307 367.546 3.862 0 0 2391 {28.HB3 28.HB3} 1.730 0.006 0.008 {28.HD2 28.HD3} 3.291 0.104 0.062 {28.CB 28.CB} 32.627 1.073 0.642 242.373 2.635 0 0 2392 {112.HB2} 1.979 0.026 0.037 {112.HD2} 3.189 0.179 0.068 {112.CB} 32.557 1.083 0.287 312.448 2.196 0 0 2393 {70.HB2} 2.126 0.016 0.022 {70.HE2} 3.079 0.110 0.112 {70.CB} 32.388 1.292 1.317 144.846 4.838 0 0 2394 {?} 2.156 0.034 0.048 {?} 3.053 0.134 0.170 {?} 32.545 1.277 1.507 138.287 2.606 0 0 2395 {156.HB3} 1.761 0.053 0.056 {115.HB2} 3.031 0.148 0.154 {156.CB} 32.499 1.065 1.123 29.828 4.395 0 0 2396 {2.HB3} 1.693 0.040 0.021 {6.HB3} 2.973 0.188 0.077 {2.CB} 32.511 0.954 0.732 275.775 1.862 0 0 2397 {2.HB3} 1.669 0.037 0.052 {6.HB3} 2.961 0.116 0.167 {2.CB} 32.554 0.786 1.010 290.036 2.626 0 0 2398 {2.HB3} 1.692 0.037 0.052 {6.HB2} 2.583 0.116 0.167 {2.CB} 32.616 0.786 1.010 296.439 4.535 0 0 2399 {2.HB3} 1.664 0.055 0.059 {6.HB2} 2.610 0.060 0.163 {2.CB} 32.576 1.101 1.239 162.912 6.164 0 0 2400 {?} 1.722 0.048 0.049 {?} 2.527 0.135 0.139 {?} 32.375 0.973 1.008 4.831 2.036 0 0 2401 {167.HB} 2.218 0.057 0.119 {167.HB} 2.218 0.164 0.264 {167.CB} 32.708 1.802 2.574 7279.331 2.888 0 0 2402 {156.HB3 156.HB3} 1.784 0.010 0.012 {156.HB2 156.HG2} 2.192 0.089 0.032 {156.CB 156.CB} 32.547 0.877 0.312 543.299 8.586 0 0 2403 {?} 0.966 0.052 0.081 {?} 2.220 0.138 0.214 {?} 32.673 1.041 1.898 98.707 14.564 0 0 2404 {?} 0.829 0.072 0.097 {?} 2.224 0.114 0.175 {?} 32.696 1.134 1.804 59.037 1.816 0 0 2405 {28.HB2 53.HB2 70.HB2 75.HB 113.HB 156.HB2} 2.126 0.072 0.097 {28.HB2 53.HB2 70.HB2 75.HB 113.HB 156.HB2} 2.143 0.114 0.175 {28.CB 53.CB 70.CB 75.CB 113.CB 156.CB} 32.366 1.134 1.804 304.708 15.583 0 0 2406 {26.HB 53.HB3} 2.022 0.072 0.097 {26.HB 53.HB3} 2.043 0.114 0.175 {26.CB 53.CB} 32.741 1.134 1.804 208.322 15.583 0 0 2407 {?} 0.950 0.049 0.064 {?} 2.044 0.109 0.145 {?} 32.426 1.029 1.391 15.713 5.983 0 0 2408 {28.HB2 156.HB2} 2.179 0.049 0.064 {28.HB3 156.HB3} 1.784 0.109 0.145 {28.CB 156.CB} 32.596 1.029 1.391 699.556 4.306 0 0 2409 {113.HB} 2.054 0.049 0.064 {58.HG} 1.780 0.109 0.145 {113.CB} 32.598 1.029 1.391 9.416 4.306 0 0 2410 {?} 3.136 0.049 0.064 {?} 1.493 0.109 0.145 {?} 32.497 1.029 1.391 70.231 1.904 0 0 2411 {?} 2.161 0.067 0.126 {?} 1.488 0.147 0.252 {?} 32.583 1.273 2.104 3151.623 2.674 0 0 2412 {2.HB2 2.HB3 2.HB3} 1.663 0.030 0.040 {2.HG2 2.HG2 2.HD3} 1.470 0.117 0.135 {2.CB 2.CB 2.CB} 32.555 0.330 0.854 1177.124 2.527 0 0 2413 {?} 1.365 0.055 0.045 {?} 1.382 0.097 0.083 {?} 32.604 0.665 0.567 307.709 13.957 0 0 2414 {?} 1.080 0.055 0.045 {?} 1.082 0.097 0.083 {?} 32.250 0.665 0.567 240.452 13.957 0 0 2415 {?} 2.216 0.055 0.045 {?} 0.983 0.097 0.083 {?} 32.709 0.665 0.567 2102.099 7.954 0 0 2416 {?} 1.773 0.055 0.045 {?} 0.919 0.097 0.083 {?} 32.610 0.665 0.567 874.679 11.636 0 0 2417 {?} 2.092 0.071 0.074 {?} 0.869 0.087 0.091 {?} 32.465 0.716 0.751 1639.546 11.514 0 0 2418 {?} 1.580 0.071 0.074 {?} 0.848 0.087 0.091 {?} 32.404 0.716 0.751 611.104 7.025 0 0 2419 {?} 0.841 0.071 0.074 {?} 0.859 0.087 0.091 {?} 32.471 0.716 0.751 605.676 7.025 0 0 2420 {2.HB2 2.HB2} 1.674 0.071 0.074 {106.HG21 106.HG23} 0.750 0.087 0.091 {2.CB 2.CB} 32.650 0.716 0.751 628.319 4.304 0 0 2421 {?} 0.681 0.070 0.089 {?} 0.689 0.121 0.191 {?} 32.409 0.806 1.169 110.642 5.495 0 0 2422 {?} 2.027 0.057 0.109 {?} 0.621 0.126 0.191 {?} 32.373 0.931 1.574 731.568 5.096 0 0 2423 {?} 0.945 0.027 0.007 {?} 0.645 0.144 0.030 {?} 32.759 0.970 0.188 142.489 82.186 0 0 2424 {?} 0.628 0.015 0.024 {?} 0.643 0.157 0.097 {?} 32.680 1.561 1.096 122.207 2.588 0 0 2425 {2.HB2 2.HB2} 1.745 0.060 0.070 {132.HD21 132.HD23} 0.565 0.121 0.156 {2.CB 2.CB} 32.609 1.174 1.450 72.772 11.983 0 0 2426 {2.HB2 2.HB2} 1.670 0.077 0.121 {132.HD21 132.HD23} 0.580 0.085 0.126 {2.CB 2.CB} 32.583 0.867 1.336 208.275 144.528 0 0 2427 {?} 1.666 0.037 0.052 {?} 0.346 0.076 0.087 {?} 32.593 0.793 0.910 160.992 417.114 0 0 2428 {?} 2.511 0.037 0.052 {?} 8.967 0.076 0.087 {?} 32.002 0.793 0.910 59.216 417.114 0 0 2429 {?} 2.424 0.037 0.052 {?} 8.946 0.076 0.087 {?} 32.024 0.793 0.910 37.758 417.114 0 0 2430 {?} 2.023 0.037 0.052 {?} 8.767 0.076 0.087 {?} 32.168 0.793 0.910 224.828 417.114 0 0 2431 {?} 1.905 0.026 0.037 {?} 8.774 0.081 0.099 {?} 31.898 0.808 0.992 84.041 270.451 0 0 2432 {?} 1.973 0.026 0.037 {?} 8.299 0.081 0.099 {?} 32.193 0.808 0.992 50.200 270.451 0 0 2433 {?} 1.972 0.020 0.068 {?} 7.981 0.103 0.168 {?} 31.832 1.108 1.658 289.578 28.624 0 0 2434 {?} 1.727 0.020 0.068 {?} 7.982 0.103 0.168 {?} 31.868 1.108 1.658 6.738 4.696 0 0 2435 {?} 1.584 0.061 0.089 {?} 7.513 0.068 0.205 {?} 32.153 1.095 1.610 354.872 52.321 0 0 2436 {?} 1.506 0.061 0.089 {?} 7.516 0.068 0.205 {?} 32.097 1.095 1.610 262.437 2.105 0 0 2437 {70.HB3} 1.972 0.025 0.036 {72.H} 7.395 0.159 0.181 {70.CB} 31.947 0.884 1.059 104.204 2.216 0 0 2438 {?} 1.895 0.025 0.036 {?} 7.413 0.159 0.181 {?} 31.879 0.884 1.059 132.219 71.481 0 0 2439 {?} 1.729 0.025 0.036 {?} 7.390 0.159 0.181 {?} 31.926 0.884 1.059 42.263 71.481 0 0 2440 {16.HB} 1.915 0.025 0.036 {11.HD1} 6.591 0.159 0.181 {16.CB} 31.922 0.884 1.059 120.723 71.481 0 0 2441 {?} 1.971 0.026 0.037 {?} 4.844 0.217 0.243 {?} 31.981 1.188 1.451 64.668 11.349 0 0 2442 {16.HB} 1.903 0.026 0.037 {11.HA} 4.498 0.217 0.243 {16.CB} 31.873 1.188 1.451 309.785 4.356 0 0 2443 {16.HB} 1.857 0.026 0.037 {11.HA} 4.499 0.120 0.180 {16.CB} 32.008 0.867 1.454 283.413 2.222 0 0 2444 {25.HB2} 1.732 0.037 0.052 {25.HA} 4.456 0.120 0.183 {25.CB} 31.958 0.768 1.176 313.793 2.373 0 0 2445 {1.HG2} 2.511 0.023 0.021 {1.HA} 4.398 0.187 0.165 {1.CG} 32.049 0.734 1.426 128.657 18.653 0 0 2446 {1.HG2} 2.424 0.032 0.157 {1.HA} 4.397 0.080 0.199 {1.CG} 32.049 0.828 1.183 62.907 4.568 0 0 2447 {70.HB2} 2.126 0.061 0.073 {70.HA} 4.251 0.112 0.158 {70.CB} 32.146 1.346 1.735 585.698 6.418 0 0 2448 {70.HB3} 1.972 0.054 0.072 {70.HA} 4.243 0.151 0.210 {70.CB} 32.186 1.100 1.603 677.289 5.767 0 0 2449 {36.HB3} 1.588 0.068 0.134 {33.HA} 4.014 0.192 0.274 {36.CB} 32.154 1.162 1.846 250.752 2.664 0 0 2450 {36.HB2} 1.513 0.068 0.134 {33.HA} 4.020 0.192 0.274 {36.CB} 32.104 1.162 1.846 257.291 1.540 0 0 2451 {?} 1.977 0.064 0.099 {?} 3.901 0.166 0.240 {?} 32.061 1.216 1.765 202.325 4.072 0 0 2452 {25.HB2} 1.732 0.073 0.090 {25.HD3} 3.910 0.102 0.164 {25.CB} 31.937 1.021 1.410 173.600 12.665 0 0 2453 {29.HB 113.HB} 2.119 0.071 0.170 {29.HA 113.HA} 3.858 0.236 0.337 {29.CB 113.CB} 32.165 1.089 2.029 126.513 2.513 0 0 2454 {?} 1.079 0.071 0.170 {?} 3.865 0.236 0.337 {?} 31.969 1.089 2.029 38.642 1.782 0 0 2455 {?} 1.005 0.071 0.170 {?} 3.856 0.236 0.337 {?} 32.044 1.089 2.029 40.849 1.633 0 0 2456 {97.HB2} 1.972 0.020 0.016 {97.HD2} 3.727 0.203 0.184 {97.CB} 31.783 1.290 1.148 91.606 11.484 0 0 2457 {25.HB2} 1.728 0.059 0.084 {25.HD2} 3.757 0.114 0.169 {25.CB} 31.852 1.010 1.323 143.869 1.569 0 0 2458 {36.HB3} 1.580 0.030 0.018 {36.HA} 3.400 0.098 0.044 {36.CB} 32.159 0.918 0.416 137.383 1.897 0 0 2459 {36.HB2} 1.506 0.028 0.020 {36.HA} 3.402 0.087 0.047 {36.CB} 32.132 1.091 0.589 75.330 4.978 0 0 2460 {36.HB3 36.HB3} 1.595 0.026 0.024 {36.HE2 36.HE3} 2.865 0.122 0.109 {36.CB 36.CB} 32.036 1.126 1.002 132.971 2.013 0 0 2461 {36.HB2 36.HB2} 1.505 0.063 0.086 {36.HE2 36.HE3} 2.861 0.134 0.184 {36.CB 36.CB} 32.005 1.129 1.600 48.562 2.708 0 0 2462 {1.HG2 97.HB3} 2.510 0.046 0.088 {1.HG2 97.HB3} 2.479 0.119 0.198 {1.CG 97.CB} 32.067 1.241 1.858 9072.409 2.361 0 0 2463 {1.HG2 97.HB3} 2.424 0.055 0.080 {1.HG2 97.HB3} 2.481 0.131 0.190 {1.CG 97.CB} 32.034 1.052 1.542 538.439 7.589 0 0 2464 {16.HB 97.HB2} 1.973 0.058 0.100 {18.HB3 97.HB3} 2.464 0.147 0.224 {16.CB 97.CB} 31.864 1.103 1.783 231.255 6.934 0 0 2465 {?} 2.370 0.064 0.075 {?} 2.380 0.089 0.111 {?} 32.145 1.024 1.288 545.664 6.982 0 0 2466 {?} 2.306 0.078 0.114 {?} 2.319 0.102 0.173 {?} 31.911 1.096 1.846 2821.746 8.322 0 0 2467 {?} 1.072 0.057 0.111 {?} 2.316 0.144 0.190 {?} 31.884 0.983 1.523 42.363 5.244 0 0 2468 {?} 1.019 0.021 0.041 {?} 2.317 0.094 0.155 {?} 31.965 0.248 0.402 13.421 1.763 0 0 2469 {25.HB2 156.HB3} 1.730 0.047 0.067 {25.HG3 156.HG2} 2.211 0.112 0.180 {25.CB 156.CB} 32.064 0.983 1.763 572.075 5.238 0 0 2470 {?} 1.081 0.045 0.053 {?} 2.134 0.126 0.176 {?} 32.001 0.965 1.267 54.035 1.525 0 0 2471 {?} 1.005 0.037 0.052 {?} 2.133 0.075 0.131 {?} 31.982 0.758 2.383 177.044 3.200 0 0 2472 {1.HG2 97.HB3} 2.509 0.049 0.041 {1.HB2 97.HB2} 2.007 0.089 0.070 {1.CG 97.CB} 32.057 1.081 0.862 2638.523 1.564 0 0 2473 {?} 2.369 0.030 0.027 {?} 2.012 0.153 0.122 {?} 31.907 0.937 0.763 374.702 3.970 0 0 2474 {?} 1.730 0.030 0.027 {?} 1.969 0.153 0.122 {?} 31.986 0.937 0.763 1782.459 3.970 0 0 2475 {70.HB3} 1.972 0.069 0.061 {70.HD2} 1.760 0.102 0.093 {70.CB} 32.017 1.166 1.062 1003.876 3.270 0 0 2476 {28.HB2 70.HB2} 2.128 0.069 0.061 {28.HG3 70.HG3} 1.602 0.102 0.093 {28.CB 70.CB} 32.172 1.166 1.062 971.036 3.270 0 0 2477 {36.HB2} 1.510 0.045 0.065 {36.HB2} 1.542 0.146 0.203 {36.CB} 32.139 1.422 1.716 1497.972 10.094 0 0 2478 {?} 1.170 0.047 0.022 {?} 1.562 0.117 0.063 {?} 32.174 1.468 0.735 143.020 8.731 0 0 2479 {36.HB3} 1.585 0.070 0.078 {36.HG3} 1.180 0.155 0.181 {36.CB} 32.101 1.122 1.322 518.649 3.862 0 0 2480 {36.HB2} 1.509 0.060 0.075 {36.HG3} 1.188 0.095 0.146 {36.CB} 32.128 1.262 1.716 114.005 2.166 0 0 2481 {29.HB 29.HB 29.HB 156.HB2} 2.121 0.055 0.078 {29.HG21 29.HG22 29.HG23 117.HD21} 1.050 0.095 0.155 {29.CB 29.CB 29.CB 156.CB} 32.039 1.029 1.524 5592.594 4.236 0 0 2482 {16.HB 16.HB} 1.905 0.044 0.064 {16.HG11 16.HG12} 1.069 0.111 0.139 {16.CB 16.CB} 31.989 0.947 1.130 1683.828 11.571 0 0 2483 {?} 1.004 0.062 0.059 {?} 1.037 0.099 0.090 {?} 31.905 1.239 1.148 1913.721 10.600 0 0 2484 {36.HB3} 1.584 0.062 0.059 {36.HG2} 0.655 0.099 0.090 {36.CB} 32.165 1.239 1.148 1072.952 10.600 0 0 2485 {36.HB2} 1.507 0.057 0.105 {36.HG2} 0.648 0.108 0.190 {36.CB} 32.137 1.151 1.534 119.623 4.101 0 0 2486 {16.HB 16.HB 16.HB} 1.901 0.064 0.068 {16.HG21 16.HG22 16.HG23} 0.245 0.092 0.098 {16.CB 16.CB 16.CB} 31.899 1.184 1.322 360.838 1.573 0 0 2487 {?} 0.226 0.013 0.021 {?} 0.248 0.141 0.084 {?} 31.846 0.981 0.527 117.361 7.027 0 0 2488 {?} 2.716 0.046 0.035 {?} 9.084 0.107 0.076 {?} 31.397 0.926 0.657 143.270 2.601 0 0 2489 {?} 2.281 0.046 0.035 {?} 9.078 0.107 0.076 {?} 31.339 0.926 0.657 89.321 2.601 0 0 2490 {?} 1.303 0.046 0.014 {?} 8.884 0.138 0.063 {?} 31.284 1.338 0.582 63.369 3.316 0 0 2491 {?} 0.579 0.022 0.046 {?} 8.869 0.128 0.128 {?} 31.353 1.410 1.414 55.707 1.992 0 0 2492 {?} 2.722 0.055 0.083 {?} 8.448 0.082 0.146 {?} 31.385 0.816 1.342 81.525 1.601 0 0 2493 {?} 2.299 0.071 0.096 {?} 8.460 0.104 0.162 {?} 31.422 0.777 1.033 77.606 1.546 0 0 2494 {?} 0.605 0.044 0.053 {?} 8.278 0.168 0.187 {?} 31.458 0.919 1.047 35.268 1.712 0 0 2495 {?} 1.309 0.063 0.071 {?} 7.754 0.178 0.225 {?} 31.331 1.082 1.398 74.599 2.995 0 0 2496 {?} 0.594 0.062 0.086 {?} 7.744 0.083 0.111 {?} 31.314 0.923 1.266 79.266 1.484 0 0 2497 {?} 0.580 0.055 0.076 {?} 7.311 0.103 0.157 {?} 31.414 0.873 1.285 50.212 18.404 0 0 2498 {114.HB3} 0.572 0.045 0.044 {55.HE21} 6.978 0.138 0.134 {114.CB} 31.385 0.937 0.903 79.677 332.441 0 0 2499 {114.HB3} 0.582 0.028 0.009 {57.HA} 5.382 0.157 0.065 {114.CB} 31.389 1.335 0.495 42.612 26.078 0 0 2500 {157.HG2} 2.717 0.067 0.066 {157.HA} 4.680 0.143 0.140 {157.CG} 31.408 0.694 0.677 39.218 155.387 0 0 2501 {157.HG3} 2.293 0.067 0.066 {157.HA} 4.682 0.143 0.140 {157.CG} 31.412 0.694 0.677 105.858 155.387 0 0 2502 {114.HB2} 1.305 0.067 0.066 {114.HA} 4.290 0.143 0.140 {114.CB} 31.307 0.694 0.677 171.638 155.387 0 0 2503 {114.HB3} 0.579 0.060 0.125 {114.HA} 4.287 0.096 0.200 {114.CB} 31.393 0.838 1.511 7.292 9.779 0 0 2504 {97.HB3} 2.437 0.060 0.125 {97.HA} 4.166 0.096 0.200 {97.CB} 31.670 0.838 1.511 35.326 5.594 0 0 2505 {114.HB3} 0.591 0.052 0.098 {113.HA} 3.892 0.094 0.163 {114.CB} 31.273 0.963 1.701 46.840 18.772 0 0 2506 {97.HB3} 2.432 0.052 0.098 {97.HD2} 3.691 0.094 0.163 {97.CB} 31.670 0.963 1.701 8.854 18.772 0 0 2507 {157.HG2} 2.675 0.052 0.064 {157.HG2} 2.692 0.126 0.157 {157.CG} 31.601 1.280 1.603 1331.448 31.816 0 0 2508 {157.HG3} 2.288 0.052 0.064 {157.HG2} 2.732 0.126 0.157 {157.CG} 31.456 1.280 1.603 622.701 31.816 0 0 2509 {?} 2.222 0.052 0.064 {?} 2.690 0.126 0.157 {?} 31.449 1.280 1.603 1080.385 20.546 0 0 2510 {?} 2.149 0.052 0.064 {?} 2.689 0.126 0.157 {?} 31.481 1.280 1.603 342.188 20.546 0 0 2511 {?} 0.577 0.055 0.114 {?} 2.710 0.113 0.220 {?} 31.391 1.221 1.919 11.184 5.021 0 0 2512 {157.HG2} 2.719 0.055 0.114 {157.HG3} 2.314 0.113 0.220 {157.CG} 31.436 1.221 1.919 1990.761 22.992 0 0 2513 {157.HG2} 2.709 0.055 0.114 {158.HB} 1.879 0.113 0.220 {157.CG} 31.390 1.221 1.919 15.117 14.247 0 0 2514 {157.HG2} 2.715 0.057 0.053 {158.HG12} 1.639 0.109 0.101 {157.CG} 31.489 1.130 1.042 10.652 14.327 0 0 2515 {114.HB3} 0.579 0.046 0.059 {114.HB2} 1.288 0.206 0.295 {114.CB} 31.317 1.028 1.297 611.990 2.697 0 0 2516 {?} 2.724 0.050 0.048 {?} 1.246 0.114 0.109 {?} 31.456 1.290 1.214 23.202 3.354 0 0 2517 {?} 2.300 0.063 0.051 {?} 1.239 0.134 0.071 {?} 31.267 1.300 0.793 681.027 1.870 0 0 2518 {157.HG2 157.HG2} 2.720 0.057 0.071 {166.HG11 166.HG13} 1.010 0.149 0.201 {157.CG 157.CG} 31.418 1.250 1.787 603.740 10.892 0 0 2519 {157.HG3 157.HG3} 2.292 0.057 0.071 {166.HG11 166.HG13} 1.004 0.149 0.201 {157.CG 157.CG} 31.429 1.250 1.787 560.753 10.892 0 0 2520 {114.HB3} 0.591 0.057 0.071 {116.HG21} 0.859 0.149 0.201 {114.CB} 31.348 1.250 1.787 61.235 10.892 0 0 2521 {?} 2.721 0.043 0.046 {?} 0.549 0.104 0.110 {?} 31.441 1.162 1.236 241.527 1.316 0 0 2522 {?} 2.288 0.050 0.105 {?} 0.543 0.111 0.192 {?} 31.398 0.851 1.436 84.698 5.349 0 0 2523 {?} 2.168 0.026 0.037 {?} 8.763 0.078 0.290 {?} 30.882 0.831 2.174 70.444 5.428 0 0 2524 {?} 2.167 0.026 0.037 {?} 8.570 0.078 0.290 {?} 30.791 0.831 2.174 272.536 2.361 0 0 2525 {?} 2.067 0.026 0.037 {?} 8.573 0.109 0.239 {?} 30.777 0.784 2.224 305.109 5.146 0 0 2526 {?} 2.232 0.026 0.037 {?} 7.842 0.109 0.239 {?} 30.916 0.784 2.224 129.323 2.047 0 0 2527 {?} 2.117 0.055 0.087 {?} 7.836 0.090 0.178 {?} 30.985 0.989 1.891 72.711 3.961 0 0 2528 {?} 3.072 0.015 0.019 {?} 7.430 0.074 0.094 {?} 30.826 0.928 1.181 82.554 3.661 0 0 2529 {?} 2.315 0.022 0.039 {?} 7.407 0.065 0.160 {?} 30.971 0.862 2.230 74.744 5.416 0 0 2530 {?} 2.237 0.048 0.191 {?} 7.406 0.069 0.220 {?} 30.966 0.750 2.098 196.279 6.329 0 0 2531 {?} 2.121 0.048 0.191 {?} 7.411 0.069 0.220 {?} 30.970 0.750 2.098 190.972 6.329 0 0 2532 {?} 3.139 0.048 0.191 {?} 7.040 0.069 0.220 {?} 31.014 0.750 2.098 70.772 2.921 0 0 2533 {?} 3.100 0.045 0.083 {?} 7.055 0.092 0.192 {?} 30.999 0.853 1.580 111.942 2.667 0 0 2534 {74.HB2} 3.077 0.058 0.082 {74.HD2} 6.627 0.166 0.316 {74.CB} 30.697 0.410 2.048 67.358 1.791 0 0 2535 {?} 2.845 0.066 0.112 {?} 6.651 0.104 0.188 {?} 30.664 0.984 1.760 57.511 5.512 0 0 2536 {?} 2.044 0.063 0.129 {?} 6.593 0.115 0.234 {?} 30.658 0.929 1.969 103.084 3.606 0 0 2537 {?} 3.076 0.030 0.042 {?} 6.323 0.213 0.157 {?} 30.655 1.205 0.724 80.989 3.701 0 0 2538 {?} 3.136 0.030 0.042 {?} 4.735 0.213 0.157 {?} 30.998 1.205 0.724 270.158 7.384 0 0 2539 {?} 3.097 0.030 0.042 {?} 4.733 0.213 0.157 {?} 31.003 1.205 0.724 211.626 7.384 0 0 2540 {157.HG3} 2.237 0.030 0.042 {157.HA} 4.647 0.213 0.157 {157.CG} 30.973 1.205 0.724 167.463 7.384 0 0 2541 {91.HB3} 2.123 0.009 0.005 {88.HA} 4.634 0.188 0.047 {91.CB} 30.975 0.459 0.229 54.799 2.555 0 0 2542 {74.HB2} 3.075 0.052 0.052 {74.HA} 4.292 0.210 0.210 {74.CB} 30.656 0.855 0.856 338.769 1.874 0 0 2543 {74.HB3} 2.850 0.055 0.150 {74.HA} 4.292 0.093 0.133 {74.CB} 30.713 1.664 2.377 278.968 2.668 0 0 2544 {147.HB2} 2.171 0.045 0.055 {147.HA} 4.231 0.111 0.144 {147.CB} 30.728 1.155 1.428 1036.187 2.886 0 0 2545 {91.HB2} 2.321 0.067 0.133 {91.HA} 4.085 0.167 0.268 {91.CB} 30.944 1.125 2.042 126.726 2.493 0 0 2546 {91.HB2} 2.237 0.055 0.109 {91.HA} 4.078 0.103 0.323 {91.CB} 30.907 1.579 2.256 465.063 2.671 0 0 2547 {91.HB3} 2.120 0.059 0.103 {91.HA} 4.079 0.096 0.302 {91.CB} 30.983 0.917 1.652 727.446 2.618 0 0 2548 {100.HB 147.HB2} 2.173 0.052 0.109 {100.HA 147.HD3} 3.418 0.170 0.222 {100.CB 147.CB} 30.715 0.861 1.417 462.184 2.074 0 0 2549 {147.HB3} 2.065 0.073 0.044 {147.HD3} 3.428 0.143 0.086 {147.CB} 30.807 1.070 0.680 170.350 3.380 0 0 2550 {147.HB2 147.HB2} 2.181 0.073 0.044 {14.HB2 147.HD2} 3.279 0.143 0.086 {147.CB 147.CB} 30.846 1.070 0.680 186.778 2.409 0 0 2551 {147.HB3} 2.063 0.062 0.138 {14.HB2} 3.270 0.128 0.261 {147.CB} 30.826 1.054 1.506 423.678 5.473 0 0 2552 {?} 3.137 0.062 0.138 {?} 3.133 0.128 0.261 {?} 30.971 1.054 1.506 20904.842 1.897 0 0 2553 {?} 3.097 0.062 0.138 {?} 3.136 0.128 0.261 {?} 30.977 1.054 1.506 20634.057 1.993 0 0 2554 {74.HB3} 2.846 0.018 0.016 {74.HB2} 3.085 0.105 0.086 {74.CB} 30.701 0.831 1.551 160.620 1.906 0 0 2555 {74.HB2} 3.074 0.040 0.039 {74.HB3} 2.865 0.152 0.150 {74.CB} 30.657 1.158 1.144 314.455 2.057 0 0 2556 {?} 1.300 0.054 0.110 {?} 1.317 0.093 0.218 {?} 30.860 0.919 1.972 5210.633 1.881 0 0 2557 {?} 1.068 0.054 0.110 {?} 1.292 0.093 0.218 {?} 30.842 0.919 1.972 125.608 3.585 0 0 2558 {?} 1.135 0.055 0.055 {?} 1.169 0.088 0.088 {?} 30.775 0.729 0.728 214.217 3.758 0 0 2559 {74.HB2} 3.064 0.028 0.009 {75.HG21} 0.959 0.096 0.025 {74.CB} 30.709 0.751 0.509 85.369 5.261 0 0 2560 {74.HB3 74.HB3} 2.848 0.034 0.010 {75.HG21 75.HG22} 0.955 0.160 0.042 {74.CB 74.CB} 30.714 1.079 0.300 45.754 8.434 0 0 2561 {?} 1.128 0.031 0.058 {?} 0.846 0.139 0.209 {?} 30.631 0.844 1.379 29.505 4.171 0 0 2562 {?} 3.080 0.057 0.086 {?} 0.635 0.162 0.210 {?} 30.723 0.693 0.959 45.480 3.149 0 0 2563 {114.HB3} 0.563 0.058 0.081 {114.HB3} 0.585 0.137 0.190 {114.CB} 31.062 0.967 1.500 539.659 3.615 0 0 2564 {?} 2.227 0.056 0.070 {?} 8.820 0.125 0.179 {?} 30.222 0.960 1.315 149.225 2.949 0 0 2565 {?} 2.075 0.036 0.037 {?} 8.834 0.146 0.149 {?} 30.220 1.375 1.404 238.995 7.169 0 0 2566 {4.HB3} 2.024 0.047 0.059 {4.H} 8.837 0.129 0.166 {4.CB} 30.192 0.783 0.994 263.543 15.110 0 0 2567 {?} 1.694 0.044 0.045 {?} 8.716 0.101 0.104 {?} 30.200 1.060 1.094 158.101 2.280 0 0 2568 {?} 1.540 0.059 0.081 {?} 8.714 0.109 0.209 {?} 30.080 1.080 1.811 175.888 19.859 0 0 2569 {?} 3.272 0.051 0.122 {?} 8.102 0.087 0.215 {?} 30.392 0.949 2.167 163.418 17.724 0 0 2570 {?} 2.203 0.057 0.126 {?} 8.067 0.084 0.184 {?} 30.462 0.810 1.701 306.785 2.076 0 0 2571 {89.HG2} 1.208 0.051 0.105 {89.H} 7.854 0.101 0.241 {89.CG} 30.454 0.848 1.904 88.881 18.559 0 0 2572 {89.HG3} 2.038 0.041 0.107 {89.H} 7.816 0.072 0.167 {89.CG} 30.388 0.995 1.422 210.315 22.190 0 0 2574 {?} 2.386 0.009 0.010 {?} 7.686 0.073 0.080 {?} 30.239 0.698 0.762 91.537 4.257 0 0 2575 {?} 3.270 0.050 0.102 {?} 7.464 0.073 0.198 {?} 30.337 1.338 1.911 125.536 3.959 0 0 2576 {?} 2.456 0.016 0.022 {?} 7.455 0.071 0.101 {?} 30.317 1.135 1.657 145.286 4.794 0 0 2577 {?} 2.433 0.061 0.142 {?} 7.450 0.192 0.274 {?} 30.460 1.503 2.147 130.322 4.889 0 0 2578 {?} 2.859 0.061 0.142 {?} 7.425 0.192 0.274 {?} 30.462 1.503 2.147 99.657 4.386 0 0 2579 {?} 2.032 0.061 0.142 {?} 7.206 0.192 0.274 {?} 30.504 1.503 2.147 154.609 3.676 0 0 2580 {?} 2.192 0.046 0.047 {?} 6.107 0.108 0.111 {?} 30.469 1.033 1.065 187.598 3.304 0 0 2581 {?} 3.279 0.060 0.161 {?} 5.925 0.164 0.289 {?} 30.409 1.102 2.036 31.615 3.068 0 0 2582 {?} 3.254 0.027 0.020 {?} 5.930 0.115 0.084 {?} 30.461 0.800 0.582 52.593 3.938 0 0 2583 {45.HD2 50.HD3 45.HD2} 1.702 0.057 0.097 {44.HA 50.HA 61.HA} 5.231 0.200 0.294 {45.CD 50.CD 45.CD} 30.078 1.244 1.982 189.533 2.389 0 0 2584 {?} 2.279 0.025 0.035 {?} 5.001 0.089 0.049 {?} 30.118 1.004 0.552 43.338 1.787 0 0 2585 {155.HB2} 2.074 0.051 0.074 {155.HA} 5.001 0.094 0.133 {155.CB} 30.208 1.327 1.738 170.368 2.217 0 0 2586 {155.HB2} 2.021 0.063 0.076 {155.HA} 5.003 0.206 0.265 {155.CB} 30.193 1.375 1.746 274.751 6.629 0 0 2587 {24.HB3} 2.510 0.057 0.077 {24.HA} 4.841 0.105 0.192 {24.CB} 30.356 1.158 1.697 493.775 1.690 0 0 2588 {24.HB2} 1.905 0.057 0.042 {24.HA} 4.847 0.117 0.098 {24.CB} 30.367 1.038 0.875 608.002 2.634 0 0 2589 {14.HB2} 3.275 0.057 0.042 {14.HA} 4.679 0.117 0.098 {14.CB} 30.338 1.038 0.875 326.971 2.634 0 0 2590 {14.HB3} 2.439 0.046 0.045 {14.HA} 4.689 0.099 0.098 {14.CB} 30.472 1.150 1.138 85.195 1.689 0 0 2591 {31.HB2} 2.394 0.068 0.112 {31.HA} 4.338 0.100 0.196 {31.CB} 30.171 1.038 1.634 190.199 1.644 0 0 2592 {31.HB3} 2.252 0.069 0.074 {31.HA} 4.330 0.091 0.210 {31.CB} 30.228 1.212 1.294 162.342 3.446 0 0 2593 {14.HB2} 3.279 0.069 0.074 {147.HA} 4.252 0.091 0.210 {14.CB} 30.356 1.212 1.294 30.393 3.446 0 0 2594 {?} 1.191 0.069 0.074 {?} 4.131 0.091 0.210 {?} 30.322 1.212 1.294 156.914 3.446 0 0 2595 {4.HB2 45.HD2} 1.694 0.065 0.112 {5.HA 63.HA3} 4.008 0.133 0.240 {4.CB 45.CD} 30.153 1.469 2.246 346.677 12.680 0 0 2596 {?} 3.065 0.065 0.112 {?} 3.896 0.133 0.240 {?} 30.475 1.469 2.246 72.273 8.963 0 0 2597 {24.HB3} 2.513 0.065 0.112 {25.HD3} 3.906 0.133 0.240 {24.CB} 30.321 1.469 2.246 417.886 8.963 0 0 2598 {24.HB2} 1.901 0.071 0.211 {25.HD3} 3.911 0.130 0.256 {24.CB} 30.294 0.651 2.047 666.546 28.387 0 0 2599 {?} 2.432 0.071 0.211 {?} 3.852 0.130 0.256 {?} 30.344 0.651 2.047 369.014 2.880 0 0 2600 {24.HB3 24.HB3} 2.510 0.011 0.012 {24.HD2 25.HD2} 3.741 0.097 0.110 {24.CB 24.CB} 30.329 1.433 1.597 91.328 27.683 0 0 2601 {24.HB2 24.HB2} 1.907 0.011 0.012 {24.HD2 25.HD2} 3.742 0.097 0.110 {24.CB 24.CB} 30.347 1.433 1.597 9.691 27.683 0 0 2602 {?} 1.699 0.059 0.109 {?} 3.465 0.090 0.301 {?} 30.212 1.303 2.199 511.121 38.842 0 0 2603 {4.HB3} 1.975 0.053 0.059 {4.HA} 3.393 0.105 0.121 {4.CB} 30.055 1.134 1.353 189.083 7.260 0 0 2604 {14.HB2} 3.274 0.053 0.059 {14.HB2} 3.289 0.105 0.121 {14.CB} 30.350 1.134 1.353 507.149 7.260 0 0 2605 {14.HB3} 2.438 0.053 0.156 {14.HB2} 3.289 0.040 0.301 {14.CB} 30.324 1.377 2.168 13.078 3.868 0 0 2606 {74.HB3} 2.845 0.053 0.156 {74.HB3} 2.860 0.040 0.301 {74.CB} 30.544 1.377 2.168 54.829 3.868 0 0 2607 {89.HG3} 2.035 0.053 0.156 {89.HA} 2.808 0.040 0.301 {89.CG} 30.477 1.377 2.168 84.002 2.816 0 0 2608 {89.HG2} 1.196 0.053 0.156 {89.HA} 2.805 0.040 0.301 {89.CG} 30.438 1.377 2.168 36.559 4.535 0 0 2609 {45.HD3} 1.793 0.053 0.156 {45.HE2} 2.757 0.040 0.301 {45.CD} 30.353 1.377 2.168 37.176 1.928 0 0 2610 {45.HD2} 1.693 0.053 0.156 {45.HE2} 2.757 0.040 0.301 {45.CD} 30.337 1.377 2.168 89.074 2.584 0 0 2611 {24.HB2} 1.906 0.014 0.014 {24.HB3} 2.531 0.108 0.106 {24.CB} 30.316 1.510 1.486 231.466 6.052 0 0 2612 {?} 7.959 0.066 0.173 {?} 2.503 0.185 0.295 {?} 30.177 1.183 2.027 7.099 7.204 0 0 2613 {14.HB2} 3.275 0.066 0.173 {14.HB3} 2.456 0.185 0.295 {14.CB} 30.353 1.183 2.027 155.585 3.704 0 0 2614 {24.HB3} 2.511 0.066 0.173 {24.HG3} 2.227 0.185 0.295 {24.CB} 30.347 1.183 2.027 186.884 3.648 0 0 2615 {89.HG3 155.HB2} 2.022 0.053 0.129 {89.HG3 155.HB2} 2.052 0.121 0.205 {89.CG 155.CB} 30.199 0.982 1.839 579.705 2.096 0 0 2616 {89.HG2} 1.200 0.053 0.129 {89.HG3} 2.035 0.121 0.205 {89.CG} 30.453 0.982 1.839 615.599 2.104 0 0 2617 {24.HB3} 2.514 0.053 0.129 {24.HB2} 1.925 0.121 0.205 {24.CB} 30.350 0.982 1.839 101.533 1.873 0 0 2618 {14.HB2} 3.265 0.059 0.111 {147.HG3} 1.806 0.143 0.205 {14.CB} 30.467 1.297 2.052 143.888 2.409 0 0 2619 {?} 3.237 0.060 0.105 {?} 1.601 0.109 0.194 {?} 30.572 1.311 2.021 52.070 2.423 0 0 2620 {?} 1.586 0.060 0.105 {?} 1.604 0.109 0.194 {?} 30.352 1.311 2.021 3494.595 2.933 0 0 2621 {89.HG3 89.HG3} 2.039 0.060 0.105 {89.HB2 89.HB3} 1.493 0.109 0.194 {89.CG 89.CG} 30.471 1.311 2.021 252.173 3.698 0 0 2622 {100.HB} 2.203 0.040 0.067 {89.HG2} 1.221 0.106 0.158 {100.CB} 30.481 1.261 1.579 71.965 5.434 0 0 2623 {89.HG3} 2.033 0.040 0.067 {89.HG2} 1.218 0.106 0.158 {89.CG} 30.423 1.261 1.579 431.607 5.434 0 0 2624 {89.HG2} 1.200 0.040 0.067 {89.HG2} 1.229 0.106 0.158 {89.CG} 30.445 1.261 1.579 678.849 4.254 0 0 2625 {45.HD3} 1.795 0.040 0.067 {61.HB1} 1.201 0.106 0.158 {45.CD} 30.360 1.261 1.579 171.425 4.761 0 0 2626 {45.HD2 45.HD2} 1.700 0.040 0.067 {61.HB1 61.HB3} 1.172 0.106 0.158 {45.CD 45.CD} 30.154 1.261 1.579 465.027 4.761 0 0 2627 {14.HB3 14.HB3} 2.436 0.025 0.036 {16.HG11 16.HG13} 1.098 0.076 0.056 {14.CB 14.CB} 30.354 1.143 0.846 456.704 2.419 0 0 2628 {14.HB2 14.HB2 14.HB2} 3.271 0.025 0.036 {16.HG11 16.HG12 16.HG13} 1.075 0.076 0.056 {14.CB 14.CB 14.CB} 30.359 1.143 0.846 13.564 2.330 0 0 2629 {?} 2.485 0.025 0.036 {?} 0.970 0.076 0.056 {?} 30.225 1.143 0.846 34.680 2.097 0 0 2630 {31.HB2 31.HB2 31.HB2} 2.384 0.051 0.074 {33.HD11 33.HD12 33.HD13} 0.965 0.130 0.175 {31.CB 31.CB 31.CB} 30.098 0.870 1.184 250.247 15.104 0 0 2631 {14.HB2} 3.276 0.063 0.080 {151.HB1} 0.909 0.121 0.161 {14.CB} 30.396 1.027 1.432 108.908 9.528 0 0 2632 {31.HB2 31.HB2 31.HB2 14.HB3} 2.441 0.042 0.044 {33.HD11 33.HD12 33.HD13 151.HB1} 0.916 0.112 0.117 {31.CB 31.CB 31.CB 14.CB} 30.292 1.159 1.225 12.427 4.744 0 0 2633 {?} 2.200 0.042 0.044 {?} 0.901 0.112 0.117 {?} 30.485 1.159 1.225 648.175 5.631 0 0 2634 {?} 1.200 0.047 0.064 {?} 0.851 0.116 0.136 {?} 30.408 0.963 1.089 240.442 4.720 0 0 2635 {100.HB 100.HB 100.HB} 2.229 0.047 0.064 {95.HG21 95.HG22 95.HG23} 0.555 0.116 0.136 {100.CB 100.CB 100.CB} 30.499 0.963 1.089 147.668 4.630 0 0 2636 {45.HD2} 1.701 0.042 0.036 {44.HG22} 0.592 0.101 0.082 {45.CD} 30.115 0.731 0.593 43.403 4.159 0 0 2637 {100.HB 100.HB 100.HB} 2.202 0.053 0.120 {95.HG21 95.HG22 95.HG23} 0.534 0.206 0.307 {100.CB 100.CB 100.CB} 30.373 0.836 1.635 98.811 13.194 0 0 2638 {?} 2.029 0.039 0.056 {?} 0.534 0.095 0.250 {?} 30.446 0.957 1.327 225.336 1.883 0 0 2639 {89.HG2 89.HG2} 1.197 0.029 0.023 {95.HG21 95.HG22} 0.536 0.094 0.066 {89.CG 89.CG} 30.428 0.344 0.243 252.801 2.083 0 0 2640 {147.HB2 147.HB2} 2.170 0.059 0.070 {16.HG21 16.HG22} 0.253 0.117 0.148 {147.CB 147.CB} 30.588 0.765 0.983 84.445 9.783 0 0 2641 {45.HD2 45.HD3 45.HD2 45.HD3 45.HD2 45.HD3} 1.775 0.059 0.075 {67.HD11 67.HD11 67.HD12 67.HD12 67.HD13 67.HD13} 0.091 0.081 0.117 {45.CD 45.CD 45.CD 45.CD 45.CD 45.CD} 30.207 1.183 1.785 46.313 2.869 0 0 2642 {45.HD2} 1.700 0.040 0.062 {45.H} 9.174 0.105 0.176 {45.CD} 29.975 1.151 1.633 141.938 2.747 0 0 2643 {?} 1.592 0.030 0.023 {?} 8.731 0.123 0.093 {?} 29.883 1.060 0.800 164.990 3.680 0 0 2644 {?} 1.417 0.040 0.041 {?} 8.720 0.128 0.133 {?} 30.028 1.068 1.102 43.370 2.867 0 0 2645 {?} 2.447 0.013 0.021 {?} 8.335 0.138 0.077 {?} 29.723 1.101 0.599 264.889 1.700 0 0 2646 {?} 2.083 0.063 0.068 {?} 8.322 0.171 0.182 {?} 29.796 1.159 1.308 186.818 3.803 0 0 2647 {?} 1.702 0.039 0.033 {?} 8.041 0.083 0.155 {?} 29.893 1.068 0.844 107.206 38.026 0 0 2648 {?} 1.467 0.024 0.020 {?} 7.507 0.111 0.084 {?} 29.542 1.189 0.905 141.264 40.000 0 0 2649 {50.HD2 50.HD3} 1.606 0.040 0.029 {50.HA 50.HA} 5.226 0.213 0.109 {50.CD 50.CD} 29.939 0.849 0.615 101.643 2.578 0 0 2650 {45.HD2} 1.688 0.040 0.029 {45.HA} 4.858 0.213 0.109 {45.CD} 29.957 0.849 0.615 207.545 4.344 0 0 2651 {?} 2.481 0.047 0.048 {?} 4.304 0.093 0.096 {?} 29.818 1.038 1.063 174.922 125.388 0 0 2652 {50.HD2} 1.599 0.047 0.048 {84.HA3} 4.316 0.093 0.096 {50.CD} 29.980 1.038 1.063 200.357 125.388 0 0 2653 {55.HB2} 2.438 0.047 0.048 {55.HA} 4.251 0.093 0.096 {55.CB} 29.828 1.038 1.063 263.129 125.388 0 0 2654 {64.HB3} 2.009 0.059 0.042 {64.HA} 4.258 0.133 0.102 {64.CB} 29.828 1.280 1.043 617.986 27.567 0 0 2655 {?} 1.599 0.038 0.036 {?} 4.030 0.151 0.143 {?} 29.983 1.309 1.253 156.612 17.424 0 0 2656 {36.HD2 36.HD3} 1.476 0.056 0.053 {33.HA 33.HA} 4.014 0.158 0.153 {36.CD 36.CD} 29.705 1.099 1.044 4.425 19.132 0 0 2657 {?} 1.599 0.050 0.024 {?} 3.535 0.114 0.053 {?} 29.977 0.667 0.304 97.473 48.288 0 0 2658 {36.HD2 36.HD3} 1.481 0.034 0.034 {36.HA 36.HA} 3.418 0.143 0.142 {36.CD 36.CD} 29.682 1.294 1.287 86.178 2.724 0 0 2659 {36.HD2 36.HD3} 1.446 0.033 0.039 {36.HA 36.HA} 3.412 0.124 0.136 {36.CD 36.CD} 29.686 1.012 1.120 94.060 2.629 0 0 2660 {4.HB3 4.HB3} 1.970 0.060 0.064 {4.HD2 4.HD3} 3.136 0.104 0.116 {4.CB 4.CB} 30.009 1.094 1.222 66.637 2.164 0 0 2661 {?} 1.599 0.082 0.041 {?} 3.038 0.074 0.035 {?} 29.905 1.104 0.517 238.135 6.161 0 0 2662 {?} 1.421 0.082 0.041 {?} 3.033 0.074 0.035 {?} 29.895 1.104 0.517 857.889 6.161 0 0 2663 {36.HD2 36.HD3 36.HD2 36.HD3} 1.464 0.082 0.041 {36.HE2 36.HE2 36.HE3 36.HE3} 2.866 0.074 0.035 {36.CD 36.CD 36.CD 36.CD} 29.533 1.104 0.517 1963.805 6.161 0 0 2664 {64.HB3 64.HB3 155.HB2} 2.016 0.082 0.041 {64.HB2 64.HG3 155.HG2} 2.254 0.074 0.035 {64.CB 64.CB 155.CB} 30.016 1.104 0.517 981.676 6.161 0 0 2665 {?} 1.594 0.021 0.034 {?} 2.250 0.166 0.081 {?} 29.971 1.022 0.608 252.124 5.069 0 0 2666 {?} 2.148 0.043 0.038 {?} 2.160 0.126 0.100 {?} 29.631 1.134 0.918 7231.790 6.562 0 0 2667 {?} 2.847 0.040 0.077 {?} 1.478 0.126 0.181 {?} 29.654 0.997 1.996 167.893 2.450 0 0 2668 {?} 1.170 0.090 0.161 {?} 1.479 0.163 0.276 {?} 29.702 1.513 2.162 274.388 2.718 0 0 2669 {?} 0.636 0.090 0.161 {?} 1.484 0.163 0.276 {?} 29.627 1.513 2.162 53.023 7.596 0 0 2670 {55.HB2} 2.423 0.090 0.161 {55.HG2} 1.289 0.163 0.276 {55.CB} 29.799 1.513 2.162 135.275 7.523 0 0 2671 {?} 1.598 0.050 0.127 {?} 1.177 0.126 0.181 {?} 29.960 1.321 1.887 482.299 3.202 0 0 2672 {36.HD2 36.HD3} 1.468 0.024 0.044 {36.HG3 36.HG3} 1.181 0.098 0.066 {36.CD 36.CD} 29.637 0.901 0.614 687.612 14.816 0 0 2673 {?} 1.545 0.053 0.125 {?} 0.993 0.101 0.228 {?} 29.960 1.005 2.150 349.834 18.102 0 0 2674 {?} 2.125 0.053 0.125 {?} 0.960 0.101 0.228 {?} 29.692 1.005 2.150 287.182 18.102 0 0 2675 {?} 1.704 0.046 0.040 {?} 0.809 0.099 0.087 {?} 29.924 0.734 0.646 516.849 4.245 0 0 2676 {73.HB3} 2.854 0.040 0.029 {81.HG} 0.642 0.164 0.115 {73.CB} 29.531 0.924 0.680 149.841 2.985 0 0 2677 {36.HD2 36.HD3} 1.460 0.017 0.029 {36.HG2 36.HG2} 0.651 0.122 0.096 {36.CD 36.CD} 29.619 0.955 0.754 865.220 2.961 0 0 2678 {?} 1.443 0.019 0.041 {?} 9.164 0.102 0.094 {?} 29.194 1.082 0.994 92.821 3.015 0 0 2679 {?} 1.517 0.035 0.033 {?} 8.959 0.106 0.099 {?} 29.060 1.090 1.018 136.341 5.310 0 0 2680 {?} 2.299 0.027 0.033 {?} 8.895 0.150 0.168 {?} 29.241 1.459 1.640 122.913 6.042 0 0 2681 {?} 1.932 0.038 0.032 {?} 8.901 0.147 0.117 {?} 29.103 0.439 0.358 71.123 6.390 0 0 2682 {?} 1.764 0.038 0.032 {?} 8.290 0.147 0.117 {?} 29.184 0.439 0.358 371.189 6.390 0 0 2683 {?} 2.306 0.038 0.032 {?} 7.996 0.147 0.117 {?} 29.413 0.439 0.358 16.617 6.390 0 0 2684 {?} 1.896 0.050 0.052 {?} 7.683 0.114 0.126 {?} 28.984 1.209 1.394 280.394 2.248 0 0 2685 {?} 1.754 0.068 0.187 {?} 7.675 0.062 0.194 {?} 29.148 1.028 1.468 364.326 1.607 0 0 2686 {?} 2.075 0.068 0.187 {?} 7.395 0.062 0.194 {?} 29.258 1.028 1.468 112.663 5.393 0 0 2687 {?} 1.749 0.068 0.187 {?} 7.415 0.062 0.194 {?} 29.030 1.028 1.468 79.240 1.559 0 0 2688 {?} 1.749 0.068 0.187 {?} 7.140 0.062 0.194 {?} 29.062 1.028 1.468 92.350 1.818 0 0 2689 {?} 1.760 0.052 0.064 {?} 6.643 0.120 0.155 {?} 29.310 1.058 1.525 41.197 2.257 0 0 2690 {?} 1.744 0.052 0.064 {?} 5.383 0.120 0.155 {?} 29.249 1.058 1.525 108.729 2.257 0 0 2691 {?} 1.754 0.052 0.064 {?} 4.876 0.120 0.155 {?} 29.114 1.058 1.525 187.166 2.257 0 0 2692 {?} 1.760 0.022 0.018 {?} 4.514 0.118 0.095 {?} 29.194 1.146 0.924 972.122 1.896 0 0 2693 {2.HD2} 1.517 0.022 0.018 {2.HA} 4.507 0.118 0.095 {2.CD} 28.981 1.146 0.924 757.567 1.896 0 0 2694 {110.HB3} 2.300 0.022 0.018 {110.HA} 4.412 0.118 0.095 {110.CB} 29.096 1.146 0.924 1065.214 1.896 0 0 2695 {110.HB2} 1.937 0.054 0.102 {110.HA} 4.412 0.121 0.381 {110.CB} 29.111 0.940 1.508 882.237 1.987 0 0 2696 {73.HB3} 2.884 0.054 0.102 {73.HA} 4.343 0.121 0.381 {73.CB} 29.256 0.940 1.508 71.675 1.987 0 0 2697 {34.HB3} 2.078 0.054 0.102 {34.HA} 4.124 0.121 0.381 {34.CB} 29.200 0.940 1.508 2688.162 1.987 0 0 2698 {?} 1.752 0.061 0.142 {?} 3.845 0.200 0.285 {?} 29.107 1.450 2.071 90.690 2.430 0 0 2699 {?} 3.530 0.035 0.046 {?} 3.530 0.189 0.301 {?} 29.328 1.148 1.991 148.738 2.469 0 0 2700 {?} 3.506 0.038 0.034 {?} 3.531 0.083 0.119 {?} 29.329 1.123 0.937 123.696 1.672 0 0 2701 {?} 3.336 0.044 0.036 {?} 3.531 0.084 0.063 {?} 29.302 1.010 0.751 39.641 2.185 0 0 2702 {?} 3.517 0.042 0.045 {?} 3.355 0.150 0.173 {?} 29.319 1.616 1.740 60.914 1.954 0 0 2703 {?} 3.342 0.050 0.109 {?} 3.355 0.134 0.226 {?} 29.295 1.072 2.028 277.164 1.770 0 0 2704 {110.HB3} 2.301 0.072 0.127 {112.HD2} 3.209 0.155 0.221 {110.CB} 29.093 1.516 2.166 116.346 5.331 0 0 2705 {70.HD2} 1.753 0.041 0.074 {70.HE2} 3.034 0.134 0.211 {70.CD} 29.217 0.579 2.182 1837.785 1.778 0 0 2706 {?} 2.482 0.058 0.139 {?} 2.884 0.152 0.285 {?} 29.420 1.221 1.745 110.854 6.601 0 0 2707 {?} 1.747 0.058 0.139 {?} 2.705 0.152 0.285 {?} 29.214 1.221 1.745 135.358 5.018 0 0 2708 {73.HB3} 2.862 0.058 0.139 {73.HB2} 2.495 0.152 0.285 {73.CB} 29.281 1.221 1.745 71.266 4.604 0 0 2709 {?} 3.025 0.019 0.021 {?} 2.086 0.146 0.160 {?} 29.070 0.768 0.891 328.354 4.370 0 0 2710 {34.HB2 34.HB3 55.HB3} 2.076 0.042 0.035 {34.HB2 34.HB3 55.HB3} 2.092 0.186 0.160 {34.CB 34.CB 55.CB} 29.391 1.131 0.841 1720.348 1.900 0 0 2711 {?} 1.498 0.042 0.035 {?} 2.048 0.186 0.160 {?} 29.043 1.131 0.841 4.734 2.759 0 0 2712 {?} 3.103 0.042 0.035 {?} 1.833 0.186 0.160 {?} 29.060 1.131 0.841 20.064 3.234 0 0 2713 {?} 1.553 0.011 0.018 {?} 1.820 0.203 0.139 {?} 29.022 1.366 0.836 2350.037 2.574 0 0 2714 {?} 3.029 0.011 0.018 {?} 1.764 0.203 0.139 {?} 29.223 1.366 0.836 1077.005 1.801 0 0 2715 {70.HD2} 1.750 0.011 0.018 {70.HD2} 1.768 0.203 0.139 {70.CD} 29.216 1.366 0.836 40523.594 6.014 0 0 2716 {?} 1.506 0.060 0.100 {?} 1.774 0.129 0.200 {?} 29.228 1.102 1.786 1798.416 1.726 0 0 2717 {?} 1.452 0.048 0.074 {?} 1.775 0.135 0.190 {?} 29.089 1.131 1.554 1961.764 1.984 0 0 2718 {?} 1.342 0.052 0.052 {?} 1.769 0.097 0.097 {?} 29.263 1.033 1.037 987.735 3.081 0 0 2719 {35.HG12} 1.287 0.055 0.057 {35.HB} 1.772 0.163 0.168 {35.CG1} 28.989 0.848 0.884 69.300 3.246 0 0 2720 {?} 1.150 0.036 0.013 {?} 1.778 0.080 0.024 {?} 29.162 0.820 0.240 36.861 1.703 0 0 2721 {?} 3.103 0.036 0.013 {?} 1.615 0.080 0.024 {?} 29.105 0.820 0.240 74.713 3.340 0 0 2722 {?} 3.029 0.054 0.104 {?} 1.493 0.151 0.244 {?} 29.092 1.100 1.843 125.769 3.175 0 0 2723 {36.HD2 36.HD3} 1.476 0.057 0.083 {36.HD2 36.HD3} 1.488 0.152 0.212 {36.CD 36.CD} 29.439 1.005 1.616 3003.918 4.588 0 0 2724 {?} 1.753 0.026 0.037 {?} 1.473 0.138 0.105 {?} 29.169 1.499 1.031 1623.827 2.401 0 0 2725 {73.HB2} 2.472 0.054 0.054 {81.HG} 0.659 0.113 0.113 {73.CB} 29.251 1.136 1.144 135.450 4.462 0 0 2726 {?} 1.746 0.054 0.054 {?} 0.578 0.113 0.113 {?} 29.070 1.136 1.144 353.881 4.462 0 0 2727 {34.HB2 34.HB2 34.HB3} 2.074 0.051 0.054 {35.HD11 35.HD13 35.HD13} 0.363 0.132 0.146 {34.CB 34.CB 34.CB} 29.344 1.277 1.429 142.394 5.757 0 0 2728 {?} 1.800 0.028 0.013 {?} 9.766 0.132 0.072 {?} 28.461 1.022 0.545 131.318 4.721 0 0 2729 {?} 2.097 0.049 0.095 {?} 9.706 0.124 0.211 {?} 28.781 0.962 1.721 36.202 4.336 0 0 2730 {?} 1.496 0.061 0.125 {?} 9.626 0.117 0.200 {?} 28.552 0.832 1.473 37.925 4.726 0 0 2731 {?} 2.160 0.039 0.022 {?} 9.239 0.174 0.106 {?} 28.786 1.381 0.932 68.809 13.538 0 0 2732 {?} 2.597 0.041 0.053 {?} 8.883 0.129 0.159 {?} 28.789 1.291 1.603 63.193 2.520 0 0 2733 {?} 2.151 0.017 0.032 {?} 8.879 0.106 0.094 {?} 28.852 0.728 0.647 27.276 5.372 0 0 2734 {?} 2.605 0.017 0.032 {?} 8.120 0.106 0.094 {?} 28.831 0.728 0.647 8.514 5.372 0 0 2735 {?} 2.576 0.026 0.037 {?} 8.119 0.150 0.099 {?} 28.806 1.224 0.813 36.390 2.961 0 0 2736 {?} 1.900 0.040 0.072 {?} 8.007 0.132 0.187 {?} 28.830 1.033 1.470 42.223 3.323 0 0 2737 {?} 2.367 0.032 0.065 {?} 7.686 0.116 0.102 {?} 28.914 1.176 1.033 17.464 3.136 0 0 2738 {?} 2.104 0.054 0.072 {?} 7.696 0.109 0.170 {?} 28.747 0.856 1.142 143.220 5.179 0 0 2739 {131.HB3} 2.033 0.056 0.018 {132.H} 7.668 0.063 0.062 {131.CB} 28.778 0.844 0.361 161.806 3.503 0 0 2740 {?} 1.022 0.023 0.045 {?} 7.528 0.155 0.128 {?} 28.666 1.360 1.209 233.585 3.481 0 0 2741 {?} 1.796 0.042 0.057 {?} 7.427 0.091 0.127 {?} 28.511 1.234 1.852 600.795 7.517 0 0 2742 {?} 1.286 0.058 0.082 {?} 7.395 0.127 0.197 {?} 28.698 1.133 1.721 186.948 6.941 0 0 2743 {?} 1.039 0.028 0.017 {?} 7.344 0.167 0.100 {?} 28.718 0.932 0.524 171.740 1.726 0 0 2744 {?} 0.906 0.028 0.017 {?} 7.386 0.167 0.100 {?} 28.671 0.932 0.524 215.622 3.089 0 0 2745 {?} 1.798 0.041 0.040 {?} 7.136 0.193 0.191 {?} 28.458 0.919 0.906 609.475 2.996 0 0 2746 {?} 1.807 0.037 0.052 {?} 6.228 0.089 0.197 {?} 28.541 0.827 1.714 29.448 3.325 0 0 2747 {47.HG} 1.797 0.062 0.089 {47.HA} 4.908 0.112 0.235 {47.CG} 28.542 0.867 2.004 432.256 3.529 0 0 2748 {2.HD2 2.HD3} 1.478 0.062 0.089 {2.HA 2.HA} 4.498 0.112 0.235 {2.CD 2.CD} 28.852 0.867 2.004 28.197 2.049 0 0 2749 {?} 1.918 0.025 0.032 {?} 4.224 0.237 0.084 {?} 28.427 0.820 0.319 637.629 11.645 0 0 2750 {142.HB3} 2.607 0.092 0.127 {142.HA} 4.120 0.128 0.183 {142.CB} 28.840 0.988 2.233 50.977 18.631 0 0 2751 {35.HG12 35.HG12} 1.285 0.092 0.127 {32.HA2 32.HA3} 3.997 0.128 0.183 {35.CG1 35.CG1} 28.710 0.988 2.233 49.771 1.938 0 0 2752 {119.HD2} 1.817 0.092 0.127 {119.HA} 3.822 0.128 0.183 {119.CD} 28.637 0.988 2.233 776.962 50.711 0 0 2753 {119.HD3} 1.511 0.048 0.069 {119.HA} 3.811 0.121 0.199 {119.CD} 28.778 1.021 1.698 318.775 6.971 0 0 2754 {?} 1.022 0.044 0.074 {?} 3.748 0.132 0.182 {?} 28.558 0.999 1.359 213.365 14.753 0 0 2755 {?} 0.338 0.045 0.030 {?} 3.678 0.086 0.040 {?} 28.836 1.230 0.595 34.496 33.042 0 0 2756 {35.HG12} 1.288 0.070 0.066 {35.HA} 3.658 0.083 0.075 {35.CG1} 28.727 0.887 0.803 160.858 71.442 0 0 2757 {147.HG2 147.HG3} 1.787 0.060 0.053 {147.HD3 147.HD3} 3.435 0.106 0.089 {147.CG 147.CG} 28.423 0.827 0.696 438.622 8.137 0 0 2758 {110.HB3} 2.273 0.056 0.116 {112.HD2} 3.199 0.125 0.239 {110.CB} 28.812 1.209 1.889 231.747 9.290 0 0 2759 {133.HD3} 1.815 0.056 0.116 {133.HE3} 3.058 0.125 0.239 {133.CD} 28.608 1.209 1.889 2157.208 9.290 0 0 2760 {?} 1.646 0.056 0.116 {?} 3.030 0.125 0.239 {?} 28.478 1.209 1.889 714.910 3.725 0 0 2761 {133.HD2} 1.509 0.061 0.125 {133.HE3} 3.045 0.127 0.207 {133.CD} 28.879 1.087 1.840 994.957 170.896 0 0 2762 {?} 1.027 0.061 0.125 {?} 2.927 0.127 0.207 {?} 28.615 1.087 1.840 86.411 170.896 0 0 2763 {?} 0.876 0.061 0.125 {?} 2.924 0.127 0.207 {?} 28.658 1.087 1.840 61.250 170.896 0 0 2764 {?} 2.150 0.051 0.117 {?} 2.852 0.126 0.228 {?} 28.622 1.037 1.965 236.707 9.372 0 0 2765 {?} 2.600 0.044 0.114 {?} 2.824 0.104 0.203 {?} 28.723 0.763 1.805 71.834 10.021 0 0 2766 {?} 1.807 0.044 0.081 {?} 2.762 0.123 0.195 {?} 28.615 1.071 2.072 107.989 2.053 0 0 2767 {142.HB3} 2.585 0.045 0.067 {142.HB3} 2.594 0.098 0.149 {142.CB} 28.750 1.071 1.481 94.430 56.577 0 0 2768 {?} 2.363 0.045 0.067 {?} 2.597 0.098 0.149 {?} 28.806 1.071 1.481 1276.665 56.577 0 0 2769 {?} 1.895 0.026 0.037 {?} 2.592 0.139 0.253 {?} 28.794 1.316 1.873 1439.351 7.156 0 0 2770 {2.HD2 2.HD3} 1.525 0.026 0.037 {6.HB2 6.HB2} 2.592 0.159 0.247 {2.CD 2.CD} 28.867 1.340 1.825 568.294 2.283 0 0 2771 {2.HD2 2.HD3} 1.496 0.037 0.052 {6.HB2 6.HB2} 2.609 0.111 0.159 {2.CD 2.CD} 28.872 0.814 1.163 765.697 2.751 0 0 2772 {119.HD3} 1.493 0.022 0.042 {160.HB3} 2.441 0.166 0.139 {119.CD} 28.861 1.149 0.999 68.322 2.923 0 0 2773 {?} 2.574 0.045 0.064 {?} 2.357 0.126 0.181 {?} 28.778 0.893 1.873 46.397 5.956 0 0 2774 {35.HG12 35.HG12} 1.289 0.045 0.064 {34.HB2 34.HB3} 2.093 0.126 0.181 {35.CG1 35.CG1} 28.634 0.893 1.873 101.294 5.956 0 0 2775 {119.HD3} 1.462 0.045 0.064 {119.HB2} 2.058 0.126 0.181 {119.CD} 28.791 0.893 1.873 498.857 5.956 0 0 2776 {?} 0.943 0.045 0.064 {?} 1.999 0.126 0.181 {?} 28.904 0.893 1.873 421.445 5.956 0 0 2777 {110.HB3 164.HB2} 2.361 0.047 0.067 {110.HB2 164.HB3} 1.927 0.188 0.269 {110.CB 164.CB} 28.792 0.994 1.420 1404.230 17.638 0 0 2778 {?} 1.805 0.047 0.067 {?} 1.824 0.188 0.269 {?} 28.896 0.994 1.420 54514.445 17.638 0 0 2779 {?} 2.298 0.047 0.067 {?} 1.665 0.188 0.269 {?} 28.921 0.994 1.420 278.774 3.310 0 0 2780 {?} 1.810 0.047 0.067 {?} 1.618 0.188 0.269 {?} 28.800 0.994 1.420 26139.885 9.478 0 0 2781 {?} 2.913 0.072 0.127 {?} 1.499 0.143 0.205 {?} 28.845 1.152 1.645 61.554 2.244 0 0 2782 {?} 2.305 0.072 0.127 {?} 1.257 0.143 0.205 {?} 28.564 1.152 1.645 733.507 5.170 0 0 2783 {?} 1.287 0.072 0.127 {?} 1.302 0.143 0.205 {?} 28.640 1.152 1.645 2097.960 5.366 0 0 2784 {?} 0.915 0.072 0.127 {?} 1.301 0.143 0.205 {?} 28.675 1.152 1.645 1196.857 44.200 0 0 2785 {?} 0.340 0.072 0.127 {?} 1.300 0.143 0.205 {?} 28.666 1.152 1.645 27.334 44.200 0 0 2786 {?} 1.904 0.047 0.067 {?} 1.231 0.153 0.219 {?} 28.694 1.910 2.729 1080.600 11.129 0 0 2787 {164.HB2 164.HB2} 2.363 0.047 0.067 {75.HG21 75.HG23} 0.957 0.153 0.219 {164.CB 164.CB} 28.864 1.910 2.729 473.193 2.443 0 0 2788 {?} 1.896 0.047 0.067 {?} 0.962 0.153 0.219 {?} 28.709 1.910 2.729 657.399 3.028 0 0 2789 {?} 1.289 0.047 0.067 {?} 0.936 0.153 0.219 {?} 28.704 1.910 2.729 651.578 3.028 0 0 2790 {?} 0.339 0.047 0.067 {?} 0.930 0.153 0.219 {?} 28.729 1.910 2.729 87.941 3.146 0 0 2791 {164.HB2 164.HB2} 2.368 0.047 0.067 {75.HG11 75.HG12} 0.633 0.153 0.219 {164.CB 164.CB} 28.858 1.910 2.729 73.191 3.146 0 0 2792 {164.HB3 164.HB3} 1.897 0.047 0.067 {75.HG11 75.HG12} 0.632 0.153 0.219 {164.CB 164.CB} 28.688 1.910 2.729 76.141 3.146 0 0 2793 {?} 0.558 0.037 0.052 {?} 0.579 0.146 0.209 {?} 28.530 0.821 2.147 541.392 11.561 0 0 2794 {35.HG12 35.HG12 35.HG12} 1.288 0.037 0.052 {35.HD11 35.HD12 35.HD13} 0.357 0.146 0.209 {35.CG1 35.CG1 35.CG1} 28.709 0.821 2.147 585.466 11.561 0 0 2795 {?} 1.035 0.037 0.052 {?} 0.350 0.146 0.209 {?} 28.599 0.821 2.147 539.082 11.561 0 0 2796 {35.HG13 35.HG13 35.HG13 106.HG12 106.HG12 106.HG13 106.HG13} 0.909 0.054 0.119 {35.HD11 35.HD12 35.HD13 106.HD11 106.HD12 106.HD12 106.HD13} 0.355 0.126 0.181 {35.CG1 35.CG1 35.CG1 106.CG1 106.CG1 106.CG1 106.CG1} 28.659 1.445 2.036 1629.886 1.803 0 0 2797 {?} 0.338 0.062 0.089 {?} 0.354 0.105 0.181 {?} 28.672 0.920 2.223 296.798 1.470 0 0 2798 {?} 0.886 0.062 0.089 {?} -0.086 0.105 0.181 {?} 28.725 0.920 2.223 142.034 1.524 0 0 2799 {?} 2.024 0.018 0.011 {?} 10.399 0.116 0.071 {?} 28.116 0.958 0.584 89.612 6.024 0 0 2800 {?} 2.021 0.034 0.023 {?} 9.942 0.186 0.104 {?} 28.127 0.624 0.948 66.562 2.114 0 0 2801 {?} 1.657 0.055 0.079 {?} 9.940 0.138 0.197 {?} 27.973 1.041 1.487 24.794 3.544 0 0 2802 {?} 1.827 0.029 0.052 {?} 9.378 0.145 0.250 {?} 28.037 1.064 1.910 195.249 2.975 0 0 2803 {?} 0.803 0.047 0.058 {?} 9.351 0.170 0.212 {?} 27.896 0.925 1.251 41.330 3.071 0 0 2804 {?} 1.619 0.027 0.021 {?} 9.090 0.130 0.090 {?} 28.001 1.090 0.745 83.248 3.681 0 0 2805 {?} 1.912 0.036 0.026 {?} 8.579 0.141 0.108 {?} 28.296 1.020 0.782 12.485 1.744 0 0 2806 {?} 1.785 0.036 0.026 {?} 8.572 0.141 0.108 {?} 28.342 1.020 0.782 101.155 2.255 0 0 2807 {?} 2.221 0.036 0.026 {?} 8.526 0.141 0.108 {?} 27.919 1.020 0.782 139.543 6.614 0 0 2808 {?} 2.204 0.058 0.082 {?} 7.974 0.098 0.140 {?} 28.056 1.191 1.702 40.507 2.255 0 0 2809 {?} 2.016 0.047 0.078 {?} 7.965 0.079 0.108 {?} 28.154 1.121 1.720 42.964 2.337 0 0 2810 {?} 1.811 0.041 0.069 {?} 7.961 0.150 0.240 {?} 28.330 0.955 1.710 452.920 2.237 0 0 2811 {?} 1.640 0.046 0.079 {?} 7.967 0.171 0.296 {?} 28.266 1.020 2.029 311.484 6.990 0 0 2812 {?} 2.141 0.024 0.022 {?} 7.835 0.125 0.111 {?} 28.232 0.824 0.742 71.153 5.750 0 0 2813 {?} 0.805 0.016 0.002 {?} 7.590 0.143 0.016 {?} 27.954 0.527 0.055 74.190 5.380 0 0 2814 {?} 0.801 0.025 0.089 {?} 7.398 0.200 0.263 {?} 27.932 1.010 1.495 144.260 2.154 0 0 2815 {?} 2.215 0.058 0.152 {?} 7.380 0.091 0.207 {?} 28.096 0.873 1.960 169.275 2.250 0 0 2816 {?} 1.909 0.058 0.152 {?} 7.374 0.091 0.207 {?} 28.154 0.873 1.960 174.329 2.103 0 0 2817 {?} 1.843 0.058 0.152 {?} 7.173 0.091 0.207 {?} 27.898 0.873 1.960 146.960 2.561 0 0 2818 {?} 0.801 0.021 0.017 {?} 7.196 0.082 0.068 {?} 27.873 0.897 0.749 271.613 4.692 0 0 2819 {?} 3.588 0.008 0.006 {?} 7.135 0.093 0.033 {?} 28.082 0.296 0.233 56.600 1.906 0 0 2820 {?} 2.287 0.031 0.014 {?} 7.161 0.099 0.020 {?} 28.196 0.720 0.150 99.411 1.664 0 0 2821 {?} 2.145 0.057 0.122 {?} 7.014 0.128 0.266 {?} 28.218 0.852 1.946 49.604 1.970 0 0 2822 {?} 2.393 0.016 0.002 {?} 6.993 0.095 0.013 {?} 28.074 0.864 0.116 67.150 1.929 0 0 2823 {?} 2.232 0.031 0.020 {?} 7.003 0.129 0.058 {?} 28.197 0.968 0.443 107.908 2.021 0 0 2824 {23.HB2} 3.189 0.049 0.077 {23.HD2} 6.710 0.127 0.178 {23.CB} 27.936 0.990 1.553 26.385 4.291 0 0 2825 {23.HB3} 3.018 0.021 0.014 {23.HD2} 6.690 0.096 0.053 {23.CB} 28.042 0.729 0.398 26.000 5.572 0 0 2826 {?} 0.802 0.021 0.014 {?} 6.584 0.096 0.053 {?} 27.915 0.729 0.398 84.562 5.572 0 0 2827 {?} 0.802 0.037 0.035 {?} 5.473 0.115 0.105 {?} 28.017 1.193 1.097 98.553 9.257 0 0 2828 {158.HG12} 1.622 0.028 0.027 {158.HA} 5.168 0.100 0.076 {158.CG1} 27.992 1.174 0.893 580.943 8.333 0 0 2829 {158.HG13} 0.995 0.037 0.052 {158.HA} 5.168 0.114 0.188 {158.CG1} 27.999 1.235 1.913 433.034 4.604 0 0 2830 {23.HB2} 3.186 0.037 0.052 {23.HA} 4.999 0.114 0.188 {23.CB} 27.997 1.235 1.913 120.738 4.604 0 0 2831 {23.HB3} 3.037 0.019 0.060 {23.HA} 4.983 0.124 0.197 {23.CB} 28.012 1.102 1.908 158.486 2.612 0 0 2832 {86.HB2} 2.382 0.038 0.067 {85.HA} 4.844 0.098 0.179 {86.CB} 28.160 1.217 1.990 25.394 18.707 0 0 2833 {24.HG3} 2.295 0.052 0.088 {24.HA} 4.854 0.095 0.181 {24.CG} 28.210 1.044 1.910 164.595 2.362 0 0 2834 {24.HG3} 2.219 0.056 0.081 {24.HA} 4.840 0.117 0.168 {24.CG} 28.150 1.056 1.681 466.195 4.580 0 0 2835 {24.HG2} 2.135 0.056 0.081 {24.HA} 4.858 0.117 0.168 {24.CG} 28.232 1.056 1.681 295.914 4.580 0 0 2836 {?} 1.891 0.033 0.008 {?} 4.848 0.102 0.035 {?} 28.172 0.750 0.255 38.409 1.596 0 0 2837 {158.HG13} 0.990 0.039 0.053 {157.HA} 4.681 0.143 0.203 {158.CG1} 28.019 0.924 1.389 25.963 3.891 0 0 2838 {?} 3.595 0.012 0.005 {?} 4.603 0.127 0.010 {?} 28.205 0.756 0.176 101.346 2.178 0 0 2839 {25.HG3} 2.206 0.055 0.060 {25.HA} 4.464 0.102 0.110 {25.CG} 28.093 1.099 1.193 251.873 2.190 0 0 2840 {97.HG2} 1.899 0.028 0.008 {96.HB} 4.466 0.071 0.015 {97.CG} 28.201 0.935 0.200 360.046 8.772 0 0 2841 {?} 2.384 0.055 0.081 {?} 4.284 0.166 0.206 {?} 28.199 0.939 1.186 219.063 7.772 0 0 2842 {87.HB2} 2.145 0.049 0.057 {87.HA} 4.254 0.110 0.123 {87.CB} 28.253 1.184 1.360 419.311 4.453 0 0 2843 {86.HB3} 2.309 0.049 0.057 {86.HA} 4.144 0.110 0.123 {86.CB} 28.204 1.184 1.360 187.396 4.453 0 0 2844 {86.HB3} 2.223 0.037 0.052 {86.HA} 4.142 0.119 0.204 {86.CB} 28.138 0.994 1.866 1447.249 3.517 0 0 2845 {111.HB3} 1.804 0.037 0.052 {111.HA} 4.128 0.115 0.191 {111.CB} 28.268 1.024 1.843 2071.310 3.074 0 0 2846 {?} 2.382 0.050 0.071 {?} 4.028 0.097 0.120 {?} 28.098 1.138 1.461 593.331 3.268 0 0 2847 {?} 0.802 0.022 0.029 {?} 4.028 0.087 0.056 {?} 27.914 0.938 0.608 185.142 2.713 0 0 2848 {23.HB2} 3.196 0.058 0.120 {24.HD3} 3.922 0.092 0.120 {23.CB} 27.966 1.259 1.647 119.334 3.358 0 0 2849 {23.HB3} 3.009 0.040 0.094 {24.HD3} 3.916 0.109 0.234 {23.CB} 28.013 1.052 2.105 37.212 3.841 0 0 2850 {24.HG3 25.HG3} 2.214 0.050 0.090 {24.HD3 25.HD3} 3.919 0.110 0.208 {24.CG 25.CG} 28.173 1.071 2.103 322.326 2.635 0 0 2851 {?} 0.797 0.038 0.057 {?} 3.799 0.139 0.167 {?} 27.996 1.403 1.774 561.644 2.896 0 0 2852 {23.HB3} 3.019 0.029 0.008 {24.HD2} 3.725 0.094 0.013 {23.CB} 27.986 0.688 0.206 46.358 2.593 0 0 2853 {24.HG3 25.HG3 97.HG3} 2.213 0.044 0.063 {24.HD2 25.HD2 97.HD2} 3.736 0.160 0.242 {24.CG 25.CG 97.CG} 28.175 0.980 1.796 310.461 137.270 0 0 2854 {23.HB2} 3.192 0.047 0.028 {24.HD2} 3.715 0.120 0.105 {23.CB} 28.053 1.133 0.991 110.714 20.581 0 0 2855 {?} 3.604 0.047 0.028 {?} 3.599 0.120 0.105 {?} 28.151 1.133 0.991 72.746 20.581 0 0 2856 {?} 2.767 0.026 0.037 {?} 3.609 0.125 0.141 {?} 28.213 1.572 1.726 210.955 8.846 0 0 2857 {?} 2.384 0.016 0.026 {?} 3.568 0.104 0.055 {?} 28.110 1.093 0.581 450.679 9.049 0 0 2858 {?} 1.915 0.041 0.009 {?} 3.428 0.150 0.024 {?} 28.287 1.197 0.205 740.683 152.484 0 0 2859 {?} 0.803 0.041 0.009 {?} 3.363 0.150 0.024 {?} 27.909 1.197 0.205 340.571 152.484 0 0 2860 {?} 1.916 0.041 0.009 {?} 3.260 0.150 0.024 {?} 28.377 1.197 0.205 458.840 152.484 0 0 2861 {23.HB2} 3.205 0.041 0.009 {23.HB2} 3.204 0.150 0.024 {23.CB} 27.984 1.197 0.205 150.644 152.484 0 0 2862 {23.HB3} 3.023 0.041 0.009 {23.HB2} 3.197 0.150 0.024 {23.CB} 28.039 1.197 0.205 156.649 152.484 0 0 2863 {?} 2.227 0.041 0.009 {?} 3.204 0.150 0.024 {?} 28.231 1.197 0.205 310.870 152.484 0 0 2864 {24.HG2} 2.103 0.023 0.003 {23.HB2} 3.168 0.150 0.025 {24.CG} 28.190 0.647 0.160 261.446 103.421 0 0 2865 {23.HB2} 3.197 0.023 0.003 {23.HB3} 3.019 0.150 0.025 {23.CB} 27.970 0.647 0.160 377.480 103.421 0 0 2866 {23.HB3} 3.031 0.013 0.006 {23.HB3} 3.007 0.109 0.032 {23.CB} 27.950 1.204 0.351 300.646 8.870 0 0 2867 {?} 2.227 0.037 0.038 {?} 2.857 0.072 0.074 {?} 28.090 1.029 1.053 776.995 29.125 0 0 2868 {?} 3.589 0.037 0.038 {?} 2.780 0.072 0.074 {?} 28.305 1.029 1.053 111.143 29.125 0 0 2869 {87.HB2} 2.144 0.028 0.001 {87.HG3} 2.503 0.080 0.004 {87.CB} 28.279 0.991 0.027 1450.474 9.416 0 0 2870 {?} 2.526 0.030 0.055 {?} 2.264 0.141 0.246 {?} 28.127 1.378 1.968 387.989 1.964 0 0 2871 {86.HB2} 2.382 0.040 0.262 {86.HB3} 2.265 0.112 0.202 {86.CB} 28.109 1.081 1.545 2063.555 15.386 0 0 2872 {86.HB3 131.HB2} 2.310 0.033 0.062 {86.HB3 131.HB2} 2.271 0.112 0.224 {86.CB 131.CB} 28.287 1.181 2.363 5677.473 11.596 0 0 2873 {24.HG3 25.HG3 86.HB3 97.HG3 131.HB2} 2.220 0.033 0.062 {24.HG3 25.HG3 86.HB3 97.HG3 131.HB2} 2.235 0.112 0.224 {24.CG 25.CG 86.CB 97.CG 131.CB} 28.155 1.181 2.363 600.049 11.596 0 0 2874 {97.HG2} 1.902 0.033 0.062 {97.HG3} 2.211 0.112 0.224 {97.CG} 28.217 1.181 2.363 1156.936 11.596 0 0 2875 {30.HB3 87.HB2} 2.143 0.051 0.091 {30.HB3 87.HB2} 2.156 0.122 0.175 {30.CB 87.CB} 28.251 0.980 1.400 1413.069 10.200 0 0 2876 {24.HG3 97.HG3} 2.213 0.051 0.091 {24.HB2 97.HG2} 1.946 0.122 0.175 {24.CG 97.CG} 28.161 0.980 1.400 684.424 7.649 0 0 2877 {97.HG2} 1.905 0.051 0.091 {97.HG2} 1.937 0.122 0.175 {97.CG} 28.231 0.980 1.400 453.100 31.670 0 0 2878 {158.HG13} 1.018 0.032 0.059 {158.HB} 1.825 0.121 0.199 {158.CG1} 28.285 0.951 1.900 303.790 11.584 0 0 2879 {93.HD11 93.HD12 93.HD13} 0.800 0.036 0.048 {93.HB2 93.HB2 93.HB2} 1.855 0.124 0.172 {93.CD1 93.CD1 93.CD1} 27.873 0.914 1.434 310.027 31.580 0 0 2880 {?} 2.383 0.040 0.096 {?} 1.700 0.112 0.208 {?} 28.021 0.473 2.116 10.165 4.060 0 0 2881 {25.HG3} 2.206 0.048 0.131 {25.HB2} 1.738 0.075 0.237 {25.CG} 28.003 0.980 2.199 174.152 11.069 0 0 2882 {158.HG13} 0.993 0.037 0.140 {158.HG12} 1.625 0.106 0.212 {158.CG1} 28.045 0.483 2.233 393.215 3.750 0 0 2883 {?} 0.842 0.037 0.140 {?} 1.636 0.106 0.212 {?} 28.042 0.483 2.233 82.645 3.750 0 0 2884 {93.HD11 93.HD12 93.HD13 93.HD11 93.HD12 93.HD13} 0.801 0.067 0.094 {89.HB2 89.HB2 89.HB2 89.HB3 89.HB3 89.HB3} 1.491 0.127 0.176 {93.CD1 93.CD1 93.CD1 93.CD1 93.CD1 93.CD1} 27.881 1.296 1.808 92.554 2.229 0 0 2885 {111.HB2} 2.023 0.050 0.121 {111.HG3} 1.267 0.144 0.248 {111.CB} 28.224 1.144 1.635 96.067 3.750 0 0 2886 {111.HD2} 1.642 0.047 0.067 {111.HG3} 1.260 0.099 0.141 {111.CD} 28.258 0.584 2.350 1164.398 2.430 0 0 2887 {?} 2.281 0.047 0.067 {?} 1.253 0.099 0.141 {?} 28.350 0.584 2.350 489.145 2.757 0 0 2888 {?} 2.229 0.047 0.067 {?} 1.217 0.099 0.141 {?} 28.232 0.584 2.350 216.762 1.712 0 0 2889 {?} 0.800 0.047 0.067 {?} 1.235 0.099 0.141 {?} 27.865 0.584 2.350 500.421 1.712 0 0 2890 {23.HB2} 3.197 0.058 0.082 {21.HD11} 1.119 0.126 0.181 {23.CB} 28.101 1.081 1.544 53.370 3.079 0 0 2891 {?} 2.216 0.058 0.082 {?} 1.004 0.126 0.181 {?} 28.177 1.081 1.544 29.502 3.079 0 0 2892 {158.HG13} 0.993 0.058 0.082 {158.HG13} 1.003 0.126 0.181 {158.CG1} 27.974 1.081 1.544 721.192 3.198 0 0 2893 {?} 1.812 0.058 0.082 {?} 0.921 0.126 0.181 {?} 28.340 1.081 1.544 5489.016 2.353 0 0 2894 {?} 2.230 0.058 0.082 {?} 0.805 0.126 0.181 {?} 28.164 1.081 1.544 139.223 2.306 0 0 2895 {93.HD11 93.HD12 93.HD13} 0.800 0.019 0.018 {93.HD11 93.HD12 93.HD13} 0.813 0.271 0.237 {93.CD1 93.CD1 93.CD1} 27.879 0.899 0.822 4450.121 13.537 0 0 2896 {?} 0.801 0.019 0.021 {?} 0.532 0.098 0.111 {?} 27.874 1.384 1.534 427.155 4.324 0 0 2897 {47.HG 47.HG} 1.804 0.016 0.020 {49.HD23 67.HG22} 0.457 0.090 0.039 {47.CG 47.CG} 28.371 0.922 0.401 22.213 3.944 0 0 2898 {23.HB3 23.HB3 23.HB3} 3.015 0.059 0.107 {35.HD11 35.HD12 35.HD13} 0.348 0.103 0.202 {23.CB 23.CB 23.CB} 28.050 0.932 2.106 10.859 3.217 0 0 2899 {?} 2.296 0.020 0.003 {?} 0.269 0.066 0.010 {?} 28.143 0.627 0.096 13.912 3.531 0 0 2900 {?} 1.795 0.043 0.082 {?} 0.260 0.128 0.217 {?} 28.131 1.257 1.793 10.933 6.576 0 0 2901 {?} 1.691 0.040 0.062 {?} 9.950 0.140 0.227 {?} 27.516 1.211 1.686 182.180 6.294 0 0 2902 {?} 0.654 0.037 0.026 {?} 9.481 0.086 0.165 {?} 27.653 1.063 0.809 81.535 3.962 0 0 2903 {?} 1.718 0.058 0.086 {?} 9.371 0.107 0.165 {?} 27.810 0.904 1.382 134.335 2.113 0 0 2904 {?} 1.592 0.051 0.022 {?} 9.372 0.101 0.058 {?} 27.573 0.773 0.441 212.742 5.997 0 0 2905 {?} 1.231 0.051 0.062 {?} 9.358 0.109 0.145 {?} 27.624 0.972 1.234 104.940 3.229 0 0 2906 {?} 1.739 0.045 0.052 {?} 9.111 0.095 0.113 {?} 27.673 0.976 1.171 76.934 2.208 0 0 2907 {?} 1.000 0.053 0.091 {?} 9.095 0.096 0.167 {?} 27.794 0.921 1.505 66.169 4.251 0 0 2908 {?} 0.842 0.058 0.101 {?} 9.089 0.166 0.224 {?} 27.850 1.148 1.640 44.285 2.072 0 0 2909 {121.HG} 1.595 0.062 0.062 {62.H} 8.889 0.069 0.151 {121.CG} 27.646 1.040 1.038 155.085 8.974 0 0 2910 {?} 1.408 0.038 0.034 {?} 8.703 0.093 0.191 {?} 27.622 0.890 0.803 145.763 6.907 0 0 2911 {?} 0.653 0.020 0.009 {?} 8.733 0.209 0.074 {?} 27.794 0.855 1.035 55.209 6.862 0 0 2912 {?} 1.716 0.053 0.069 {?} 8.596 0.124 0.189 {?} 27.791 0.877 1.369 173.003 7.966 0 0 2913 {?} 0.801 0.037 0.052 {?} 7.850 0.137 0.159 {?} 27.834 1.254 1.564 89.113 10.292 0 0 2914 {?} 0.653 0.058 0.066 {?} 7.474 0.143 0.181 {?} 27.726 1.028 1.274 34.855 4.441 0 0 2915 {?} 1.653 0.062 0.090 {?} 7.249 0.093 0.174 {?} 27.464 0.921 1.725 35.764 3.950 0 0 2916 {?} 1.625 0.036 0.032 {?} 7.085 0.216 0.191 {?} 27.468 1.245 1.076 85.468 4.262 0 0 2917 {21.HG} 1.715 0.036 0.032 {23.HD2} 6.704 0.216 0.191 {21.CG} 27.657 1.245 1.076 86.594 4.162 0 0 2918 {?} 0.798 0.036 0.018 {?} 6.111 0.097 0.042 {?} 27.760 0.970 0.425 130.752 17.559 0 0 2919 {?} 1.829 0.036 0.018 {?} 5.735 0.097 0.042 {?} 27.747 0.970 0.425 175.367 17.559 0 0 2920 {?} 0.651 0.020 0.041 {?} 5.545 0.106 0.096 {?} 27.808 0.804 0.726 59.638 2.761 0 0 2921 {59.HG12 121.HG} 1.599 0.056 0.056 {59.HA 61.HA} 5.277 0.102 0.102 {59.CG1 121.CG} 27.558 1.134 1.131 156.079 2.936 0 0 2922 {59.HG13} 1.224 0.036 0.032 {59.HA} 5.287 0.116 0.095 {59.CG1} 27.590 0.759 0.626 118.569 4.308 0 0 2923 {49.HD11 49.HD12 49.HD13} 0.656 0.056 0.052 {49.HA 49.HA 49.HA} 5.103 0.115 0.104 {49.CD1 49.CD1 49.CD1} 27.631 1.147 1.037 68.151 4.096 0 0 2924 {93.HD11 93.HD12 93.HD13} 0.800 0.019 0.017 {93.HA 93.HA 93.HA} 4.909 0.109 0.096 {93.CD1 93.CD1 93.CD1} 27.835 1.511 1.259 25.625 6.761 0 0 2925 {?} 1.712 0.025 0.015 {?} 4.839 0.120 0.071 {?} 27.554 1.234 0.728 18.203 6.031 0 0 2926 {?} 1.659 0.057 0.065 {?} 4.804 0.158 0.180 {?} 27.381 1.192 1.353 262.846 3.047 0 0 2927 {40.HG2} 1.885 0.057 0.065 {40.HA} 4.676 0.158 0.180 {40.CG} 27.341 1.192 1.353 159.458 3.047 0 0 2928 {28.HG2 28.HG3} 1.630 0.043 0.034 {28.HA 28.HA} 4.681 0.102 0.081 {28.CG 28.CG} 27.712 0.906 0.717 226.550 2.554 0 0 2929 {158.HG13} 1.013 0.043 0.034 {157.HA} 4.675 0.102 0.081 {158.CG1} 27.476 0.906 0.717 67.444 2.554 0 0 2930 {?} 0.658 0.046 0.071 {?} 4.686 0.140 0.212 {?} 27.611 0.972 1.589 63.722 168.876 0 0 2931 {49.HD12} 0.656 0.046 0.071 {81.HA} 4.361 0.140 0.212 {49.CD1} 27.561 0.972 1.589 62.923 168.876 0 0 2932 {?} 0.801 0.024 0.010 {?} 4.287 0.090 0.041 {?} 27.697 1.264 0.581 206.350 162.726 0 0 2933 {146.HB2} 1.720 0.024 0.010 {143.HA} 4.179 0.090 0.041 {146.CB} 27.662 1.264 0.581 442.861 162.726 0 0 2934 {112.HG2} 1.691 0.042 0.028 {112.HA} 4.182 0.088 0.047 {112.CG} 27.662 0.973 0.517 1721.924 14.998 0 0 2935 {?} 1.700 0.042 0.028 {?} 3.853 0.088 0.047 {?} 27.644 0.973 0.517 931.857 14.998 0 0 2936 {132.HG} 1.157 0.045 0.017 {132.HA} 3.584 0.119 0.058 {132.CG} 27.439 0.947 0.439 62.043 44.881 0 0 2937 {28.HG2 28.HG2} 1.722 0.015 0.024 {28.HD2 28.HD3} 3.289 0.133 0.080 {28.CG 28.CG} 27.394 1.228 0.707 1087.504 127.065 0 0 2938 {28.HG3} 1.655 0.035 0.012 {27.HB2} 3.294 0.159 0.076 {28.CG} 27.337 0.954 0.424 949.669 12.397 0 0 2939 {?} 1.408 0.026 0.037 {?} 3.034 0.173 0.206 {?} 27.662 1.339 1.578 373.617 16.338 0 0 2940 {?} 0.965 0.026 0.037 {?} 3.036 0.128 0.164 {?} 27.616 1.345 1.625 380.758 15.334 0 0 2941 {49.HD11 49.HD12 49.HD13} 0.652 0.026 0.037 {57.HB2 57.HB2 57.HB2} 3.004 0.128 0.164 {49.CD1 49.CD1 49.CD1} 27.666 1.345 1.625 86.063 15.334 0 0 2942 {93.HD11 93.HD12 93.HD13} 0.801 0.042 0.079 {89.HA 89.HA 89.HA} 2.799 0.105 0.169 {93.CD1 93.CD1 93.CD1} 27.823 1.025 1.691 210.246 13.772 0 0 2943 {49.HD11 49.HD12} 0.655 0.075 0.141 {57.HB3 57.HB3} 2.658 0.116 0.203 {49.CD1 49.CD1} 27.698 1.191 2.072 122.631 15.408 0 0 2944 {?} 7.049 0.075 0.141 {?} 2.553 0.116 0.203 {?} 27.550 1.191 2.072 28.010 21.748 0 0 2945 {145.HG 146.HB2} 1.727 0.075 0.141 {145.HB3 146.HG2} 2.526 0.116 0.203 {145.CG 146.CB} 27.571 1.191 2.072 845.054 21.748 0 0 2946 {?} 1.651 0.044 0.053 {?} 2.206 0.119 0.160 {?} 27.431 1.359 1.713 513.476 4.161 0 0 2947 {59.HG13} 1.226 0.044 0.053 {116.HB} 2.168 0.119 0.160 {59.CG1} 27.556 1.359 1.713 142.739 27.534 0 0 2948 {?} 2.049 0.063 0.066 {?} 2.067 0.113 0.121 {?} 27.366 1.317 1.399 4986.419 24.206 0 0 2949 {59.HG13} 1.238 0.053 0.062 {59.HB} 1.984 0.139 0.162 {59.CG1} 27.628 1.302 1.522 159.827 12.705 0 0 2950 {?} 3.294 0.053 0.062 {?} 1.713 0.139 0.162 {?} 27.416 1.302 1.522 31.424 12.705 0 0 2951 {132.HG} 1.133 0.041 0.042 {132.HB3} 1.730 0.135 0.136 {132.CG} 27.494 0.582 1.289 105.419 36.547 0 0 2952 {28.HG2 112.HG2 158.HG12} 1.643 0.056 0.123 {28.HG2 112.HG2 158.HG12} 1.669 0.187 0.267 {28.CG 112.CG 158.CG1} 27.499 1.009 1.760 763.950 3.214 0 0 2953 {132.HG} 1.170 0.056 0.123 {132.HB3} 1.664 0.128 0.284 {132.CG} 27.464 1.264 2.021 708.380 7.714 0 0 2954 {?} 1.229 0.038 0.030 {?} 1.601 0.131 0.096 {?} 27.699 1.052 0.757 106.553 6.648 0 0 2955 {49.HD13} 0.655 0.056 0.135 {47.HB2} 1.516 0.102 0.320 {49.CD1} 27.699 1.293 2.028 838.433 39.551 0 0 2956 {?} 1.594 0.056 0.135 {?} 1.243 0.102 0.320 {?} 27.593 1.293 2.028 759.202 39.551 0 0 2957 {?} 0.655 0.056 0.135 {?} 1.238 0.102 0.320 {?} 27.688 1.293 2.028 69.301 39.551 0 0 2958 {21.HG 21.HG 21.HG} 1.715 0.056 0.135 {21.HD11 21.HD12 21.HD13} 1.104 0.102 0.320 {21.CG 21.CG 21.CG} 27.666 1.293 2.028 730.556 39.551 0 0 2959 {?} 1.409 0.056 0.135 {?} 0.982 0.102 0.320 {?} 27.644 1.293 2.028 99.029 6.690 0 0 2960 {121.HG 121.HG 121.HG 158.HG12 158.HG12 158.HG12} 1.623 0.056 0.135 {121.HD11 121.HD12 121.HD13 158.HD11 158.HD12 158.HD13} 0.868 0.102 0.320 {121.CG 121.CG 121.CG 158.CG1 158.CG1 158.CG1} 27.743 1.293 2.028 4489.545 6.690 0 0 2961 {114.HG2 59.HG13} 1.167 0.057 0.224 {116.HG21 116.HG22} 0.862 0.188 0.268 {114.CG 59.CG1} 27.432 1.457 2.081 82.063 11.551 0 0 2962 {59.HG13 59.HG13 59.HG13 59.HG13} 1.229 0.057 0.224 {59.HG22 59.HD11 59.HD12 59.HD13} 0.806 0.188 0.268 {59.CG1 59.CG1 59.CG1 59.CG1} 27.601 1.457 2.081 259.118 6.104 0 0 2963 {49.HD11 49.HD12 49.HD13} 0.654 0.032 0.028 {49.HD11 49.HD12 49.HD13} 0.671 0.207 0.136 {49.CD1 49.CD1 49.CD1} 27.736 1.037 0.611 2146.196 5.816 0 0 2964 {114.HG2 114.HG3 132.HG 132.HG 132.HG} 1.161 0.050 0.124 {114.HB3 114.HB3 132.HD11 132.HD12 132.HD13} 0.605 0.059 0.237 {114.CG 114.CG 132.CG 132.CG 132.CG} 27.326 1.102 1.574 659.570 5.754 0 0 2965 {49.HD12 49.HD11 49.HD12 49.HD13} 0.655 0.050 0.124 {49.HD21 49.HD22 49.HD23 49.HD23} 0.449 0.059 0.237 {49.CD1 49.CD1 49.CD1 49.CD1} 27.707 1.102 1.574 966.215 5.754 0 0 2966 {?} 1.157 0.050 0.124 {?} 0.264 0.059 0.237 {?} 27.443 1.102 1.574 178.930 5.754 0 0 2967 {?} 1.508 0.050 0.124 {?} 9.489 0.059 0.237 {?} 27.074 1.102 1.574 66.753 2.014 0 0 2968 {?} 0.910 0.050 0.124 {?} 9.364 0.059 0.237 {?} 27.050 1.102 1.574 42.509 4.519 0 0 2969 {?} 1.237 0.049 0.137 {?} 8.888 0.065 0.236 {?} 27.191 1.023 1.461 14.369 2.461 0 0 2970 {?} 1.156 0.013 0.045 {?} 8.877 0.139 0.190 {?} 27.010 0.882 1.158 18.019 2.435 0 0 2971 {?} 1.625 0.041 0.049 {?} 8.687 0.117 0.165 {?} 27.288 1.593 1.989 27.808 2.182 0 0 2972 {?} 2.169 0.072 0.113 {?} 8.519 0.110 0.196 {?} 27.309 1.006 1.519 28.448 2.875 0 0 2973 {?} 2.015 0.048 0.065 {?} 8.505 0.103 0.156 {?} 27.168 1.070 1.737 33.009 2.300 0 0 2974 {?} 1.237 0.058 0.071 {?} 8.273 0.093 0.126 {?} 27.075 0.844 1.125 67.125 1.590 0 0 2975 {?} 1.746 0.037 0.052 {?} 7.897 0.163 0.191 {?} 26.888 1.168 1.498 62.708 2.620 0 0 2976 {90.HG} 1.584 0.054 0.060 {89.H} 7.812 0.123 0.138 {90.CG} 26.947 0.958 1.068 222.516 2.554 0 0 2977 {?} 1.243 0.043 0.044 {?} 7.750 0.154 0.164 {?} 26.939 0.973 1.018 137.862 1.986 0 0 2978 {?} 1.163 0.043 0.068 {?} 7.745 0.101 0.138 {?} 27.134 0.900 1.155 245.365 1.991 0 0 2979 {?} 1.521 0.063 0.042 {?} 7.572 0.117 0.090 {?} 27.134 1.329 1.050 315.127 2.014 0 0 2980 {?} 1.592 0.024 0.025 {?} 7.406 0.081 0.029 {?} 27.035 0.979 0.354 293.375 8.674 0 0 2981 {132.HG} 1.164 0.051 0.027 {107.HD22} 7.297 0.088 0.060 {132.CG} 27.230 1.183 0.804 76.979 5.906 0 0 2982 {?} 1.625 0.054 0.101 {?} 7.268 0.119 0.183 {?} 27.240 0.915 1.660 235.977 3.656 0 0 2983 {?} 1.161 0.019 0.007 {?} 7.013 0.119 0.038 {?} 27.038 1.208 0.389 296.728 3.719 0 0 2984 {58.HD21 58.HD22 58.HD23} 0.910 0.019 0.007 {115.HA 115.HA 115.HA} 5.944 0.119 0.038 {58.CD2 58.CD2 58.CD2} 27.024 1.208 0.389 12.164 4.803 0 0 2985 {58.HD21 58.HD22 58.HD23} 0.914 0.043 0.038 {58.HA 58.HA 58.HA} 5.743 0.134 0.121 {58.CD2 58.CD2 58.CD2} 27.002 0.915 0.813 65.855 1.843 0 0 2986 {40.HG3} 2.040 0.015 0.004 {39.HA} 5.112 0.148 0.040 {40.CG} 27.184 1.185 0.320 132.991 2.256 0 0 2987 {40.HG2} 1.883 0.022 0.007 {39.HA} 5.099 0.158 0.035 {40.CG} 27.187 0.808 0.178 45.707 215.004 0 0 2988 {40.HG3} 2.041 0.029 0.036 {40.HA} 4.675 0.112 0.135 {40.CG} 27.180 1.033 1.189 203.874 22.080 0 0 2989 {114.HG2 114.HG3} 1.162 0.058 0.131 {114.HA 114.HA} 4.293 0.121 0.236 {114.CG 114.CG} 27.024 0.954 2.207 326.758 7.382 0 0 2990 {90.HG} 1.584 0.075 0.114 {90.HA} 4.073 0.116 0.229 {90.CG} 26.934 1.225 2.044 194.621 6.826 0 0 2991 {105.HG} 1.518 0.056 0.313 {105.HA} 4.002 0.131 0.261 {105.CG} 27.022 1.003 1.434 345.377 1.727 0 0 2992 {?} 0.848 0.056 0.313 {?} 4.013 0.131 0.261 {?} 27.011 1.003 1.434 429.618 48.486 0 0 2993 {?} 1.655 0.025 0.025 {?} 3.852 0.076 0.157 {?} 27.213 0.393 0.851 828.604 2.020 0 0 2994 {?} 1.162 0.054 0.173 {?} 3.872 0.112 0.160 {?} 27.126 0.971 1.387 26.583 1.992 0 0 2995 {?} 0.912 0.054 0.173 {?} 3.847 0.112 0.160 {?} 27.006 0.971 1.387 1120.824 9.150 0 0 2996 {40.HG3} 2.039 0.054 0.173 {40.HD3} 3.794 0.112 0.160 {40.CG} 27.227 0.971 1.387 917.021 3.008 0 0 2997 {40.HG2} 1.885 0.054 0.318 {40.HD3} 3.795 0.101 0.144 {40.CG} 27.233 0.959 1.370 1286.974 4.259 0 0 2998 {?} 1.237 0.048 0.120 {?} 2.714 0.117 0.191 {?} 27.024 0.994 2.336 146.192 16.185 0 0 2999 {?} 1.160 0.048 0.120 {?} 2.713 0.117 0.191 {?} 27.017 0.994 2.336 244.472 16.185 0 0 3000 {40.HG3} 2.040 0.064 0.074 {40.HB2} 2.443 0.111 0.142 {40.CG} 27.216 1.077 1.392 549.866 10.929 0 0 3001 {40.HG2} 1.884 0.064 0.074 {40.HB2} 2.449 0.111 0.142 {40.CG} 27.212 1.077 1.392 582.814 10.929 0 0 3002 {?} 1.240 0.047 0.042 {?} 2.313 0.092 0.088 {?} 27.070 1.295 1.212 206.262 2.185 0 0 3003 {132.HG} 1.162 0.038 0.076 {132.HB2} 2.299 0.091 0.125 {132.CG} 27.191 0.859 1.163 534.582 7.311 0 0 3004 {58.HD21 58.HD22 58.HD23} 0.912 0.027 0.018 {58.HB2 58.HB2 58.HB2} 2.158 0.095 0.063 {58.CD2 58.CD2 58.CD2} 26.982 0.791 0.520 28.224 7.335 0 0 3005 {33.HG 58.HG 145.HG} 1.738 0.051 0.047 {33.HG 58.HG 145.HG} 1.758 0.083 0.077 {33.CG 58.CG 145.CG} 27.124 0.750 0.694 14228.128 3.191 0 0 3006 {59.HG12 105.HG} 1.510 0.064 0.102 {59.HG12 105.HG} 1.524 0.107 0.199 {59.CG1 105.CG} 27.172 0.917 1.570 6765.267 5.054 0 0 3007 {?} 1.285 0.050 0.089 {?} 1.305 0.112 0.160 {?} 27.111 1.092 2.200 1870.510 5.427 0 0 3008 {59.HG13 114.HG2} 1.166 0.050 0.089 {59.HG13 114.HG2} 1.220 0.112 0.160 {59.CG1 114.CG} 27.145 1.092 2.200 3829.990 1.955 0 0 3009 {33.HG} 1.747 0.026 0.037 {33.HD11} 0.919 0.138 0.170 {33.CG} 26.995 1.051 1.371 4130.008 2.036 0 0 3010 {?} 1.587 0.037 0.052 {?} 0.908 0.107 0.133 {?} 26.999 0.808 0.968 404.916 2.737 0 0 3011 {?} 1.651 0.054 0.027 {?} 0.588 0.081 0.116 {?} 27.125 0.748 0.911 386.584 3.868 0 0 3012 {114.HG2} 1.239 0.024 0.041 {114.HB3} 0.597 0.227 0.166 {114.CG} 27.177 0.869 0.529 1212.305 8.895 0 0 3013 {49.HG 49.HG 49.HG} 1.513 0.050 0.035 {49.HD21 49.HD22 49.HD23} 0.458 0.131 0.169 {49.CG 49.CG 49.CG} 27.126 1.513 0.748 718.621 9.595 0 0 3014 {105.HG 105.HG 105.HG} 1.525 0.011 0.019 {105.HD11 105.HD12 105.HD13} 0.293 0.219 0.180 {105.CG 105.CG 105.CG} 27.064 0.784 0.615 734.499 5.436 0 0 3015 {?} 0.911 0.045 0.040 {?} 0.289 0.159 0.133 {?} 27.034 1.233 0.969 1073.397 4.041 0 0 3016 {?} 1.058 0.041 0.041 {?} 9.360 0.104 0.104 {?} 26.333 0.690 0.692 364.223 2.857 0 0 3017 {?} 0.943 0.025 0.029 {?} 9.213 0.113 0.148 {?} 26.314 0.925 1.118 695.254 2.585 0 0 3018 {?} 1.415 0.056 0.087 {?} 9.152 0.126 0.183 {?} 26.342 1.339 1.929 237.820 1.865 0 0 3019 {?} 1.052 0.053 0.073 {?} 9.060 0.100 0.142 {?} 26.666 0.963 1.326 228.204 1.895 0 0 3020 {?} 0.944 0.037 0.052 {?} 8.991 0.094 0.141 {?} 26.333 0.811 1.123 237.961 9.649 0 0 3021 {?} 1.052 0.049 0.036 {?} 8.883 0.125 0.100 {?} 26.453 1.345 1.046 70.916 9.274 0 0 3022 {?} 1.769 0.026 0.037 {?} 8.723 0.166 0.130 {?} 26.606 1.763 1.443 150.909 3.959 0 0 3023 {?} 1.590 0.069 0.024 {?} 8.668 0.094 0.057 {?} 26.658 1.151 0.695 68.625 4.058 0 0 3024 {149.HD11 149.HD12} 0.944 0.043 0.112 {148.H 148.H} 8.690 0.125 0.180 {149.CD1 149.CD1} 26.304 1.010 2.072 206.337 8.302 0 0 3025 {?} 0.947 0.043 0.112 {?} 8.407 0.125 0.180 {?} 26.248 1.010 2.072 89.497 4.984 0 0 3026 {?} 2.313 0.049 0.098 {?} 8.345 0.115 0.205 {?} 26.460 1.491 2.334 93.454 6.782 0 0 3027 {149.HD12} 1.051 0.033 0.043 {150.H} 8.329 0.084 0.116 {149.CD1} 26.501 0.838 1.159 500.383 4.896 0 0 3028 {?} -0.123 0.042 0.060 {?} 7.923 0.092 0.153 {?} 26.582 0.782 1.158 123.367 12.352 0 0 3029 {149.HD11 149.HD12 149.HD13} 1.052 0.052 0.081 {115.HE2 115.HE2 115.HE2} 7.555 0.169 0.231 {149.CD1 149.CD1 149.CD1} 26.511 0.896 1.296 83.796 12.527 0 0 3030 {149.HG} 2.303 0.078 0.098 {115.HE2} 7.550 0.124 0.225 {149.CG} 26.477 1.272 1.845 20.332 4.501 0 0 3031 {?} 0.738 0.078 0.098 {?} 7.460 0.124 0.225 {?} 26.231 1.272 1.845 41.016 4.501 0 0 3032 {?} 1.851 0.026 0.037 {?} 7.408 0.175 0.232 {?} 26.347 0.903 1.171 67.463 4.272 0 0 3033 {?} -0.121 0.026 0.037 {?} 7.339 0.175 0.232 {?} 26.604 0.903 1.171 314.224 3.873 0 0 3034 {?} 2.308 0.026 0.037 {?} 7.172 0.175 0.232 {?} 26.470 0.903 1.171 127.900 3.873 0 0 3035 {?} 1.980 0.050 0.144 {?} 7.176 0.113 0.234 {?} 26.574 0.998 2.028 20.022 4.452 0 0 3036 {?} 1.050 0.050 0.144 {?} 7.189 0.113 0.234 {?} 26.593 0.998 2.028 63.026 316.429 0 0 3037 {?} -0.122 0.050 0.144 {?} 7.143 0.113 0.234 {?} 26.598 0.998 2.028 138.632 307.235 0 0 3038 {72.HG} 0.738 0.016 0.020 {71.H} 7.085 0.154 0.067 {72.CG} 26.263 1.264 0.569 149.053 10.983 0 0 3039 {?} -0.120 0.041 0.027 {?} 6.657 0.146 0.088 {?} 26.635 1.435 0.841 78.831 14.690 0 0 3040 {?} 1.062 0.048 0.118 {?} 5.438 0.118 0.226 {?} 26.354 0.925 1.865 106.340 453.713 0 0 3041 {56.HD11 56.HD12} 1.050 0.052 0.051 {56.HA 56.HA} 5.212 0.121 0.118 {56.CD1 56.CD1} 26.759 1.198 1.174 206.309 3.150 0 0 3042 {149.HG} 2.307 0.070 0.069 {155.HA} 5.009 0.048 0.101 {149.CG} 26.497 1.123 1.083 10.407 5.335 0 0 3043 {?} 1.982 0.028 0.043 {?} 5.005 0.177 0.211 {?} 26.535 1.204 1.424 86.881 3.494 0 0 3044 {?} 0.944 0.029 0.028 {?} 5.019 0.188 0.185 {?} 26.328 1.314 1.291 89.546 2.395 0 0 3045 {21.HD21 21.HD22 21.HD23} 1.056 0.029 0.028 {21.HA 21.HA 21.HA} 4.847 0.188 0.185 {21.CD2 21.CD2 21.CD2} 26.307 1.314 1.291 95.703 2.395 0 0 3046 {?} -0.745 0.029 0.015 {?} 4.782 0.183 0.069 {?} 26.510 1.115 0.310 105.559 2.022 0 0 3047 {?} 1.977 0.053 0.067 {?} 4.711 0.094 0.115 {?} 26.677 0.948 1.167 51.964 1.854 0 0 3048 {156.HG2} 2.298 0.042 0.127 {156.HA} 4.697 0.183 0.307 {156.CG} 26.465 0.869 2.219 187.311 6.062 0 0 3049 {?} 0.945 0.040 0.108 {?} 4.589 0.183 0.305 {?} 26.308 0.914 1.305 409.504 1.907 0 0 3050 {152.HD11 152.HD12 152.HD13} -0.122 0.061 0.052 {152.HA 152.HA 152.HA} 4.269 0.116 0.100 {152.CD1 152.CD1 152.CD1} 26.592 1.236 1.061 208.641 6.800 0 0 3051 {149.HG} 2.307 0.049 0.062 {156.HD3} 4.199 0.110 0.147 {149.CG} 26.511 1.082 1.538 204.666 6.220 0 0 3052 {?} 1.982 0.056 0.142 {?} 4.199 0.111 0.291 {?} 26.674 1.263 1.805 341.474 1.802 0 0 3053 {149.HD11 149.HD12 149.HD12 149.HD13} 1.052 0.056 0.142 {145.HA 145.HA 156.HD3 156.HD3} 4.187 0.111 0.291 {149.CD1 149.CD1 149.CD1 149.CD1} 26.492 1.263 1.805 598.754 2.798 0 0 3054 {?} 0.739 0.054 0.404 {?} 4.152 0.096 0.137 {?} 26.290 1.205 2.134 93.275 1.627 0 0 3055 {152.HD11 152.HD12 152.HD13} -0.122 0.043 0.112 {105.HA 105.HA 105.HA} 4.019 0.160 0.229 {152.CD1 152.CD1 152.CD1} 26.573 0.833 2.168 104.130 4.612 0 0 3056 {149.HG} 2.305 0.037 0.088 {156.HD2} 3.987 0.157 0.237 {149.CG} 26.536 0.843 2.339 58.007 2.023 0 0 3057 {?} 1.982 0.045 0.142 {?} 3.985 0.147 0.210 {?} 26.549 0.936 2.163 317.211 1.958 0 0 3058 {?} 1.051 0.024 0.049 {?} 3.872 0.059 0.118 {?} 26.561 0.883 0.817 677.049 2.772 0 0 3059 {?} 0.738 0.026 0.037 {?} 3.882 0.094 0.184 {?} 26.292 0.874 0.775 681.237 4.732 0 0 3060 {152.HD11 152.HD12 152.HD13} -0.122 0.026 0.037 {106.HA 106.HA 106.HA} 3.717 0.094 0.184 {152.CD1 152.CD1 152.CD1} 26.605 0.874 0.775 284.040 3.541 0 0 3061 {149.HD11 149.HD12} 1.054 0.026 0.020 {149.HA 149.HA} 3.661 0.187 0.267 {149.CD1 149.CD1} 26.389 1.918 1.381 456.706 3.717 0 0 3062 {?} 1.058 0.085 0.154 {?} 3.157 0.126 0.181 {?} 26.386 0.830 1.350 274.141 1.704 0 0 3063 {?} 1.051 0.057 0.088 {?} 2.836 0.111 0.274 {?} 26.629 1.148 1.669 444.869 1.833 0 0 3064 {?} 7.023 0.061 0.109 {?} 2.493 0.054 0.301 {?} 26.597 1.068 1.817 50.659 1.696 0 0 3065 {?} 6.897 0.067 0.053 {?} 2.477 0.197 0.161 {?} 26.412 0.328 0.581 1.298 2.185 0 0 3066 {149.HD11 149.HD13} 1.058 0.037 0.052 {145.HB3 145.HB3} 2.499 0.061 0.118 {149.CD1 149.CD1} 26.225 1.100 1.016 182.081 1.823 0 0 3067 {?} 1.983 0.037 0.052 {?} 2.314 0.190 0.304 {?} 26.588 0.786 1.412 298.713 3.480 0 0 3068 {56.HD11} 1.054 0.037 0.052 {56.HB3} 2.126 0.190 0.304 {56.CD1} 26.438 0.786 1.412 2620.971 3.480 0 0 3069 {?} 0.739 0.037 0.052 {?} 2.098 0.190 0.304 {?} 26.238 0.786 1.412 528.575 3.480 0 0 3070 {149.HG} 2.310 0.037 0.052 {149.HB2} 2.005 0.201 0.297 {149.CG} 26.536 0.856 1.628 706.076 1.971 0 0 3071 {149.HG} 2.313 0.034 0.036 {156.HB3} 1.815 0.046 0.111 {149.CG} 26.497 0.871 0.946 384.211 7.038 0 0 3072 {152.HD11 152.HD13} -0.121 0.024 0.052 {154.HB 154.HB} 1.843 0.133 0.272 {152.CD1 152.CD1} 26.619 0.440 1.805 33.277 6.702 0 0 3073 {?} 1.056 0.065 0.217 {?} 1.763 0.169 0.276 {?} 26.342 0.899 2.266 1108.210 6.963 0 0 3074 {?} 2.306 0.065 0.217 {?} 1.622 0.169 0.276 {?} 26.521 0.899 2.266 165.460 4.527 0 0 3075 {?} 0.738 0.065 0.217 {?} 1.606 0.169 0.276 {?} 26.276 0.899 2.266 225.876 4.947 0 0 3076 {152.HD11 152.HD12 152.HD13 152.HD11 152.HD12 152.HD13} -0.122 0.026 0.037 {105.HB2 105.HB2 105.HB2 152.HB2 152.HB2 152.HB2} 1.546 0.118 0.161 {152.CD1 152.CD1 152.CD1 152.CD1 152.CD1 152.CD1} 26.610 0.714 0.935 249.404 3.707 0 0 3077 {149.HD11 149.HD12 149.HD13} 1.058 0.021 0.045 {145.HB2 145.HB2 145.HB2} 1.525 0.190 0.194 {149.CD1 149.CD1 149.CD1} 26.274 1.743 1.792 785.660 5.292 0 0 3078 {?} 1.852 0.034 0.034 {?} 1.224 0.091 0.092 {?} 26.401 0.856 0.865 58.889 6.679 0 0 3079 {?} 2.309 0.028 0.029 {?} 1.054 0.126 0.130 {?} 26.495 1.011 1.040 289.903 1.730 0 0 3080 {?} 1.975 0.066 0.093 {?} 1.061 0.173 0.248 {?} 26.735 1.262 1.755 39.146 2.048 0 0 3081 {?} 1.057 0.066 0.093 {?} 1.073 0.173 0.248 {?} 26.335 1.262 1.755 7257.479 3.785 0 0 3082 {?} 1.974 0.066 0.093 {?} 0.861 0.173 0.248 {?} 26.651 1.262 1.755 209.117 3.785 0 0 3083 {?} 1.051 0.026 0.037 {?} 0.854 0.086 0.147 {?} 26.567 1.168 1.937 2728.387 2.039 0 0 3084 {152.HD11 152.HD13 152.HD11 152.HD11 152.HD13} -0.122 0.045 0.130 {154.HG21 154.HG21 154.HG22 154.HG23 154.HG23} 0.872 0.141 0.216 {152.CD1 152.CD1 152.CD1 152.CD1 152.CD1} 26.619 1.008 1.996 355.259 7.097 0 0 3085 {2.HG3 2.HG3 2.HG3} 1.428 0.045 0.130 {106.HG21 106.HG22 106.HG23} 0.741 0.141 0.216 {2.CG 2.CG 2.CG} 26.319 1.008 1.996 275.500 4.825 0 0 3086 {?} 1.052 0.045 0.130 {?} 0.610 0.141 0.216 {?} 26.482 1.008 1.996 406.555 2.272 0 0 3087 {?} 2.310 0.026 0.019 {?} 0.586 0.148 0.088 {?} 26.475 0.746 0.521 79.424 7.535 0 0 3088 {?} 1.765 0.026 0.019 {?} 0.408 0.148 0.088 {?} 26.513 0.746 0.521 199.518 7.535 0 0 3089 {?} 1.058 0.017 0.005 {?} 0.350 0.154 0.043 {?} 26.265 0.788 0.222 605.666 4.872 0 0 3090 {152.HD11 152.HD12 152.HD13} -0.122 0.017 0.005 {152.HD11 152.HD12 152.HD13} -0.104 0.154 0.043 {152.CD1 152.CD1 152.CD1} 26.612 0.788 0.222 2984.000 4.872 0 0 3091 {?} 0.739 0.057 0.088 {?} -0.426 0.093 0.175 {?} 26.316 0.996 1.782 204.332 5.294 0 0 3092 {?} 0.910 0.057 0.088 {?} 9.180 0.093 0.175 {?} 25.736 0.996 1.782 490.194 2.703 0 0 3093 {?} 1.517 0.057 0.088 {?} 8.942 0.093 0.175 {?} 26.087 0.996 1.782 90.466 9.898 0 0 3094 {?} 1.456 0.040 0.005 {?} 8.948 0.110 0.013 {?} 26.082 0.469 0.057 38.368 6.621 0 0 3095 {?} 1.411 0.030 0.019 {?} 8.962 0.088 0.034 {?} 26.199 1.046 0.408 193.212 9.167 0 0 3096 {?} 0.905 0.049 0.038 {?} 8.879 0.103 0.072 {?} 25.679 0.871 0.612 228.987 3.558 0 0 3097 {69.HD22} 0.641 0.029 0.014 {68.H} 8.730 0.086 0.043 {69.CD2} 25.696 0.925 0.456 80.351 4.313 0 0 3098 {67.HG12} 0.908 0.015 0.022 {67.H} 8.662 0.132 0.067 {67.CG1} 25.849 1.324 0.674 228.834 3.334 0 0 3099 {62.HD21} 0.908 0.018 0.027 {64.H} 8.241 0.071 0.057 {62.CD2} 25.838 1.217 1.009 182.046 4.068 0 0 3100 {?} 0.641 0.050 0.029 {?} 8.032 0.119 0.097 {?} 25.772 1.505 1.266 60.692 10.793 0 0 3101 {?} 0.726 0.016 0.020 {?} 7.854 0.113 0.028 {?} 25.973 1.792 0.359 63.538 1.889 0 0 3102 {?} 1.455 0.066 0.054 {?} 7.636 0.085 0.060 {?} 25.697 0.862 0.606 134.777 7.322 0 0 3103 {?} 0.909 0.055 0.038 {?} 7.069 0.083 0.042 {?} 25.871 0.888 0.446 1634.596 10.908 0 0 3104 {?} 0.738 0.043 0.012 {?} 6.874 0.142 0.046 {?} 26.170 0.760 0.264 57.161 115.608 0 0 3105 {?} -0.028 0.043 0.012 {?} 6.782 0.142 0.046 {?} 25.988 0.760 0.264 54.244 115.608 0 0 3106 {?} 1.059 0.050 0.071 {?} 6.705 0.095 0.165 {?} 26.169 1.157 1.791 111.257 13.634 0 0 3107 {?} 0.909 0.040 0.017 {?} 5.224 0.114 0.052 {?} 25.852 0.381 0.380 138.249 15.062 0 0 3108 {2.HG3} 1.447 0.048 0.081 {107.HA} 4.836 0.202 0.291 {2.CG} 25.760 0.925 1.667 286.048 2.262 0 0 3109 {2.HG3} 1.421 0.057 0.095 {107.HA} 4.827 0.148 0.208 {2.CG} 25.903 1.054 1.688 267.609 4.405 0 0 3110 {?} 1.766 0.043 0.061 {?} 4.508 0.076 0.103 {?} 25.681 0.843 1.150 147.468 105.609 0 0 3111 {81.HG 81.HG} 0.643 0.058 0.082 {73.HA 81.HA} 4.347 0.092 0.124 {81.CG 81.CG} 25.748 0.826 1.102 176.461 4.834 0 0 3112 {?} 0.909 0.058 0.082 {?} 4.125 0.092 0.124 {?} 25.803 0.826 1.102 849.490 4.834 0 0 3113 {67.HG13} -0.004 0.037 0.016 {67.HA} 4.002 0.094 0.043 {67.CG1} 25.787 1.005 0.462 78.393 13.271 0 0 3114 {?} -0.004 0.059 0.055 {?} 3.643 0.147 0.138 {?} 25.922 1.459 1.379 66.554 11.525 0 0 3115 {4.HG2 4.HG3} 1.113 0.033 0.044 {4.HA 4.HA} 3.389 0.189 0.204 {4.CG 4.CG} 25.957 1.326 1.432 293.787 13.967 0 0 3116 {7.HD21 7.HD22 7.HD23} -0.013 0.018 0.034 {4.HA 4.HA 4.HA} 3.356 0.165 0.144 {7.CD2 7.CD2 7.CD2} 25.896 0.791 0.683 88.926 6.632 0 0 3117 {?} 0.909 0.028 0.022 {?} 3.208 0.143 0.202 {?} 25.869 0.790 0.749 829.450 16.540 0 0 3118 {81.HG} 0.642 0.028 0.022 {51.HB3} 2.647 0.143 0.202 {81.CG} 25.821 0.790 0.749 137.275 16.540 0 0 3119 {81.HG} 0.642 0.067 0.123 {73.HB2} 2.500 0.116 0.228 {81.CG} 25.743 1.172 2.101 156.568 2.966 0 0 3120 {121.HD11 121.HD12 121.HD13} 0.909 0.067 0.123 {121.HB2 121.HB2 121.HB2} 2.365 0.116 0.228 {121.CD1 121.CD1 121.CD1} 25.824 1.172 2.101 987.373 2.966 0 0 3121 {?} 0.642 0.023 0.009 {?} 2.099 0.148 0.044 {?} 25.736 0.977 0.297 200.878 3.844 0 0 3122 {?} 1.951 0.023 0.009 {?} 1.966 0.148 0.044 {?} 26.085 0.977 0.297 1922.520 3.844 0 0 3123 {62.HD22 62.HD23} 0.945 0.023 0.009 {120.HB3 120.HB3} 1.599 0.148 0.044 {62.CD2 62.CD2} 26.159 0.977 0.297 2207.615 3.844 0 0 3124 {?} 0.107 0.028 0.018 {?} 1.593 0.120 0.072 {?} 25.876 0.871 0.521 90.314 2.957 0 0 3125 {?} -0.011 0.019 0.043 {?} 1.614 0.209 0.215 {?} 25.804 1.204 1.268 304.581 6.096 0 0 3126 {?} 0.107 0.019 0.043 {?} 0.998 0.209 0.215 {?} 25.914 1.204 1.268 414.037 6.096 0 0 3127 {67.HG13} -0.008 0.019 0.043 {47.HD21} 0.989 0.209 0.215 {67.CG1} 25.911 1.204 1.268 394.435 6.096 0 0 3128 {72.HG} 0.737 0.053 0.056 {72.HG} 0.745 0.126 0.181 {72.CG} 26.197 0.965 1.059 2095.697 3.689 0 0 3129 {?} 0.107 0.011 0.009 {?} 0.554 0.098 0.028 {?} 25.817 0.645 0.182 98.801 3.425 0 0 3130 {?} -0.007 0.011 0.009 {?} 0.560 0.098 0.028 {?} 25.799 0.645 0.182 185.207 3.425 0 0 3131 {81.HG 81.HG 81.HG} 0.643 0.011 0.009 {81.HD21 81.HD22 81.HD23} 0.411 0.098 0.028 {81.CG 81.CG 81.CG} 25.773 0.645 0.182 509.795 3.425 0 0 3132 {2.HG3} 1.422 0.011 0.009 {106.HD13} 0.348 0.098 0.028 {2.CG} 26.210 0.645 0.182 107.209 3.425 0 0 3133 {67.HG12 67.HG12 67.HG12} 0.960 0.040 0.043 {67.HD11 67.HD12 67.HD13} 0.113 0.077 0.184 {67.CG1 67.CG1 67.CG1} 25.885 0.873 0.981 721.206 14.867 0 0 3134 {?} 0.738 0.049 0.053 {?} 0.112 0.135 0.146 {?} 26.141 1.138 1.239 31.746 6.580 0 0 3135 {?} 0.106 0.064 0.080 {?} 0.114 0.096 0.152 {?} 25.930 1.192 1.686 44.429 2.023 0 0 3136 {7.HD21 7.HD22 7.HD23} -0.009 0.064 0.080 {7.HD21 7.HD22 7.HD23} 0.027 0.096 0.152 {7.CD2 7.CD2 7.CD2} 25.859 1.192 1.686 253.273 2.023 0 0 3137 {?} 0.907 0.064 0.080 {?} 9.766 0.096 0.152 {?} 25.356 1.192 1.686 22.087 2.023 0 0 3138 {?} 0.270 0.026 0.022 {?} 9.309 0.151 0.121 {?} 25.309 1.156 0.959 29.184 2.053 0 0 3139 {?} 0.555 0.037 0.052 {?} 9.144 0.100 0.144 {?} 25.395 0.847 1.164 9.658 2.570 0 0 3140 {?} 1.216 0.037 0.052 {?} 9.117 0.100 0.144 {?} 25.337 0.847 1.164 129.430 2.570 0 0 3141 {?} 0.553 0.037 0.052 {?} 8.966 0.100 0.144 {?} 25.411 0.847 1.164 65.935 2.570 0 0 3142 {?} 0.271 0.039 0.059 {?} 8.885 0.106 0.176 {?} 25.318 0.786 1.173 21.990 5.691 0 0 3143 {69.HD22} 0.682 0.043 0.079 {68.H} 8.731 0.113 0.168 {69.CD2} 25.573 0.877 1.218 12.473 4.906 0 0 3144 {145.HD11 145.HD12} 1.216 0.043 0.079 {147.H 147.H} 8.507 0.113 0.168 {145.CD1 145.CD1} 25.378 0.877 1.218 12.682 4.906 0 0 3145 {?} 1.771 0.036 0.056 {?} 8.304 0.104 0.179 {?} 25.556 0.518 1.616 25.454 1.841 0 0 3146 {?} 1.624 0.036 0.056 {?} 8.287 0.104 0.179 {?} 25.529 0.518 1.616 189.759 1.841 0 0 3147 {?} 1.555 0.077 0.122 {?} 8.284 0.104 0.158 {?} 25.477 1.299 1.788 171.307 1.780 0 0 3148 {?} 1.463 0.077 0.122 {?} 8.293 0.104 0.158 {?} 25.576 1.299 1.788 268.171 1.780 0 0 3149 {?} 0.684 0.077 0.122 {?} 8.295 0.104 0.158 {?} 25.442 1.299 1.788 70.653 1.780 0 0 3150 {36.HG3} 1.216 0.077 0.122 {34.H} 8.137 0.104 0.158 {36.CG} 25.410 1.299 1.788 54.280 1.780 0 0 3151 {?} -0.022 0.077 0.122 {?} 8.061 0.104 0.158 {?} 25.532 1.299 1.788 28.502 1.780 0 0 3152 {?} 0.551 0.077 0.122 {?} 8.041 0.104 0.158 {?} 25.410 1.299 1.788 285.682 1.780 0 0 3153 {?} 0.239 0.051 0.136 {?} 8.041 0.138 0.197 {?} 25.492 1.223 1.747 144.825 2.033 0 0 3154 {?} 0.941 0.051 0.136 {?} 7.895 0.138 0.197 {?} 25.174 1.223 1.747 425.107 2.199 0 0 3155 {33.HD11 33.HD12 33.HD13} 0.884 0.015 0.013 {33.H 33.H 33.H} 7.815 0.129 0.110 {33.CD1 33.CD1 33.CD1} 25.378 0.897 0.752 168.373 3.383 0 0 3156 {76.HG12} 0.555 0.071 0.088 {78.H} 7.758 0.158 0.257 {76.CG1} 25.299 1.314 2.114 28.094 4.624 0 0 3157 {?} 0.272 0.058 0.059 {?} 7.580 0.111 0.112 {?} 25.329 1.299 1.323 505.466 4.141 0 0 3158 {?} 1.175 0.042 0.056 {?} 7.518 0.213 0.253 {?} 25.483 1.174 1.393 314.265 1.584 0 0 3159 {36.HG3} 1.215 0.020 0.047 {36.H} 7.481 0.127 0.141 {36.CG} 25.360 1.055 1.125 262.253 3.220 0 0 3160 {121.HD11} 0.908 0.020 0.047 {124.H} 7.464 0.127 0.141 {121.CD1} 25.594 1.055 1.125 70.194 3.737 0 0 3161 {36.HG2 36.HG2} 0.643 0.020 0.047 {36.H 37.H} 7.472 0.127 0.141 {36.CG 36.CG} 25.526 1.055 1.125 413.845 3.737 0 0 3162 {?} 0.684 0.061 0.093 {?} 7.425 0.186 0.278 {?} 25.488 0.942 1.625 710.388 2.470 0 0 3163 {?} 0.271 0.041 0.047 {?} 7.358 0.129 0.150 {?} 25.326 0.969 1.128 92.134 3.762 0 0 3164 {?} 1.305 0.075 0.084 {?} 7.181 0.112 0.134 {?} 25.441 1.152 1.426 164.186 2.447 0 0 3165 {?} 1.495 0.047 0.067 {?} 7.143 0.125 0.193 {?} 25.483 0.797 1.403 210.980 3.824 0 0 3166 {?} 1.466 0.058 0.082 {?} 7.140 0.125 0.186 {?} 25.550 0.795 1.358 539.492 10.656 0 0 3167 {?} 1.370 0.058 0.082 {?} 7.142 0.125 0.186 {?} 25.436 0.795 1.358 61.049 3.090 0 0 3168 {105.HD12} 0.272 0.016 0.005 {115.HD1} 7.140 0.082 0.025 {105.CD1} 25.320 1.340 0.438 138.861 4.425 0 0 3169 {152.HG} 1.217 0.016 0.005 {152.H} 7.062 0.082 0.025 {152.CG} 25.377 1.340 0.438 256.989 4.425 0 0 3170 {?} 1.299 0.034 0.035 {?} 6.651 0.085 0.090 {?} 25.438 0.788 0.829 72.108 3.737 0 0 3171 {?} 0.885 0.026 0.037 {?} 6.580 0.087 0.089 {?} 25.404 1.288 1.315 62.647 3.184 0 0 3172 {?} 0.557 0.026 0.037 {?} 6.614 0.087 0.089 {?} 25.352 1.288 1.315 42.848 3.184 0 0 3173 {?} 0.239 0.043 0.047 {?} 6.612 0.107 0.120 {?} 25.505 0.724 0.811 283.523 3.203 0 0 3174 {?} 0.241 0.043 0.047 {?} 6.255 0.107 0.120 {?} 25.469 0.724 0.811 171.974 3.203 0 0 3175 {?} 1.214 0.037 0.052 {?} 6.211 0.120 0.146 {?} 25.344 0.698 1.761 56.192 2.113 0 0 3176 {?} 0.906 0.037 0.052 {?} 6.216 0.120 0.146 {?} 25.447 0.698 1.761 165.300 2.113 0 0 3177 {105.HD12 105.HD13} 0.271 0.026 0.037 {115.HA 115.HA} 5.944 0.117 0.067 {105.CD1 105.CD1} 25.336 1.408 0.809 52.154 14.065 0 0 3178 {?} 0.908 0.074 0.150 {?} 5.474 0.105 0.150 {?} 25.599 1.949 2.784 80.226 8.177 0 0 3179 {?} 1.214 0.051 0.102 {?} 5.230 0.063 0.301 {?} 25.397 0.407 2.219 12.734 15.045 0 0 3180 {?} 0.682 0.051 0.102 {?} 5.090 0.063 0.301 {?} 25.513 0.407 2.219 76.788 15.045 0 0 3181 {?} 0.905 0.051 0.102 {?} 4.909 0.063 0.301 {?} 25.486 0.407 2.219 354.987 15.045 0 0 3182 {?} 0.239 0.051 0.102 {?} 4.915 0.063 0.301 {?} 25.400 0.407 2.219 88.353 15.045 0 0 3183 {?} 0.687 0.023 0.026 {?} 4.650 0.171 0.100 {?} 25.453 0.966 0.473 148.773 41.028 0 0 3184 {19.HD3 71.HG3} 1.367 0.023 0.026 {19.HA 71.HA} 4.608 0.171 0.100 {19.CD 71.CG} 25.354 0.966 0.473 100.242 41.028 0 0 3185 {?} 0.237 0.023 0.026 {?} 4.575 0.171 0.100 {?} 25.433 0.966 0.473 126.142 41.028 0 0 3186 {2.HG2} 1.459 0.047 0.067 {2.HA} 4.503 0.137 0.196 {2.CG} 25.672 1.623 2.318 789.940 4.242 0 0 3187 {132.HD21} 0.555 0.047 0.067 {3.HA} 4.486 0.137 0.196 {132.CD2} 25.403 1.623 2.318 201.244 64.667 0 0 3188 {152.HG} 1.292 0.068 0.097 {152.HA} 4.280 0.048 0.202 {152.CG} 25.461 1.233 1.988 530.589 15.857 0 0 3189 {?} 1.802 0.047 0.067 {?} 4.251 0.151 0.227 {?} 25.556 0.775 1.642 307.313 8.124 0 0 3190 {70.HG3} 1.619 0.040 0.143 {70.HA} 4.254 0.165 0.235 {70.CG} 25.530 0.815 2.222 181.889 2.601 0 0 3191 {70.HG2 70.HG3} 1.559 0.037 0.052 {70.HA 70.HA} 4.255 0.140 0.200 {70.CG 70.CG} 25.523 0.451 1.417 166.602 3.039 0 0 3192 {?} 0.277 0.037 0.052 {?} 4.228 0.140 0.200 {?} 25.313 0.451 1.417 94.020 9.634 0 0 3193 {145.HD11 145.HD12 145.HD11 145.HD12 145.HD13} 1.217 0.047 0.067 {145.HA 145.HA 146.HA 146.HA 146.HA} 4.159 0.086 0.274 {145.CD1 145.CD1 145.CD1 145.CD1 145.CD1} 25.330 0.773 1.331 595.921 13.027 0 0 3194 {?} 0.942 0.047 0.067 {?} 4.064 0.086 0.274 {?} 25.144 0.773 1.331 2043.807 13.027 0 0 3195 {90.HD11 90.HD12 90.HD13} 0.885 0.047 0.067 {90.HA 90.HA 90.HA} 4.076 0.089 0.181 {90.CD1 90.CD1 90.CD1} 25.406 0.704 1.186 597.401 6.167 0 0 3196 {105.HD11 105.HD12 105.HD13} 0.271 0.063 0.072 {105.HA 105.HA 105.HA} 4.007 0.109 0.135 {105.CD1 105.CD1 105.CD1} 25.326 0.824 1.000 166.526 4.225 0 0 3197 {145.HD11} 1.217 0.065 0.094 {144.HA3} 3.848 0.116 0.165 {145.CD1} 25.308 0.866 2.722 26.462 6.718 0 0 3198 {69.HD21 69.HD22 69.HD23} 0.684 0.065 0.094 {69.HA 69.HA 69.HA} 3.840 0.116 0.165 {69.CD2 69.CD2 69.CD2} 25.503 0.866 2.722 254.980 2.859 0 0 3199 {?} 0.640 0.065 0.094 {?} 3.870 0.116 0.165 {?} 25.648 0.866 2.722 382.515 9.527 0 0 3200 {132.HD21 132.HD22} 0.554 0.065 0.094 {132.HA 132.HA} 3.578 0.116 0.165 {132.CD2 132.CD2} 25.383 0.866 2.722 300.318 9.527 0 0 3201 {?} 0.240 0.065 0.094 {?} 3.598 0.116 0.165 {?} 25.472 0.866 2.722 340.479 1.843 0 0 3202 {?} 1.463 0.065 0.094 {?} 3.439 0.116 0.165 {?} 25.589 0.866 2.722 246.166 1.965 0 0 3203 {4.HG2 4.HG3 36.HG3} 1.164 0.015 0.066 {4.HA 4.HA 36.HA} 3.404 0.098 0.181 {4.CG 4.CG 36.CG} 25.414 0.816 1.507 612.682 2.862 0 0 3204 {36.HG2} 0.635 0.047 0.067 {36.HA} 3.398 0.118 0.181 {36.CG} 25.426 0.797 1.558 394.760 2.186 0 0 3205 {?} 0.553 0.047 0.067 {?} 3.390 0.118 0.181 {?} 25.390 0.797 1.558 397.689 6.578 0 0 3206 {?} 0.242 0.017 0.011 {?} 3.347 0.089 0.056 {?} 25.482 1.043 0.663 174.563 1.819 0 0 3207 {145.HD11 145.HD12 145.HD13} 1.217 0.102 0.146 {146.HD2 146.HD2 146.HD2} 3.190 0.159 0.227 {145.CD1 145.CD1 145.CD1} 25.353 0.605 1.903 49.771 2.232 0 0 3208 {?} 1.618 0.072 0.162 {?} 3.102 0.115 0.205 {?} 25.526 1.001 1.896 53.843 3.307 0 0 3209 {?} 1.755 0.024 0.041 {?} 3.028 0.249 0.206 {?} 25.396 0.776 0.557 10.859 4.693 0 0 3210 {70.HG2} 1.459 0.024 0.041 {70.HE2} 3.025 0.249 0.206 {70.CG} 25.563 0.776 0.557 533.221 2.270 0 0 3211 {133.HG2} 1.366 0.010 0.021 {133.HE3} 3.036 0.163 0.346 {133.CG} 25.285 0.592 1.203 410.570 3.431 0 0 3212 {?} 0.686 0.010 0.021 {?} 3.048 0.163 0.346 {?} 25.420 0.592 1.203 10.696 2.033 0 0 3213 {105.HD11 105.HD12 105.HD13} 0.271 0.026 0.037 {115.HB2 115.HB2 115.HB2} 3.032 0.138 0.304 {105.CD1 105.CD1 105.CD1} 25.341 0.635 1.396 169.520 2.301 0 0 3214 {?} 0.553 0.026 0.037 {?} 2.970 0.138 0.304 {?} 25.417 0.635 1.396 68.038 3.870 0 0 3215 {36.HG3 36.HG3} 1.169 0.046 0.092 {36.HE2 36.HE3} 2.864 0.132 0.189 {36.CG 36.CG} 25.436 1.167 1.666 316.051 15.518 0 0 3216 {36.HG2 36.HG2} 0.636 0.071 0.172 {36.HE2 36.HE3} 2.869 0.147 0.242 {36.CG 36.CG} 25.497 1.712 2.445 151.046 4.593 0 0 3217 {105.HD12 105.HD13} 0.271 0.071 0.172 {115.HB3 115.HB3} 2.881 0.147 0.242 {105.CD1 105.CD1} 25.346 1.712 2.445 95.476 7.776 0 0 3218 {?} 0.906 0.071 0.172 {?} 2.758 0.147 0.242 {?} 25.378 1.712 2.445 201.723 4.428 0 0 3219 {?} 0.550 0.026 0.037 {?} 2.610 0.192 0.274 {?} 25.485 1.305 1.464 159.462 2.606 0 0 3220 {?} 0.237 0.056 0.114 {?} 2.591 0.141 0.202 {?} 25.482 0.965 1.934 142.425 21.723 0 0 3221 {145.HD11 145.HD12 145.HD13 145.HD11 145.HD12 145.HD13} 1.216 0.036 0.030 {145.HB3 145.HB3 145.HB3 146.HG2 146.HG2 146.HG2} 2.547 0.063 0.111 {145.CD1 145.CD1 145.CD1 145.CD1 145.CD1 145.CD1} 25.346 0.619 0.474 85.496 3.875 0 0 3222 {?} 1.219 0.047 0.067 {?} 2.326 0.129 0.202 {?} 25.338 0.707 1.050 112.406 6.835 0 0 3223 {105.HD11 105.HD13} 0.243 0.068 0.097 {149.HG 149.HG} 2.297 0.131 0.183 {105.CD1 105.CD1} 25.443 0.763 1.110 209.030 8.426 0 0 3224 {132.HD21 132.HD22} 0.553 0.060 0.127 {132.HB2 132.HB2} 2.282 0.111 0.158 {132.CD2 132.CD2} 25.392 0.948 2.978 376.970 4.368 0 0 3225 {70.HG3} 1.614 0.060 0.127 {70.HB2} 2.141 0.111 0.158 {70.CG} 25.487 0.948 2.978 250.520 5.384 0 0 3226 {70.HG2 70.HG3} 1.555 0.060 0.127 {70.HB2 70.HB2} 2.140 0.111 0.158 {70.CG 70.CG} 25.526 0.948 2.978 175.838 8.040 0 0 3227 {?} 0.271 0.026 0.037 {?} 2.137 0.100 0.143 {?} 25.310 1.793 2.561 211.045 2.308 0 0 3228 {?} 0.237 0.021 0.018 {?} 2.114 0.121 0.097 {?} 25.467 0.853 0.684 34.363 108.601 0 0 3229 {71.HG2} 1.463 0.053 0.059 {164.HE1} 2.074 0.126 0.181 {71.CG} 25.417 1.185 1.282 246.031 2.595 0 0 3230 {70.HG3} 1.618 0.039 0.041 {70.HB3} 1.992 0.054 0.130 {70.CG} 25.527 1.712 1.874 244.523 5.946 0 0 3231 {70.HG2 70.HG3} 1.557 0.039 0.041 {70.HB3 70.HB3} 1.996 0.054 0.130 {70.CG 70.CG} 25.493 1.712 1.874 145.061 2.419 0 0 3232 {71.HG3} 1.376 0.062 0.139 {70.HB3} 2.003 0.168 0.298 {71.CG} 25.458 1.002 2.240 182.867 2.186 0 0 3233 {132.HD21 132.HD22 132.HD23 132.HD21 132.HD22 132.HD23 132.HD21 132.HD22 132.HD23 132.HD21 132.HD22 132.HD23} 0.552 0.028 0.015 {1.HB2 1.HB2 1.HB2 1.HE1 1.HE1 1.HE1 1.HE2 1.HE2 1.HE2 1.HE3 1.HE3 1.HE3} 1.992 0.175 0.089 {132.CD2 132.CD2 132.CD2 132.CD2 132.CD2 132.CD2 132.CD2 132.CD2 132.CD2 132.CD2 132.CD2 132.CD2} 25.397 1.482 0.514 8.773 137.273 0 0 3234 {105.HD11 105.HD13 105.HD11 105.HD12 105.HD13} 0.273 0.028 0.015 {149.HB3 149.HB3 154.HB 154.HB 154.HB} 1.861 0.175 0.089 {105.CD1 105.CD1 105.CD1 105.CD1 105.CD1} 25.298 1.482 0.514 13.242 137.273 0 0 3235 {?} 1.557 0.028 0.015 {?} 1.816 0.175 0.089 {?} 25.431 1.482 0.514 780.145 137.273 0 0 3236 {33.HD13} 0.905 0.020 0.000 {33.HB3} 1.808 0.116 0.001 {33.CD1} 25.363 1.207 0.011 565.794 4.734 0 0 3237 {70.HG2} 1.457 0.020 0.002 {70.HD2} 1.775 0.123 0.010 {70.CG} 25.633 1.323 0.107 5028.258 20.064 0 0 3238 {145.HD11 145.HD12 145.HD13} 1.217 0.058 0.097 {145.HG 145.HG 145.HG} 1.764 0.082 0.128 {145.CD1 145.CD1 145.CD1} 25.280 1.112 1.826 759.680 25.087 0 0 3239 {?} 0.685 0.022 0.015 {?} 1.694 0.128 0.076 {?} 25.483 1.229 0.760 1540.830 103.350 0 0 3240 {?} 2.129 0.041 0.046 {?} 1.603 0.110 0.130 {?} 25.509 1.079 1.243 25.967 1443.851 0 0 3241 {?} 1.980 0.060 0.060 {?} 1.591 0.137 0.140 {?} 25.590 1.272 1.301 47.840 49.313 0 0 3242 {?} 1.809 0.056 0.057 {?} 1.593 0.097 0.102 {?} 25.533 1.141 1.194 524.040 67.505 0 0 3243 {70.HG3} 1.618 0.060 0.085 {70.HG3} 1.602 0.133 0.167 {70.CG} 25.535 1.096 1.357 12069.272 24.668 0 0 3244 {70.HG3} 1.560 0.016 0.021 {70.HG3} 1.589 0.150 0.049 {70.CG} 25.542 1.564 0.592 1634.430 9.210 0 0 3245 {121.HD11 121.HD12 121.HD13} 0.903 0.020 0.015 {121.HG 121.HG 121.HG} 1.598 0.194 0.097 {121.CD1 121.CD1 121.CD1} 25.635 0.724 0.509 2979.195 5.853 0 0 3246 {?} 1.757 0.041 0.063 {?} 1.479 0.084 0.145 {?} 25.546 0.963 1.734 565.066 3.059 0 0 3247 {36.HG3 36.HG3 36.HG3 145.HD11 145.HD12 145.HD13} 1.171 0.054 0.041 {36.HB2 36.HD2 36.HD3 145.HB2 145.HB2 145.HB2} 1.503 0.061 0.097 {36.CG 36.CG 36.CG 145.CD1 145.CD1 145.CD1} 25.405 1.106 0.787 52.765 7.445 0 0 3248 {36.HG2 36.HG2 69.HD21} 0.684 0.036 0.030 {36.HD2 36.HD3 69.HB3} 1.487 0.077 0.058 {36.CG 36.CG 69.CD2} 25.494 0.865 0.646 1722.592 170.213 0 0 3249 {36.HG2 36.HG2 36.HG2} 0.640 0.036 0.030 {36.HB2 36.HD2 36.HD3} 1.525 0.077 0.058 {36.CG 36.CG 36.CG} 25.524 0.865 0.646 1428.801 170.213 0 0 3250 {105.HD11 105.HD13 105.HD11 105.HD12 105.HD13} 0.272 0.028 0.021 {105.HB2 105.HB2 105.HG 105.HG 105.HG} 1.518 0.098 0.068 {105.CD1 105.CD1 105.CD1 105.CD1 105.CD1} 25.323 1.083 0.749 858.044 99.192 0 0 3251 {2.HG2 71.HG2} 1.454 0.070 0.130 {2.HG2 71.HG2} 1.467 0.155 0.243 {2.CG 71.CG} 25.639 1.289 1.973 29430.709 2.590 0 0 3252 {145.HD11 145.HD12 145.HD13 152.HG} 1.216 0.079 0.112 {145.HD11 145.HD12 145.HD13 152.HG} 1.231 0.149 0.206 {145.CD1 145.CD1 145.CD1 152.CG} 25.323 1.129 1.775 6827.427 2.936 0 0 3253 {36.HG2} 0.637 0.051 0.085 {36.HG3} 1.184 0.113 0.189 {36.CG} 25.427 1.025 1.860 2669.792 2.359 0 0 3254 {?} 0.554 0.051 0.085 {?} 1.179 0.113 0.189 {?} 25.395 1.025 1.860 1853.652 2.359 0 0 3255 {?} 0.240 0.051 0.085 {?} 1.171 0.113 0.189 {?} 25.479 1.025 1.860 933.133 2.359 0 0 3256 {?} 1.216 0.036 0.047 {?} 1.018 0.095 0.062 {?} 25.392 1.163 0.760 1540.558 5.740 0 0 3257 {?} 0.683 0.024 0.034 {?} 1.017 0.062 0.101 {?} 25.430 1.142 0.816 714.453 2.428 0 0 3258 {33.HD11 33.HD12 33.HD13 67.HG12} 0.904 0.036 0.025 {33.HD11 33.HD12 33.HD13 67.HG12} 0.915 0.118 0.168 {33.CD1 33.CD1 33.CD1 67.CG1} 25.425 1.446 0.982 27604.461 1.730 0 0 3259 {105.HD11} 0.272 0.030 0.059 {154.HG21} 0.879 0.117 0.101 {105.CD1} 25.321 1.253 1.095 1385.979 2.053 0 0 3260 {69.HD21 69.HD22 69.HD23} 0.684 0.089 0.107 {69.HD21 69.HD22 69.HD23} 0.693 0.143 0.190 {69.CD2 69.CD2 69.CD2} 25.475 1.496 1.922 19396.648 1.687 0 0 3261 {36.HG2 69.HD21 69.HD22 69.HD23 81.HG} 0.643 0.014 0.017 {36.HG2 69.HD21 69.HD22 69.HD23 81.HG} 0.663 0.157 0.084 {36.CG 69.CD2 69.CD2 69.CD2 81.CG} 25.643 1.147 0.532 4875.844 2.472 0 0 3262 {36.HG3} 1.169 0.025 0.012 {36.HG2} 0.647 0.134 0.032 {36.CG} 25.427 0.771 0.595 592.414 1.870 0 0 3263 {152.HG} 1.216 0.060 0.029 {149.HD22} 0.574 0.087 0.109 {152.CG} 25.363 1.208 0.621 49.035 2.189 0 0 3264 {105.HD13} 0.272 0.064 0.021 {149.HD21} 0.583 0.051 0.054 {105.CD1} 25.326 0.836 0.404 1731.888 3.699 0 0 3265 {105.HD13 105.HD11} 0.243 0.061 0.031 {149.HD21 149.HD22} 0.583 0.085 0.047 {105.CD1 105.CD1} 25.402 1.232 0.678 367.697 1.869 0 0 3266 {?} 0.148 0.064 0.097 {?} 0.570 0.138 0.195 {?} 25.338 1.201 1.598 68.866 1.765 0 0 3267 {152.HG 152.HG 152.HG} 1.292 0.053 0.084 {152.HD21 152.HD22 152.HD23} 0.440 0.181 0.267 {152.CG 152.CG 152.CG} 25.483 1.142 1.676 169.203 1.773 0 0 3268 {105.HD11 105.HD12 105.HD13} 0.272 0.053 0.084 {105.HD11 105.HD12 105.HD13} 0.288 0.181 0.267 {105.CD1 105.CD1 105.CD1} 25.331 1.142 1.676 5661.980 2.334 0 0 3269 {?} 0.114 0.060 0.137 {?} 0.292 0.128 0.218 {?} 25.424 1.088 2.007 315.893 4.249 0 0 3270 {7.HD21 7.HD22 7.HD23 7.HD21 7.HD22 7.HD23 7.HD21 7.HD22 7.HD23 7.HD21 7.HD22 7.HD23} -0.006 0.043 0.112 {7.HG 7.HG 7.HG 7.HD11 7.HD11 7.HD11 7.HD12 7.HD12 7.HD12 7.HD13 7.HD13 7.HD13} 0.277 0.138 0.206 {7.CD2 7.CD2 7.CD2 7.CD2 7.CD2 7.CD2 7.CD2 7.CD2 7.CD2 7.CD2 7.CD2 7.CD2} 25.626 1.091 2.023 275.564 4.724 0 0 3271 {67.HG12 67.HG12 67.HG12} 0.907 0.045 0.111 {67.HD11 67.HD12 67.HD13} 0.117 0.113 0.163 {67.CG1 67.CG1 67.CG1} 25.345 1.274 1.665 1048.492 2.094 0 0 3272 {?} 0.688 0.023 0.045 {?} 0.127 0.177 0.162 {?} 25.443 1.183 1.040 16.988 5.255 0 0 3273 {?} 0.239 0.050 0.190 {?} -0.008 0.123 0.219 {?} 25.486 0.873 2.120 361.772 2.124 0 0 3274 {152.HG 152.HG 152.HG} 1.292 0.017 0.013 {152.HD11 152.HD12 152.HD13} -0.100 0.129 0.102 {152.CG 152.CG 152.CG} 25.498 0.726 0.552 200.694 2.779 0 0 3275 {105.HD11 105.HD11} 0.270 0.078 0.092 {152.HD11 152.HD13} -0.104 0.169 0.232 {105.CD1 105.CD1} 25.320 0.997 1.562 107.247 5.752 0 0 3276 {?} 0.680 0.020 0.020 {?} -0.248 0.018 0.025 {?} 25.406 0.304 0.435 41.625 4.043 0 0 3277 {?} 0.640 0.020 0.020 {?} -0.432 0.018 0.025 {?} 25.615 0.304 0.435 217.843 4.043 0 0 3278 {?} 1.458 0.064 0.093 {?} 10.402 0.173 0.214 {?} 24.718 1.218 1.525 101.336 7.796 0 0 3279 {?} 1.017 0.026 0.037 {?} 9.766 0.091 0.164 {?} 24.913 0.452 0.652 72.600 2.121 0 0 3280 {?} 1.518 0.044 0.032 {?} 9.634 0.089 0.162 {?} 24.662 1.662 0.912 182.215 1.945 0 0 3281 {?} 1.482 0.044 0.032 {?} 9.648 0.089 0.162 {?} 24.754 1.662 0.912 84.709 1.945 0 0 3282 {?} 1.019 0.053 0.103 {?} 9.479 0.114 0.190 {?} 24.910 1.175 2.127 264.089 6.239 0 0 3283 {?} 1.871 0.053 0.103 {?} 9.180 0.114 0.190 {?} 24.720 1.175 2.127 40.490 4.713 0 0 3284 {?} 1.740 0.047 0.082 {?} 9.164 0.117 0.192 {?} 24.765 0.961 1.800 100.064 3.273 0 0 3285 {?} 0.825 0.047 0.082 {?} 9.175 0.117 0.192 {?} 24.907 0.961 1.800 749.526 1.805 0 0 3286 {?} 1.048 0.037 0.052 {?} 9.116 0.120 0.171 {?} 24.771 1.098 1.535 340.231 5.067 0 0 3287 {?} 1.065 0.037 0.052 {?} 8.878 0.120 0.171 {?} 24.623 1.098 1.535 350.440 9.370 0 0 3288 {?} 1.023 0.037 0.052 {?} 8.878 0.120 0.171 {?} 24.824 1.098 1.535 407.131 9.370 0 0 3289 {?} 0.827 0.056 0.064 {?} 8.701 0.176 0.200 {?} 24.937 1.844 2.053 322.162 2.834 0 0 3290 {?} 1.066 0.056 0.064 {?} 8.658 0.176 0.200 {?} 24.637 1.844 2.053 962.752 33.813 0 0 3291 {?} 1.021 0.035 0.050 {?} 8.375 0.111 0.117 {?} 24.921 1.081 1.139 860.895 18.385 0 0 3292 {?} 1.066 0.058 0.082 {?} 8.240 0.087 0.096 {?} 24.607 1.125 1.241 194.363 14.976 0 0 3293 {?} 1.345 0.032 0.066 {?} 8.182 0.184 0.172 {?} 24.820 1.029 0.948 160.440 2.086 0 0 3294 {117.HD13} 0.824 0.026 0.037 {118.H} 8.126 0.162 0.180 {117.CD1} 24.914 1.350 1.519 102.613 2.027 0 0 3295 {?} 1.066 0.037 0.052 {?} 7.534 0.123 0.163 {?} 24.604 1.135 1.484 772.749 5.097 0 0 3296 {?} 0.827 0.024 0.034 {?} 7.500 0.152 0.137 {?} 24.896 0.926 0.823 2589.205 3.185 0 0 3297 {?} 1.019 0.026 0.037 {?} 7.426 0.168 0.166 {?} 24.899 1.431 1.412 754.007 3.200 0 0 3298 {?} 1.066 0.026 0.037 {?} 7.084 0.087 0.174 {?} 24.586 1.519 1.360 444.894 3.055 0 0 3299 {?} 1.020 0.062 0.089 {?} 7.095 0.132 0.189 {?} 24.756 0.901 1.287 724.334 14.011 0 0 3300 {76.HG13} 0.826 0.065 0.160 {76.H} 7.036 0.116 0.365 {76.CG1} 24.905 1.283 1.832 1431.741 11.195 0 0 3301 {?} 1.019 0.065 0.160 {?} 6.216 0.116 0.365 {?} 24.920 1.283 1.832 82.766 3.361 0 0 3302 {47.HD13} 0.825 0.065 0.160 {46.HA} 6.201 0.116 0.365 {47.CD1} 24.939 1.283 1.832 189.969 3.361 0 0 3303 {?} 0.823 0.065 0.160 {?} 5.862 0.116 0.365 {?} 24.958 1.283 1.832 133.926 2.762 0 0 3304 {?} 1.016 0.065 0.160 {?} 5.781 0.116 0.365 {?} 25.030 1.283 1.832 135.795 2.762 0 0 3305 {?} 1.068 0.014 0.024 {?} 5.498 0.136 0.213 {?} 24.821 0.802 1.560 236.358 2.349 0 0 3306 {?} 1.018 0.015 0.024 {?} 5.490 0.091 0.176 {?} 24.946 0.723 1.225 203.424 2.464 0 0 3307 {?} 1.020 0.087 0.172 {?} 5.263 0.096 0.137 {?} 24.852 0.783 2.461 29.465 2.032 0 0 3308 {?} 0.830 0.087 0.172 {?} 5.224 0.096 0.137 {?} 24.910 0.783 2.461 407.482 2.032 0 0 3309 {?} 1.503 0.087 0.172 {?} 5.170 0.096 0.137 {?} 24.801 0.783 2.461 161.783 3.478 0 0 3310 {?} 1.530 0.087 0.172 {?} 5.137 0.096 0.137 {?} 24.758 0.783 2.461 366.248 13.029 0 0 3311 {?} 0.828 0.087 0.172 {?} 5.011 0.096 0.137 {?} 24.887 0.783 2.461 1303.222 12.458 0 0 3312 {?} 1.019 0.087 0.172 {?} 4.923 0.096 0.137 {?} 24.877 0.783 2.461 1612.124 12.458 0 0 3313 {119.HG2} 1.528 0.087 0.172 {160.HA} 4.889 0.096 0.137 {119.CG} 24.842 0.783 2.461 47.967 439.359 0 0 3314 {119.HG2} 1.496 0.127 0.182 {160.HA} 4.880 0.120 0.172 {119.CG} 24.937 0.934 2.935 99.095 2.120 0 0 3315 {127.HG11 127.HG13} 0.825 0.127 0.182 {127.HA 127.HA} 4.715 0.120 0.172 {127.CG1 127.CG1} 24.912 0.934 2.935 564.151 75.437 0 0 3316 {126.HG2} 1.736 0.013 0.023 {41.HA2} 4.227 0.109 0.188 {126.CG} 24.685 1.244 2.125 61.540 4.970 0 0 3317 {?} 0.828 0.076 0.232 {?} 4.189 0.171 0.245 {?} 24.911 1.001 1.430 1085.527 4.013 0 0 3318 {?} 1.021 0.076 0.232 {?} 4.133 0.171 0.245 {?} 24.908 1.001 1.430 461.174 21.034 0 0 3319 {119.HG2} 1.506 0.067 0.095 {119.HA} 3.820 0.122 0.274 {119.CG} 24.728 1.146 1.637 61.941 19.149 0 0 3320 {119.HG2} 1.463 0.030 0.015 {119.HA} 3.809 0.144 0.069 {119.CG} 24.986 1.080 0.547 41.678 4.371 0 0 3321 {?} 1.866 0.079 0.172 {?} 3.758 0.200 0.286 {?} 24.758 1.212 2.091 30.101 2.365 0 0 3322 {?} 1.869 0.068 0.097 {?} 3.457 0.064 0.201 {?} 24.695 1.176 2.069 148.632 6.593 0 0 3323 {?} 1.746 0.068 0.097 {?} 3.376 0.064 0.201 {?} 24.696 1.176 2.069 209.134 6.593 0 0 3324 {?} 1.020 0.068 0.097 {?} 3.353 0.064 0.201 {?} 24.934 1.176 2.069 69.176 6.198 0 0 3325 {?} 0.829 0.017 0.035 {?} 3.182 0.086 0.171 {?} 24.936 1.124 2.048 326.000 20.782 0 0 3326 {?} 1.823 0.021 0.031 {?} 3.048 0.115 0.226 {?} 24.791 0.323 1.150 13.554 4.555 0 0 3327 {?} 1.510 0.060 0.127 {?} 3.048 0.038 0.121 {?} 24.993 0.894 2.318 812.404 2.210 0 0 3328 {?} 1.018 0.060 0.127 {?} 2.992 0.038 0.121 {?} 24.872 0.894 2.318 46.038 2.210 0 0 3329 {76.HG13} 0.831 0.060 0.127 {73.HB3} 2.829 0.038 0.121 {76.CG1} 24.847 0.894 2.318 95.459 1.846 0 0 3330 {62.HD13} 1.018 0.060 0.127 {45.HE2} 2.752 0.038 0.121 {62.CD1} 24.914 0.894 2.318 121.677 1.846 0 0 3331 {33.HD11} 0.945 0.060 0.127 {31.HB2} 2.368 0.038 0.121 {33.CD1} 24.877 0.894 2.318 467.236 4.846 0 0 3332 {121.HD21 121.HD22} 0.828 0.059 0.127 {121.HB2 121.HB2} 2.366 0.086 0.270 {121.CD2 121.CD2} 24.913 1.291 2.288 365.661 14.748 0 0 3333 {?} 1.869 0.059 0.127 {?} 2.311 0.086 0.270 {?} 24.706 1.291 2.288 83.362 14.748 0 0 3334 {126.HG3 126.HG2 126.HG3} 1.744 0.059 0.127 {39.HB3 126.HB2 126.HB2} 2.313 0.086 0.270 {126.CG 126.CG 126.CG} 24.685 1.291 2.288 66.236 14.748 0 0 3335 {?} 2.011 0.059 0.127 {?} 2.027 0.086 0.270 {?} 24.861 1.291 2.288 380.995 7.973 0 0 3336 {?} 1.864 0.071 0.202 {?} 1.885 0.050 0.301 {?} 24.764 1.368 1.955 661.846 18.317 0 0 3337 {?} 1.823 0.071 0.202 {?} 1.835 0.050 0.301 {?} 25.013 1.368 1.955 659.722 18.317 0 0 3338 {47.HD21 47.HD22} 1.019 0.071 0.202 {47.HB3 47.HB3} 1.816 0.050 0.301 {47.CD2 47.CD2} 24.902 1.368 1.955 1005.737 18.317 0 0 3339 {19.HG3 119.HG2} 1.510 0.071 0.202 {19.HB3 119.HD2} 1.799 0.050 0.301 {19.CG 119.CG} 25.041 1.368 1.955 2221.050 18.317 0 0 3340 {19.HG2 19.HD3 19.HG2 19.HD3} 1.346 0.071 0.202 {19.HB2 19.HB2 19.HB3 19.HB3} 1.789 0.050 0.301 {19.CG 19.CD 19.CG 19.CD} 24.918 1.368 1.955 254.572 18.317 0 0 3341 {33.HD11 33.HD12 33.HD13 47.HD22 47.HD21 47.HD22 47.HD23} 0.943 0.071 0.202 {33.HG 33.HG 33.HG 47.HB3 47.HG 47.HG 47.HG} 1.782 0.050 0.301 {33.CD1 33.CD1 33.CD1 47.CD2 47.CD2 47.CD2 47.CD2} 25.109 1.368 1.955 776.244 18.317 0 0 3342 {?} 0.828 0.071 0.202 {?} 1.689 0.050 0.301 {?} 24.913 1.368 1.955 374.522 18.317 0 0 3343 {47.HD22} 1.019 0.071 0.202 {47.HB2} 1.539 0.050 0.301 {47.CD2} 24.882 1.368 1.955 2067.775 5.585 0 0 3344 {19.HG3 119.HG2} 1.507 0.033 0.089 {19.HG3 119.HG2} 1.513 0.192 0.274 {19.CG 119.CG} 24.943 0.827 2.049 15318.773 2.458 0 0 3345 {?} 1.712 0.028 0.049 {?} 1.443 0.103 0.230 {?} 24.994 0.968 1.805 1099.729 1.956 0 0 3346 {19.HG2 19.HD3} 1.344 0.088 0.121 {19.HG2 19.HD3} 1.361 0.055 0.181 {19.CG 19.CD} 24.892 1.022 1.263 1822.338 1.703 0 0 3347 {?} 1.016 0.018 0.012 {?} 1.032 0.123 0.083 {?} 24.908 0.523 0.360 16494.793 2.204 0 0 3348 {33.HD11 33.HD12 33.HD13 47.HD21 47.HD22 47.HD23 62.HD11 62.HD12 62.HD13} 0.944 0.037 0.052 {33.HD11 33.HD12 33.HD13 47.HD21 47.HD22 47.HD23 62.HD11 62.HD12 62.HD13} 0.957 0.120 0.270 {33.CD1 33.CD1 33.CD1 47.CD2 47.CD2 47.CD2 62.CD1 62.CD1 62.CD1} 24.936 1.275 1.604 24816.289 3.455 0 0 3349 {?} 1.724 0.025 0.022 {?} 0.835 0.185 0.140 {?} 24.780 0.876 0.734 10.563 1.974 0 0 3350 {119.HG2 119.HG2} 1.521 0.019 0.018 {167.HG21 167.HG22} 0.822 0.102 0.096 {119.CG 119.CG} 24.750 1.100 1.032 207.648 5.626 0 0 3351 {119.HG2} 1.464 0.008 0.005 {167.HG22} 0.826 0.152 0.045 {119.CG} 24.642 1.153 0.360 271.857 3.881 0 0 3352 {47.HD11 47.HD12 47.HD13 76.HG13 117.HD11 117.HD12 117.HD13} 0.828 0.012 0.026 {47.HD11 47.HD12 47.HD13 76.HG13 117.HD11 117.HD12 117.HD13} 0.846 0.054 0.124 {47.CD1 47.CD1 47.CD1 76.CG1 117.CD1 117.CD1 117.CD1} 24.876 1.298 1.361 18660.266 4.580 0 0 3353 {?} 0.942 0.062 0.069 {?} 0.633 0.118 0.132 {?} 24.774 1.063 1.153 804.266 2.365 0 0 3354 {?} 0.829 0.030 0.023 {?} 0.628 0.064 0.049 {?} 24.930 1.372 1.040 2423.992 2.421 0 0 3355 {?} 1.019 0.029 0.022 {?} 0.111 0.115 0.084 {?} 24.936 0.900 0.658 521.231 3.083 0 0 3357 {76.HG13 76.HG13 76.HG13} 0.802 0.054 0.118 {76.HD11 76.HD12 76.HD13} -0.423 0.093 0.212 {76.CG1 76.CG1 76.CG1} 24.933 0.908 1.297 15.393 6.816 0 0 3358 {?} 0.591 0.078 0.111 {?} -0.416 0.120 0.182 {?} 25.014 1.194 1.652 39.659 5.435 0 0 3359 {76.HG13 76.HG13 76.HG13} 0.823 0.058 0.076 {76.HD11 76.HD12 76.HD13} -0.453 0.098 0.132 {76.CG1 76.CG1 76.CG1} 24.909 0.853 1.114 35.801 1.990 0 0 3360 {?} 0.851 0.047 0.053 {?} 10.369 0.087 0.095 {?} 24.173 1.135 1.648 28.459 3.409 0 0 3361 {?} 0.849 0.052 0.061 {?} 9.951 0.091 0.107 {?} 24.047 1.612 1.885 172.738 5.325 0 0 3362 {?} 0.850 0.076 0.109 {?} 9.350 0.112 0.202 {?} 24.085 0.836 1.480 402.845 3.305 0 0 3363 {?} 1.603 0.023 0.088 {?} 9.179 0.109 0.177 {?} 24.089 0.924 1.628 59.197 2.533 0 0 3364 {?} 1.068 0.045 0.054 {?} 9.176 0.104 0.137 {?} 24.524 1.436 1.768 160.669 2.634 0 0 3365 {?} 0.945 0.031 0.049 {?} 8.989 0.196 0.139 {?} 24.436 0.894 0.549 333.401 11.990 0 0 3366 {?} 0.569 0.047 0.081 {?} 8.721 0.101 0.192 {?} 24.176 1.176 1.754 93.611 2.047 0 0 3367 {?} 0.944 0.068 0.071 {?} 8.408 0.134 0.146 {?} 24.309 1.263 1.409 222.609 1.753 0 0 3368 {?} 0.564 0.038 0.028 {?} 8.294 0.135 0.094 {?} 24.210 1.433 0.943 66.712 2.509 0 0 3369 {62.HD11 62.HD13} 0.943 0.047 0.067 {64.H 64.H} 8.247 0.115 0.163 {62.CD1 62.CD1} 24.472 1.042 1.485 159.741 2.282 0 0 3370 {?} 1.446 0.047 0.067 {?} 7.960 0.115 0.163 {?} 24.424 1.042 1.485 178.812 2.563 0 0 3371 {?} 1.246 0.024 0.032 {?} 7.957 0.108 0.063 {?} 24.417 1.279 0.777 87.546 1.841 0 0 3372 {?} 0.850 0.048 0.091 {?} 7.749 0.125 0.207 {?} 24.076 1.264 1.907 521.743 1.520 0 0 3373 {?} 0.568 0.033 0.052 {?} 7.430 0.119 0.209 {?} 24.136 0.986 1.750 253.253 2.517 0 0 3374 {?} 0.849 0.043 0.069 {?} 7.204 0.136 0.256 {?} 24.090 0.967 1.702 1389.125 1.961 0 0 3375 {?} 0.573 0.074 0.157 {?} 6.273 0.136 0.252 {?} 24.174 1.711 2.444 57.620 5.254 0 0 3376 {?} 1.065 0.066 0.192 {?} 6.195 0.156 0.248 {?} 24.490 0.472 2.156 132.436 3.487 0 0 3377 {?} 0.848 0.035 0.054 {?} 5.928 0.165 0.194 {?} 24.190 0.885 1.187 217.358 4.166 0 0 3378 {?} 0.850 0.028 0.082 {?} 5.738 0.182 0.212 {?} 24.073 0.896 1.128 298.879 3.425 0 0 3379 {113.HG13} 0.849 0.038 0.059 {57.HA} 5.383 0.094 0.274 {113.CG1} 24.090 1.271 1.674 592.614 2.221 0 0 3380 {50.HG2} 1.615 0.047 0.078 {50.HA} 5.216 0.074 0.214 {50.CG} 24.066 1.436 1.846 66.996 2.551 0 0 3381 {?} 1.066 0.053 0.125 {?} 5.218 0.115 0.187 {?} 24.558 1.101 1.574 192.185 8.053 0 0 3382 {?} 0.944 0.053 0.125 {?} 5.220 0.115 0.187 {?} 24.251 1.101 1.574 356.706 2.054 0 0 3383 {?} 0.942 0.014 0.013 {?} 4.968 0.109 0.103 {?} 24.258 1.299 1.232 240.074 2.943 0 0 3384 {117.HD23} 1.065 0.013 0.013 {117.HA} 4.894 0.136 0.136 {117.CD2} 24.544 1.052 1.056 305.399 2.088 0 0 3385 {?} 0.568 0.024 0.069 {?} 4.861 0.126 0.181 {?} 24.243 0.958 1.547 25.758 1.633 0 0 3386 {?} 1.869 0.060 0.070 {?} 4.676 0.049 0.149 {?} 24.474 1.027 1.438 64.796 6.370 0 0 3387 {?} 0.946 0.045 0.082 {?} 4.588 0.095 0.176 {?} 24.462 0.854 1.518 726.351 5.855 0 0 3388 {?} 1.864 0.052 0.073 {?} 4.213 0.089 0.157 {?} 24.477 0.910 1.548 49.482 2.828 0 0 3389 {111.HG2} 1.452 0.018 0.041 {111.HA} 4.119 0.109 0.113 {111.CG} 24.420 1.094 1.137 533.080 13.925 0 0 3390 {?} 1.066 0.019 0.038 {?} 3.932 0.097 0.083 {?} 24.562 1.175 1.003 373.250 8.863 0 0 3391 {?} 0.567 0.037 0.099 {?} 3.846 0.171 0.291 {?} 24.090 1.006 2.401 331.919 13.366 0 0 3392 {126.HG2 126.HG3} 1.742 0.040 0.127 {40.HD3 40.HD3} 3.746 0.173 0.293 {126.CG 126.CG} 24.562 0.525 1.649 70.947 13.292 0 0 3393 {?} 1.066 0.038 0.063 {?} 3.206 0.160 0.293 {?} 24.569 1.263 1.805 3678.102 7.778 0 0 3394 {?} 0.946 0.043 0.061 {?} 3.174 0.132 0.189 {?} 24.461 1.083 1.547 3161.576 3.692 0 0 3395 {?} 1.248 0.057 0.093 {?} 3.029 0.111 0.197 {?} 24.458 1.487 2.125 3154.631 2.870 0 0 3396 {117.HD21} 1.065 0.009 0.015 {156.HB2} 2.157 0.088 0.181 {117.CD2} 24.461 0.913 1.843 638.707 2.619 0 0 3397 {113.HG12} 0.849 0.012 0.022 {113.HB} 2.120 0.089 0.180 {113.CG1} 24.053 1.029 1.872 2970.429 11.980 0 0 3398 {111.HG3} 1.248 0.012 0.022 {111.HB2} 2.042 0.089 0.180 {111.CG} 24.454 1.029 1.872 805.690 11.980 0 0 3399 {111.HG3} 1.247 0.042 0.166 {111.HB3} 1.820 0.132 0.190 {111.CG} 24.444 1.314 2.334 1518.545 4.109 0 0 3400 {?} 0.567 0.013 0.023 {?} 1.672 0.075 0.183 {?} 24.109 1.015 1.895 1729.668 2.300 0 0 3401 {?} 1.066 0.012 0.022 {?} 1.607 0.076 0.163 {?} 24.540 0.997 1.798 4760.229 14.290 0 0 3402 {?} 1.644 0.012 0.022 {?} 1.266 0.076 0.163 {?} 24.392 0.997 1.798 304.855 14.290 0 0 3403 {?} 1.605 0.012 0.022 {?} 1.205 0.076 0.163 {?} 24.155 0.997 1.798 1387.607 14.290 0 0 3404 {?} 1.716 0.038 0.072 {?} 1.161 0.103 0.233 {?} 24.209 0.536 1.686 3144.634 2.965 0 0 3405 {117.HD21 117.HD22 117.HD23} 1.066 0.026 0.037 {117.HD21 117.HD22 117.HD23} 1.082 0.073 0.191 {117.CD2 117.CD2 117.CD2} 24.525 1.168 1.610 97980.953 2.573 0 0 3406 {?} 1.652 0.063 0.262 {?} 0.596 0.055 0.301 {?} 24.387 1.524 2.177 240.197 1.981 0 0 3407 {69.HD11 69.HD12 69.HD13} 0.567 0.047 0.157 {69.HD11 69.HD12 69.HD13} 0.582 0.211 0.301 {69.CD1 69.CD1 69.CD1} 24.098 1.373 1.962 27421.084 7.296 0 0 3408 {?} 0.848 0.062 0.143 {?} 0.290 0.204 0.301 {?} 24.058 0.969 2.305 215.628 6.527 0 0 3409 {?} 1.069 0.062 0.143 {?} 0.262 0.204 0.301 {?} 24.322 0.969 2.305 644.902 4.226 0 0 3410 {?} 0.940 0.068 0.097 {?} 9.769 0.174 0.248 {?} 23.939 0.925 1.322 719.911 7.833 0 0 3411 {49.HD22} 0.437 0.030 0.032 {84.H} 9.509 0.181 0.193 {49.CD2} 23.828 0.868 0.946 328.356 5.057 0 0 3412 {?} 0.939 0.049 0.100 {?} 9.377 0.113 0.200 {?} 23.940 0.934 1.334 702.810 4.190 0 0 3413 {?} 0.438 0.060 0.086 {?} 8.734 0.087 0.165 {?} 23.795 0.861 1.452 193.504 4.958 0 0 3414 {?} 1.134 0.053 0.142 {?} 8.606 0.168 0.302 {?} 23.812 1.181 1.687 422.758 1.927 0 0 3415 {?} 0.883 0.053 0.142 {?} 8.322 0.168 0.302 {?} 23.751 1.181 1.687 345.775 4.916 0 0 3416 {?} 1.396 0.053 0.142 {?} 8.192 0.168 0.302 {?} 23.620 1.181 1.687 262.731 3.756 0 0 3417 {?} 0.878 0.053 0.142 {?} 8.065 0.168 0.302 {?} 23.616 1.181 1.687 587.579 5.703 0 0 3418 {?} 0.296 0.079 0.112 {?} 8.052 0.172 0.246 {?} 23.706 1.315 2.038 561.480 2.465 0 0 3419 {?} 0.940 0.026 0.037 {?} 7.564 0.092 0.206 {?} 23.854 0.976 3.035 2244.570 30.828 0 0 3420 {?} 0.434 0.053 0.101 {?} 7.521 0.086 0.181 {?} 23.768 0.941 1.666 780.174 7.531 0 0 3421 {?} 0.892 0.025 0.083 {?} 7.462 0.091 0.161 {?} 23.945 0.956 1.649 2337.918 36.930 0 0 3422 {?} 0.294 0.073 0.117 {?} 7.348 0.124 0.180 {?} 23.720 1.201 1.860 625.368 39.680 0 0 3423 {?} 1.396 0.073 0.117 {?} 7.292 0.124 0.180 {?} 23.608 1.201 1.860 399.716 39.680 0 0 3424 {?} 0.939 0.018 0.009 {?} 7.179 0.143 0.077 {?} 23.938 0.923 0.504 1102.564 94.290 0 0 3425 {?} 1.395 0.018 0.009 {?} 7.143 0.143 0.077 {?} 23.608 0.923 0.504 414.537 94.290 0 0 3426 {?} 0.892 0.018 0.009 {?} 7.091 0.143 0.077 {?} 23.937 0.923 0.504 1135.869 94.290 0 0 3427 {?} 0.295 0.018 0.009 {?} 7.102 0.143 0.077 {?} 23.714 0.923 0.504 239.868 94.290 0 0 3428 {?} 1.395 0.018 0.009 {?} 7.001 0.143 0.077 {?} 23.623 0.923 0.504 301.274 94.290 0 0 3429 {?} 0.890 0.038 0.054 {?} 6.885 0.081 0.109 {?} 23.972 1.010 1.349 68.247 29.694 0 0 3430 {21.HD11 21.HD12 21.HD13} 1.134 0.018 0.032 {23.HD2 23.HD2 23.HD2} 6.703 0.077 0.063 {21.CD1 21.CD1 21.CD1} 23.800 0.944 0.765 95.622 72.311 0 0 3431 {?} 1.395 0.018 0.032 {?} 6.594 0.077 0.063 {?} 23.674 0.944 0.765 134.321 72.311 0 0 3432 {?} 0.294 0.043 0.036 {?} 6.613 0.078 0.062 {?} 23.711 0.808 0.644 117.343 44.966 0 0 3433 {?} 1.397 0.043 0.036 {?} 6.264 0.078 0.062 {?} 23.591 0.808 0.644 202.329 44.966 0 0 3434 {?} 0.295 0.037 0.030 {?} 6.260 0.075 0.049 {?} 23.708 0.966 0.637 97.373 51.914 0 0 3435 {?} 0.937 0.055 0.055 {?} 6.196 0.105 0.103 {?} 24.004 1.044 1.025 127.956 13.244 0 0 3436 {?} 0.878 0.045 0.033 {?} 6.119 0.126 0.093 {?} 23.642 1.103 0.803 291.498 18.724 0 0 3437 {58.HD11 58.HD12 58.HD13} 0.884 0.045 0.033 {58.HA 58.HA 58.HA} 5.753 0.126 0.093 {58.CD1 58.CD1 58.CD1} 23.735 1.103 0.803 54.148 18.724 0 0 3438 {?} 0.939 0.045 0.033 {?} 5.738 0.126 0.093 {?} 23.923 1.103 0.803 494.642 18.724 0 0 3439 {?} 0.939 0.029 0.005 {?} 5.494 0.127 0.020 {?} 23.951 0.904 0.144 330.980 2.843 0 0 3440 {49.HD21 49.HD22 49.HD23} 0.437 0.048 0.042 {48.HA 48.HA 48.HA} 5.493 0.082 0.072 {49.CD2 49.CD2 49.CD2} 23.846 1.006 0.888 69.104 11.516 0 0 3441 {49.HD21 49.HD22} 0.436 0.035 0.030 {49.HA 49.HA} 5.102 0.125 0.107 {49.CD2 49.CD2} 23.813 0.862 0.736 428.330 15.318 0 0 3442 {?} 0.435 0.020 0.011 {?} 4.911 0.118 0.062 {?} 23.844 1.113 0.587 163.902 9.896 0 0 3443 {?} 1.395 0.020 0.011 {?} 4.855 0.172 0.121 {?} 23.613 1.226 0.652 249.650 7.349 0 0 3444 {21.HD11 21.HD12} 1.133 0.020 0.011 {21.HA 21.HA} 4.846 0.172 0.121 {21.CD1 21.CD1} 23.785 1.226 0.652 221.724 7.349 0 0 3445 {49.HD22} 0.437 0.020 0.011 {83.HA} 4.684 0.172 0.121 {49.CD2} 23.813 1.226 0.652 347.944 7.349 0 0 3446 {?} 0.390 0.020 0.011 {?} 4.679 0.172 0.121 {?} 23.488 1.226 0.652 197.158 7.349 0 0 3447 {?} 0.885 0.020 0.011 {?} 4.641 0.172 0.121 {?} 23.787 1.226 0.652 396.103 7.349 0 0 3448 {138.HG21} 1.397 0.020 0.011 {137.HA} 4.577 0.172 0.121 {138.CG2} 23.626 1.226 0.652 172.327 7.349 0 0 3449 {?} 0.293 0.028 0.016 {?} 4.575 0.113 0.062 {?} 23.681 1.267 0.711 121.578 8.071 0 0 3450 {138.HG21 138.HG22 138.HG23} 1.396 0.047 0.093 {138.HB 138.HB 138.HB} 4.178 0.115 0.192 {138.CG2 138.CG2 138.CG2} 23.615 1.110 1.839 289.625 14.786 0 0 3451 {?} 0.892 0.093 0.118 {?} 3.906 0.125 0.192 {?} 23.941 1.392 1.944 864.595 3.634 0 0 3452 {7.HG} 0.293 0.060 0.079 {7.HA} 3.591 0.100 0.120 {7.CG} 23.701 0.877 1.052 391.168 5.412 0 0 3453 {?} 0.940 0.036 0.047 {?} 3.365 0.108 0.133 {?} 23.802 1.136 1.356 387.091 14.759 0 0 3454 {?} 0.880 0.050 0.069 {?} 3.390 0.072 0.223 {?} 23.635 0.908 1.297 624.941 2.145 0 0 3455 {7.HG} 0.294 0.028 0.019 {4.HA} 3.348 0.133 0.056 {7.CG} 23.714 0.885 0.365 393.747 2.656 0 0 3456 {?} 1.135 0.026 0.021 {?} 3.042 0.141 0.110 {?} 23.909 0.730 0.544 1651.257 46.094 0 0 3457 {?} 0.888 0.033 0.212 {?} 3.047 0.077 0.209 {?} 23.907 0.873 2.309 330.221 28.056 0 0 3458 {?} 0.435 0.049 0.097 {?} 3.035 0.081 0.218 {?} 23.750 0.553 2.254 100.022 2.718 0 0 3459 {7.HG} 0.296 0.030 0.046 {6.HB3} 2.962 0.091 0.185 {7.CG} 23.646 1.003 1.671 257.693 135.918 0 0 3460 {?} 1.396 0.030 0.046 {?} 2.652 0.091 0.185 {?} 23.629 1.003 1.671 56.342 135.918 0 0 3461 {?} 0.940 0.030 0.046 {?} 2.650 0.091 0.185 {?} 23.925 1.003 1.671 927.381 135.918 0 0 3462 {?} 0.879 0.024 0.036 {?} 2.638 0.080 0.137 {?} 23.655 0.989 1.488 672.719 13.381 0 0 3463 {?} 0.437 0.030 0.011 {?} 2.666 0.113 0.035 {?} 23.783 1.071 0.326 302.077 3.757 0 0 3464 {7.HG 7.HD13} 0.293 0.030 0.011 {6.HB2 103.HB3} 2.601 0.113 0.035 {7.CG 7.CD1} 23.710 1.071 0.326 311.470 3.757 0 0 3465 {21.HD13} 1.134 0.042 0.165 {39.HG2} 2.499 0.151 0.272 {21.CD1} 23.755 1.109 1.857 1220.862 1.982 0 0 3466 {?} 1.396 0.042 0.165 {?} 2.449 0.151 0.272 {?} 23.624 1.109 1.857 581.148 1.982 0 0 3467 {?} 2.217 0.042 0.165 {?} 2.225 0.151 0.272 {?} 23.706 1.109 1.857 36.706 1.982 0 0 3468 {?} 2.170 0.024 0.016 {?} 2.185 0.191 0.082 {?} 23.558 0.710 0.391 174.033 2.031 0 0 3469 {?} 0.889 0.021 0.013 {?} 2.115 0.101 0.054 {?} 23.894 0.728 0.390 3249.700 2.198 0 0 3470 {50.HG3} 1.134 0.058 0.119 {50.HB2} 1.744 0.203 0.311 {50.CG} 23.802 1.019 1.928 2967.435 2.156 0 0 3471 {7.HG 7.HG} 0.295 0.039 0.040 {2.HB3 7.HB2} 1.654 0.067 0.069 {7.CG 7.CG} 23.721 0.901 0.925 878.979 4.814 0 0 3472 {?} 0.893 0.029 0.074 {?} 1.602 0.096 0.168 {?} 23.958 1.013 1.760 2826.358 2.136 0 0 3473 {?} 0.434 0.040 0.088 {?} 1.510 0.158 0.254 {?} 23.745 1.071 1.937 2069.595 3.539 0 0 3474 {?} 0.880 0.066 0.119 {?} 1.215 0.166 0.238 {?} 23.614 1.432 2.045 4601.551 1.687 0 0 3475 {50.HG3} 1.134 0.026 0.047 {50.HG3} 1.148 0.138 0.093 {50.CG} 23.785 0.848 0.560 23201.881 2.680 0 0 3476 {?} 1.396 0.026 0.047 {?} 0.985 0.138 0.093 {?} 23.620 0.848 0.560 1180.415 2.657 0 0 3477 {?} 1.396 0.026 0.047 {?} 0.806 0.138 0.093 {?} 23.616 0.848 0.560 309.779 2.465 0 0 3478 {49.HD22 49.HD23 49.HD21 49.HD23 49.HD23} 0.437 0.040 0.074 {49.HD11 49.HD11 49.HD12 49.HD12 49.HD13} 0.662 0.080 0.146 {49.CD2 49.CD2 49.CD2 49.CD2 49.CD2} 23.828 1.105 1.753 4975.180 2.541 0 0 3479 {?} 0.890 0.052 0.074 {?} 0.575 0.081 0.149 {?} 23.886 1.222 1.903 2567.052 3.247 0 0 3480 {49.HD21 49.HD22 49.HD23 152.HD21 152.HD22 152.HD23} 0.431 0.028 0.031 {49.HD21 49.HD22 49.HD23 152.HD21 152.HD22 152.HD23} 0.451 0.110 0.119 {49.CD2 49.CD2 49.CD2 152.CD2 152.CD2 152.CD2} 23.695 1.364 1.472 7374.955 2.848 0 0 3481 {?} 0.168 0.043 0.081 {?} 0.428 0.113 0.197 {?} 23.584 1.108 1.664 676.901 2.322 0 0 3482 {21.HD11} 1.133 0.048 0.072 {35.HD12} 0.345 0.114 0.218 {21.CD1} 23.866 1.055 1.694 25.461 3.403 0 0 3483 {7.HG 7.HD11 7.HD12 7.HD13} 0.294 0.030 0.018 {7.HG 7.HD11 7.HD12 7.HD13} 0.305 0.182 0.087 {7.CG 7.CD1 7.CD1 7.CD1} 23.714 1.342 0.699 8719.709 2.276 0 0 3484 {?} 1.396 0.026 0.016 {?} 0.250 0.133 0.074 {?} 23.607 0.908 0.511 103.002 2.884 0 0 3485 {7.HG 7.HG 7.HG} 0.294 0.039 0.038 {7.HD21 7.HD22 7.HD23} 0.000 0.095 0.088 {7.CG 7.CG 7.CG} 23.718 1.053 0.980 978.620 2.307 0 0 3486 {?} 0.892 0.039 0.045 {?} -0.371 0.118 0.164 {?} 23.964 0.878 1.091 1306.746 3.634 0 0 3487 {?} 1.224 0.057 0.101 {?} 9.553 0.103 0.202 {?} 22.954 1.018 1.926 796.465 2.348 0 0 3488 {?} 0.389 0.051 0.118 {?} 9.522 0.115 0.213 {?} 23.375 1.034 2.069 266.771 2.022 0 0 3489 {?} 1.190 0.037 0.052 {?} 9.174 0.091 0.142 {?} 23.232 0.952 1.560 1671.841 1.801 0 0 3490 {?} 0.387 0.026 0.037 {?} 9.169 0.081 0.106 {?} 23.233 0.963 1.293 357.989 4.473 0 0 3491 {?} 0.525 0.026 0.037 {?} 9.068 0.081 0.106 {?} 23.209 0.963 1.293 408.305 4.473 0 0 3492 {?} 1.190 0.066 0.065 {?} 8.994 0.074 0.072 {?} 23.225 0.908 0.885 789.676 3.799 0 0 3493 {?} 0.526 0.053 0.047 {?} 8.758 0.128 0.113 {?} 23.179 0.955 0.829 391.265 2.894 0 0 3494 {?} 0.388 0.053 0.047 {?} 8.731 0.128 0.113 {?} 23.278 0.955 0.829 143.630 2.894 0 0 3495 {61.HB1 61.HB2 61.HB3} 1.195 0.053 0.047 {67.H 67.H 67.H} 8.677 0.128 0.113 {61.CB 61.CB 61.CB} 23.229 0.955 0.829 117.227 2.894 0 0 3496 {?} 0.975 0.037 0.017 {?} 8.402 0.132 0.056 {?} 23.281 1.267 0.529 62.183 2.569 0 0 3497 {?} 0.525 0.037 0.017 {?} 8.124 0.132 0.056 {?} 23.194 1.267 0.529 188.594 2.569 0 0 3498 {159.HG21 159.HG22 159.HG23} 0.387 0.037 0.017 {159.H 159.H 159.H} 8.042 0.132 0.056 {159.CG2 159.CG2 159.CG2} 23.296 1.267 0.529 267.342 2.569 0 0 3499 {49.HD21} 0.420 0.042 0.020 {82.H} 7.932 0.109 0.050 {49.CD2} 23.383 0.457 0.458 116.078 4.907 0 0 3500 {?} 0.719 0.037 0.052 {?} 7.819 0.108 0.189 {?} 23.045 0.979 1.934 291.146 4.271 0 0 3501 {?} 0.974 0.037 0.052 {?} 7.734 0.116 0.205 {?} 23.280 0.943 1.851 151.162 3.415 0 0 3502 {?} 0.387 0.032 0.080 {?} 7.750 0.080 0.103 {?} 23.267 1.003 1.345 120.294 3.346 0 0 3503 {?} 0.975 0.032 0.080 {?} 7.555 0.080 0.103 {?} 23.279 1.003 1.345 558.708 3.346 0 0 3504 {?} 0.421 0.046 0.059 {?} 7.312 0.079 0.101 {?} 23.359 0.969 1.265 395.062 1.685 0 0 3505 {?} 0.421 0.042 0.093 {?} 7.165 0.115 0.190 {?} 23.336 0.842 1.632 481.079 2.155 0 0 3506 {?} 1.191 0.056 0.074 {?} 7.083 0.116 0.166 {?} 23.171 0.985 1.559 153.653 2.256 0 0 3507 {?} 0.525 0.078 0.157 {?} 7.080 0.141 0.213 {?} 23.138 1.733 2.476 86.207 2.099 0 0 3508 {?} 0.528 0.016 0.042 {?} 6.887 0.098 0.145 {?} 23.157 1.105 1.729 62.847 11.372 0 0 3509 {?} 0.387 0.055 0.127 {?} 6.764 0.124 0.197 {?} 23.292 1.251 1.800 223.890 11.138 0 0 3510 {?} 0.421 0.055 0.157 {?} 6.656 0.123 0.236 {?} 23.336 1.132 1.617 100.092 3.078 0 0 3511 {?} 0.719 0.056 0.087 {?} 6.579 0.119 0.170 {?} 23.043 0.917 1.284 217.725 2.169 0 0 3512 {?} 0.388 0.056 0.087 {?} 5.569 0.119 0.170 {?} 23.295 0.917 1.284 194.752 15.264 0 0 3513 {?} 1.193 0.056 0.087 {?} 5.474 0.119 0.170 {?} 23.088 0.917 1.284 621.125 15.264 0 0 3514 {61.HB1 61.HB2 61.HB3} 1.190 0.044 0.068 {61.HA 61.HA 61.HA} 5.238 0.120 0.176 {61.CB 61.CB 61.CB} 23.224 1.224 1.687 424.662 15.992 0 0 3515 {?} 0.976 0.028 0.037 {?} 5.220 0.046 0.131 {?} 23.273 1.115 1.655 76.039 12.605 0 0 3516 {?} 0.387 0.028 0.037 {?} 5.205 0.046 0.131 {?} 23.275 1.115 1.655 445.186 13.777 0 0 3517 {?} 0.525 0.061 0.086 {?} 5.165 0.037 0.108 {?} 23.137 1.346 1.748 183.895 4.022 0 0 3518 {?} 0.981 0.061 0.086 {?} 4.858 0.037 0.108 {?} 23.286 1.346 1.748 548.384 4.022 0 0 3519 {?} 0.387 0.061 0.086 {?} 4.837 0.037 0.108 {?} 23.290 1.346 1.748 232.817 4.022 0 0 3520 {?} 0.529 0.037 0.052 {?} 4.777 0.103 0.147 {?} 23.115 1.001 1.430 100.671 6.019 0 0 3521 {?} 0.527 0.037 0.052 {?} 4.633 0.103 0.147 {?} 23.136 1.001 1.430 66.816 6.019 0 0 3522 {152.HD21 152.HD22 159.HG21 159.HG22 159.HG23} 0.421 0.037 0.052 {152.HA 152.HA 159.HA 159.HA 159.HA} 4.275 0.103 0.147 {152.CD2 152.CD2 159.CG2 159.CG2 159.CG2} 23.353 1.001 1.430 295.451 6.019 0 0 3523 {?} 0.527 0.037 0.052 {?} 4.191 0.112 0.160 {?} 23.155 1.187 2.141 520.743 4.098 0 0 3524 {?} 0.719 0.037 0.052 {?} 4.065 0.112 0.160 {?} 23.053 1.187 2.141 1183.915 4.098 0 0 3525 {?} 0.392 0.056 0.104 {?} 3.979 0.119 0.210 {?} 23.350 0.890 1.955 174.122 3.734 0 0 3526 {152.HD21} 0.421 0.045 0.099 {106.HA} 3.731 0.172 0.281 {152.CD2} 23.344 0.837 2.081 505.914 5.673 0 0 3527 {?} 0.975 0.045 0.099 {?} 3.364 0.172 0.281 {?} 23.297 0.837 2.081 345.448 5.673 0 0 3528 {61.HB2 61.HB3} 1.189 0.013 0.019 {118.HB2 118.HB2} 3.223 0.070 0.201 {61.CB 61.CB} 23.186 1.060 2.127 379.362 11.257 0 0 3529 {?} 0.388 0.026 0.037 {?} 3.040 0.076 0.174 {?} 23.288 1.260 1.323 473.301 4.284 0 0 3530 {?} 0.975 0.026 0.037 {?} 2.891 0.126 0.181 {?} 23.290 0.337 1.075 590.895 128.742 0 0 3531 {61.HB1} 1.196 0.050 0.060 {45.HE2} 2.766 0.100 0.116 {61.CB} 23.098 0.849 0.987 574.797 4.056 0 0 3532 {?} 0.524 0.053 0.039 {?} 2.733 0.124 0.099 {?} 23.205 0.733 0.570 65.082 2.860 0 0 3533 {?} 0.388 0.017 0.025 {?} 2.645 0.172 0.122 {?} 23.290 0.851 0.470 236.345 6.387 0 0 3534 {?} 0.721 0.017 0.007 {?} 2.491 0.159 0.070 {?} 22.952 0.865 0.364 283.690 167.013 0 0 3535 {?} 0.526 0.017 0.007 {?} 2.328 0.159 0.070 {?} 23.188 0.865 0.364 514.482 167.013 0 0 3536 {?} 0.386 0.017 0.007 {?} 2.089 0.159 0.070 {?} 23.241 0.865 0.364 170.009 167.013 0 0 3537 {?} 2.046 0.047 0.104 {?} 2.060 0.123 0.193 {?} 23.176 0.588 0.893 286.719 4.734 0 0 3538 {?} 0.720 0.023 0.012 {?} 2.055 0.099 0.046 {?} 23.020 1.177 0.547 1008.248 12.018 0 0 3539 {90.HD22} 0.722 0.058 0.082 {90.HB2} 1.872 0.145 0.212 {90.CD2} 22.993 1.008 1.808 1649.576 18.816 0 0 3540 {?} 0.388 0.037 0.052 {?} 1.725 0.139 0.206 {?} 23.306 0.962 1.374 573.643 19.755 0 0 3541 {?} 0.718 0.057 0.020 {?} 1.598 0.105 0.039 {?} 23.051 1.201 0.451 1430.571 6.647 0 0 3542 {?} 0.721 0.015 0.032 {?} 1.211 0.087 0.083 {?} 22.971 0.677 0.646 1816.864 28.052 0 0 3543 {?} 0.526 0.015 0.032 {?} 1.233 0.087 0.083 {?} 23.068 0.677 0.646 660.748 28.052 0 0 3544 {?} 0.389 0.015 0.032 {?} 1.060 0.087 0.083 {?} 23.298 0.677 0.646 1380.473 28.052 0 0 3545 {?} 0.526 0.038 0.017 {?} 0.973 0.107 0.021 {?} 23.179 1.106 0.222 2604.960 17.078 0 0 3546 {152.HD22} 0.422 0.068 0.091 {151.HB2} 0.898 0.107 0.152 {152.CD2} 23.402 1.027 1.619 1373.564 41.365 0 0 3547 {?} 1.750 0.068 0.091 {?} 0.857 0.107 0.152 {?} 23.044 1.027 1.619 298.211 41.365 0 0 3548 {?} 1.583 0.068 0.091 {?} 0.738 0.107 0.152 {?} 23.232 1.027 1.619 84.941 41.365 0 0 3549 {?} 0.719 0.068 0.091 {?} 0.734 0.107 0.152 {?} 23.038 1.027 1.619 14546.016 41.365 0 0 3550 {49.HD23} 0.388 0.068 0.091 {49.HD13} 0.659 0.107 0.152 {49.CD2} 23.325 1.027 1.619 8828.894 41.365 0 0 3551 {?} 0.526 0.068 0.091 {?} 0.544 0.107 0.152 {?} 23.204 1.027 1.619 5207.838 41.365 0 0 3552 {49.HD21 49.HD22 49.HD23 152.HD21 152.HD22 152.HD23 159.HG21 159.HG22 159.HG23} 0.389 0.033 0.020 {49.HD21 49.HD22 49.HD23 152.HD21 152.HD22 152.HD23 159.HG21 159.HG22 159.HG23} 0.412 0.128 0.078 {49.CD2 49.CD2 49.CD2 152.CD2 152.CD2 152.CD2 159.CG2 159.CG2 159.CG2} 23.322 0.773 0.428 3498.636 5.920 0 0 3553 {61.HB1 61.HB2 61.HB3 61.HB1 61.HB2 61.HB3 61.HB1 61.HB3} 1.191 0.033 0.020 {67.HD11 67.HD11 67.HD11 67.HD12 67.HD12 67.HD12 67.HD13 67.HD13} 0.120 0.128 0.078 {61.CB 61.CB 61.CB 61.CB 61.CB 61.CB 61.CB 61.CB} 23.223 0.773 0.428 265.367 5.920 0 0 3554 {?} 0.974 0.019 0.027 {?} 0.112 0.174 0.113 {?} 23.278 1.083 0.547 447.629 14.640 0 0 3555 {152.HD21 152.HD21 152.HD23} 0.421 0.019 0.027 {152.HD12 152.HD13 152.HD13} -0.105 0.174 0.113 {152.CD2 152.CD2 152.CD2} 23.340 1.083 0.547 1078.955 14.640 0 0 3556 {?} 0.526 0.019 0.027 {?} -0.351 0.174 0.113 {?} 23.194 1.083 0.547 983.419 14.640 0 0 3557 {?} 0.388 0.019 0.027 {?} -0.426 0.174 0.113 {?} 23.273 1.083 0.547 407.425 14.640 0 0 3558 {?} 1.164 0.026 0.037 {?} 10.402 0.141 0.105 {?} 22.638 1.275 0.901 131.035 118.988 0 0 3559 {?} 1.168 0.026 0.037 {?} 9.937 0.141 0.105 {?} 22.672 1.275 0.901 121.494 118.988 0 0 3560 {?} 1.158 0.026 0.037 {?} 9.595 0.141 0.105 {?} 22.635 1.275 0.901 271.964 118.988 0 0 3561 {?} 1.293 0.037 0.052 {?} 9.562 0.109 0.103 {?} 22.739 1.166 1.101 181.773 15.371 0 0 3562 {?} 1.159 0.037 0.052 {?} 9.232 0.109 0.103 {?} 22.733 1.166 1.101 807.118 15.371 0 0 3563 {?} 0.599 0.037 0.052 {?} 9.213 0.109 0.103 {?} 22.646 1.166 1.101 232.387 15.371 0 0 3564 {?} 0.999 0.037 0.052 {?} 9.115 0.109 0.103 {?} 22.579 1.166 1.101 212.039 15.371 0 0 3565 {?} 0.950 0.037 0.052 {?} 8.766 0.109 0.103 {?} 22.805 1.166 1.101 1506.783 15.371 0 0 3566 {44.HG21 44.HG23} 0.597 0.056 0.080 {42.H 42.H} 8.701 0.113 0.158 {44.CG2 44.CG2} 22.441 1.210 1.630 125.489 28.072 0 0 3567 {?} 1.295 0.056 0.080 {?} 8.617 0.113 0.158 {?} 22.741 1.210 1.630 72.520 28.072 0 0 3568 {?} 0.999 0.056 0.080 {?} 8.506 0.113 0.158 {?} 22.610 1.210 1.630 296.515 28.072 0 0 3569 {?} 1.000 0.056 0.080 {?} 8.328 0.113 0.158 {?} 22.648 1.210 1.630 410.961 28.072 0 0 3570 {?} 1.291 0.026 0.037 {?} 8.298 0.104 0.122 {?} 22.424 1.256 1.437 406.364 5.566 0 0 3571 {?} 1.202 0.026 0.037 {?} 8.066 0.116 0.159 {?} 22.851 0.913 1.107 459.226 2.545 0 0 3572 {?} 1.297 0.043 0.020 {?} 7.999 0.095 0.027 {?} 22.708 1.108 0.313 219.436 6.685 0 0 3573 {?} 1.168 0.043 0.020 {?} 7.805 0.095 0.027 {?} 22.653 1.108 0.313 410.432 2.632 0 0 3574 {?} 1.296 0.058 0.020 {?} 7.638 0.153 0.076 {?} 22.737 0.588 0.237 13.349 2.772 0 0 3575 {?} 1.166 0.036 0.012 {?} 7.587 0.195 0.041 {?} 22.692 1.601 0.435 835.322 2.507 0 0 3576 {?} 1.100 0.012 0.020 {?} 7.575 0.087 0.058 {?} 22.682 0.945 0.624 237.840 2.456 0 0 3577 {?} 0.731 0.011 0.012 {?} 7.579 0.142 0.057 {?} 22.851 0.808 0.319 328.868 2.803 0 0 3578 {?} 1.200 0.042 0.047 {?} 7.519 0.132 0.155 {?} 22.453 0.956 1.108 418.859 2.532 0 0 3579 {?} 0.529 0.029 0.020 {?} 7.502 0.092 0.047 {?} 22.790 0.873 0.449 103.153 5.354 0 0 3580 {?} 0.726 0.022 0.074 {?} 7.400 0.111 0.184 {?} 22.917 0.886 1.567 371.174 4.792 0 0 3581 {?} 1.294 0.058 0.082 {?} 7.362 0.132 0.203 {?} 22.681 0.890 1.592 211.675 2.184 0 0 3582 {?} 1.163 0.041 0.083 {?} 7.377 0.117 0.187 {?} 22.653 1.234 1.946 473.406 4.641 0 0 3583 {?} 0.998 0.055 0.087 {?} 7.379 0.130 0.190 {?} 22.625 1.139 1.652 552.253 4.321 0 0 3584 {?} 0.732 0.059 0.076 {?} 7.211 0.119 0.164 {?} 22.798 1.209 1.681 434.826 4.137 0 0 3585 {?} 1.298 0.055 0.064 {?} 7.145 0.104 0.130 {?} 22.726 0.859 1.040 135.783 2.193 0 0 3586 {?} 0.998 0.043 0.072 {?} 7.062 0.098 0.160 {?} 22.640 1.036 1.979 718.478 2.873 0 0 3587 {?} 1.163 0.067 0.120 {?} 6.998 0.097 0.173 {?} 22.654 1.145 1.993 459.451 2.860 0 0 3588 {?} 1.296 0.018 0.006 {?} 6.703 0.106 0.132 {?} 22.806 1.410 0.435 126.753 5.547 0 0 3589 {?} 1.161 0.018 0.006 {?} 6.699 0.106 0.132 {?} 22.593 1.410 0.435 198.149 5.547 0 0 3590 {?} 0.998 0.018 0.006 {?} 6.647 0.106 0.132 {?} 22.558 1.410 0.435 84.731 5.547 0 0 3591 {?} 0.601 0.030 0.020 {?} 6.649 0.154 0.104 {?} 22.657 1.073 0.612 165.218 4.125 0 0 3592 {?} 1.203 0.030 0.020 {?} 6.594 0.154 0.104 {?} 22.708 1.073 0.612 118.666 4.125 0 0 3593 {?} 1.202 0.030 0.020 {?} 6.117 0.154 0.104 {?} 22.876 1.073 0.612 305.919 4.125 0 0 3594 {?} 1.159 0.042 0.055 {?} 5.849 0.188 0.226 {?} 22.632 0.890 1.091 192.392 4.221 0 0 3595 {?} 1.299 0.020 0.010 {?} 5.476 0.181 0.115 {?} 22.738 0.920 0.519 136.333 3.885 0 0 3596 {?} 0.600 0.044 0.099 {?} 5.482 0.052 0.200 {?} 22.688 1.123 1.815 75.632 4.100 0 0 3597 {20.HG21 20.HG22 20.HG23} 1.224 0.055 0.077 {20.HA 20.HA 20.HA} 5.439 0.063 0.188 {20.CG2 20.CG2 20.CG2} 22.911 1.263 1.805 682.712 6.010 0 0 3598 {20.HG21 20.HG22 20.HG23} 1.161 0.055 0.077 {20.HA 20.HA 20.HA} 5.455 0.063 0.188 {20.CG2 20.CG2 20.CG2} 22.712 1.263 1.805 623.706 6.010 0 0 3599 {?} 0.998 0.014 0.022 {?} 5.429 0.164 0.118 {?} 22.731 1.144 0.798 256.986 8.229 0 0 3600 {44.HG21 44.HG22 44.HG23} 0.599 0.044 0.083 {44.HA 44.HA 44.HA} 5.204 0.126 0.181 {44.CG2 44.CG2 44.CG2} 22.647 1.158 1.811 354.888 3.789 0 0 3601 {?} 1.291 0.059 0.078 {?} 5.165 0.074 0.212 {?} 22.400 0.633 2.055 174.110 2.612 0 0 3602 {136.HB1 136.HB2 136.HB3} 1.296 0.056 0.109 {22.HA 22.HA 22.HA} 4.963 0.196 0.279 {136.CB 136.CB 136.CB} 22.776 0.974 1.568 63.944 5.192 0 0 3603 {93.HD21 93.HD22 93.HD23} 0.733 0.052 0.040 {93.HA 93.HA 93.HA} 4.908 0.088 0.081 {93.CD2 93.CD2 93.CD2} 22.842 0.893 0.819 170.162 1.858 0 0 3604 {?} 0.599 0.052 0.096 {?} 4.708 0.089 0.198 {?} 22.615 1.180 2.039 127.913 19.037 0 0 3605 {?} 0.950 0.058 0.125 {?} 4.628 0.096 0.191 {?} 22.697 1.192 1.777 311.896 18.276 0 0 3606 {?} 1.161 0.061 0.104 {?} 4.562 0.103 0.214 {?} 22.608 0.552 1.734 545.102 19.083 0 0 3607 {?} 1.291 0.058 0.066 {?} 4.286 0.108 0.130 {?} 22.425 0.782 0.920 706.083 4.705 0 0 3608 {92.HG22 109.HG21} 1.166 0.063 0.080 {92.HA 109.HA} 4.303 0.105 0.156 {92.CG2 109.CG2} 22.665 0.876 1.157 1334.052 5.938 0 0 3609 {?} 0.998 0.063 0.068 {?} 4.175 0.091 0.102 {?} 22.616 0.686 1.615 2322.686 8.972 0 0 3610 {44.HG21 44.HG22 44.HG23} 0.598 0.062 0.075 {44.HB 44.HB 44.HB} 4.100 0.135 0.175 {44.CG2 44.CG2 44.CG2} 22.614 1.369 1.785 209.951 9.187 0 0 3611 {?} 1.291 0.062 0.075 {?} 3.921 0.135 0.175 {?} 22.440 1.369 1.785 340.931 4.471 0 0 3612 {20.HG21 20.HG22 20.HG23 109.HG21 109.HG22 109.HG23} 1.226 0.054 0.102 {20.HB 20.HB 20.HB 109.HB 109.HB 109.HB} 3.893 0.104 0.217 {20.CG2 20.CG2 20.CG2 109.CG2 109.CG2 109.CG2} 22.900 1.352 2.340 659.780 6.521 0 0 3613 {20.HG21 20.HG22 20.HG23 92.HG21 92.HG22} 1.167 0.011 0.005 {20.HB 20.HB 20.HB 92.HB 92.HB} 3.873 0.080 0.036 {20.CG2 20.CG2 20.CG2 92.CG2 92.CG2} 22.702 0.611 0.275 1733.920 14.697 0 0 3614 {?} 1.167 0.011 0.005 {?} 3.649 0.080 0.036 {?} 22.681 0.611 0.275 318.079 14.697 0 0 3615 {100.HG11 100.HG12 100.HG13} 1.202 0.011 0.005 {100.HA 100.HA 100.HA} 3.398 0.080 0.036 {100.CG1 100.CG1 100.CG1} 22.881 0.611 0.275 133.796 14.697 0 0 3616 {?} 0.723 0.056 0.105 {?} 3.197 0.094 0.177 {?} 22.885 1.190 1.835 77.921 145.355 0 0 3617 {44.HG23} 0.599 0.056 0.105 {42.HA3} 3.180 0.094 0.177 {44.CG2} 22.618 1.190 1.835 310.804 145.355 0 0 3618 {?} 1.294 0.056 0.105 {?} 3.127 0.094 0.177 {?} 22.535 1.190 1.835 94.928 145.355 0 0 3619 {?} 1.168 0.045 0.088 {?} 2.810 0.126 0.181 {?} 22.745 1.203 1.877 326.146 86.989 0 0 3620 {93.HD21 93.HD22 93.HD23} 0.731 0.045 0.088 {89.HA 89.HA 89.HA} 2.827 0.126 0.181 {93.CD2 93.CD2 93.CD2} 22.828 1.203 1.877 91.381 86.989 0 0 3621 {136.HB1} 1.293 0.068 0.097 {22.HB2} 2.752 0.157 0.224 {136.CB} 22.608 1.146 1.637 37.138 19.418 0 0 3622 {145.HD21 145.HD22 145.HD23} 0.998 0.045 0.098 {145.HB3 145.HB3 145.HB3} 2.546 0.128 0.183 {145.CD2 145.CD2 145.CD2} 22.647 0.847 1.854 201.869 38.992 0 0 3623 {?} 1.163 0.045 0.098 {?} 2.481 0.128 0.183 {?} 22.629 0.847 1.854 752.217 38.992 0 0 3624 {?} 2.362 0.047 0.092 {?} 2.372 0.125 0.256 {?} 22.634 1.138 1.941 259.612 25.439 0 0 3625 {?} 1.293 0.026 0.020 {?} 2.291 0.123 0.087 {?} 22.617 0.400 0.283 2012.886 41.165 0 0 3626 {100.HG11 100.HG13} 1.202 0.015 0.021 {100.HB 100.HB} 2.207 0.076 0.104 {100.CG1 100.CG1} 22.787 0.646 0.883 6203.590 19.149 0 0 3627 {92.HG23} 1.163 0.046 0.202 {91.HG2} 2.209 0.106 0.151 {92.CG2} 22.668 1.369 1.956 668.273 5.687 0 0 3628 {?} 1.294 0.067 0.088 {?} 2.011 0.156 0.256 {?} 22.561 0.996 1.592 9.352 7.622 0 0 3629 {?} 1.202 0.067 0.088 {?} 1.993 0.156 0.256 {?} 22.787 0.996 1.592 39.482 7.622 0 0 3630 {?} 1.165 0.067 0.088 {?} 2.011 0.156 0.256 {?} 22.667 0.996 1.592 56.799 7.622 0 0 3631 {45.HG2} 1.163 0.062 0.148 {45.HB2} 1.766 0.101 0.203 {45.CG} 22.694 1.027 2.275 931.085 7.233 0 0 3632 {145.HD21 145.HD22 145.HD23} 0.998 0.062 0.148 {145.HG 145.HG 145.HG} 1.765 0.101 0.203 {145.CD2 145.CD2 145.CD2} 22.636 1.027 2.275 215.403 7.233 0 0 3633 {33.HD21 33.HD22 33.HD23} 0.847 0.062 0.148 {33.HG 33.HG 33.HG} 1.785 0.101 0.203 {33.CD2 33.CD2 33.CD2} 22.858 1.027 2.275 366.780 7.233 0 0 3634 {145.HD21 145.HD22 145.HD23} 0.999 0.065 0.188 {145.HB2 145.HB2 145.HB2} 1.557 0.114 0.226 {145.CD2 145.CD2 145.CD2} 22.653 0.985 2.061 148.195 12.615 0 0 3635 {20.HG21 20.HG22 20.HG23 96.HG21 96.HG22 96.HG23 109.HG21 109.HG22 109.HG23} 1.202 0.048 0.129 {20.HG21 20.HG22 20.HG23 96.HG21 96.HG22 96.HG23 109.HG21 109.HG22 109.HG23} 1.223 0.155 0.258 {20.CG2 20.CG2 20.CG2 96.CG2 96.CG2 96.CG2 109.CG2 109.CG2 109.CG2} 22.504 0.936 2.149 30612.537 3.380 0 0 3636 {61.HB1 61.HB3} 1.201 0.053 0.082 {67.HG12 67.HG12} 0.899 0.101 0.287 {61.CB 61.CB} 22.796 1.089 1.745 1346.874 5.078 0 0 3637 {?} 1.167 0.057 0.143 {?} 0.858 0.200 0.286 {?} 22.728 0.981 2.171 1931.359 2.343 0 0 3638 {33.HD21 33.HD22 33.HD23} 0.847 0.069 0.070 {33.HD21 33.HD22 33.HD23} 0.860 0.211 0.301 {33.CD2 33.CD2 33.CD2} 22.825 1.519 1.541 70642.359 3.063 0 0 3639 {?} 0.998 0.050 0.059 {?} 0.572 0.101 0.179 {?} 22.623 1.062 1.303 649.170 5.648 0 0 3640 {?} 1.201 0.037 0.052 {?} 0.539 0.128 0.129 {?} 22.724 0.918 0.927 655.262 2.561 0 0 3641 {?} 0.716 0.056 0.087 {?} 0.404 0.115 0.179 {?} 22.763 0.439 1.749 68.623 2.280 0 0 3642 {?} 1.289 0.039 0.044 {?} 0.353 0.095 0.115 {?} 22.403 0.933 1.126 14.982 2.387 0 0 3643 {?} 1.159 0.014 0.035 {?} 0.354 0.100 0.114 {?} 22.579 1.707 1.949 65.924 5.641 0 0 3644 {?} 0.732 0.014 0.035 {?} 0.294 0.100 0.114 {?} 22.821 1.707 1.949 37.809 5.641 0 0 3645 {?} 0.719 0.014 0.035 {?} -0.084 0.100 0.114 {?} 22.779 1.707 1.949 6.301 3.252 0 0 3646 {?} 1.291 0.014 0.035 {?} -0.131 0.100 0.114 {?} 22.438 1.707 1.949 3.122 2.721 0 0 3647 {?} 0.142 0.066 0.187 {?} -0.381 0.134 0.214 {?} 22.916 0.955 2.134 34.334 10.907 0 0 3648 {?} 0.094 0.039 0.064 {?} -0.609 0.210 0.300 {?} 22.682 1.049 1.828 70.203 3.354 0 0 3649 {?} 0.843 0.009 0.011 {?} 10.382 0.048 0.058 {?} 22.006 1.148 0.635 116.624 10.095 0 0 3650 {?} 0.843 0.009 0.011 {?} 9.950 0.048 0.058 {?} 21.953 1.148 0.635 335.721 10.095 0 0 3651 {?} 1.385 0.009 0.011 {?} 9.547 0.048 0.058 {?} 22.274 1.148 0.635 547.176 10.095 0 0 3652 {?} 0.792 0.014 0.020 {?} 9.402 0.074 0.043 {?} 21.969 0.388 0.490 232.057 2.007 0 0 3653 {?} 1.232 0.014 0.020 {?} 9.268 0.074 0.043 {?} 22.095 0.388 0.490 892.203 6.161 0 0 3654 {?} 0.876 0.026 0.037 {?} 9.091 0.149 0.124 {?} 21.938 1.495 1.342 151.918 2.595 0 0 3655 {?} 1.385 0.053 0.110 {?} 9.059 0.103 0.191 {?} 22.249 0.969 1.526 371.115 9.761 0 0 3656 {?} 0.843 0.064 0.088 {?} 9.059 0.094 0.171 {?} 21.938 0.955 1.410 292.842 2.978 0 0 3657 {?} 1.288 0.037 0.014 {?} 8.904 0.144 0.062 {?} 22.258 0.896 0.386 134.645 2.371 0 0 3658 {?} 1.232 0.026 0.015 {?} 8.871 0.115 0.041 {?} 22.002 0.676 0.241 270.625 10.386 0 0 3659 {116.HG11 116.HG12 116.HG13} 1.164 0.052 0.029 {117.H 117.H 117.H} 8.785 0.118 0.066 {116.CG1 116.CG1 116.CG1} 22.016 1.165 0.652 27.854 10.792 0 0 3660 {?} 1.233 0.023 0.041 {?} 8.454 0.130 0.093 {?} 21.998 1.192 0.797 153.053 7.703 0 0 3661 {?} 0.586 0.047 0.053 {?} 8.328 0.126 0.151 {?} 22.024 0.752 0.876 588.966 3.701 0 0 3662 {?} 0.584 0.052 0.094 {?} 8.043 0.054 0.165 {?} 21.937 1.198 1.648 111.566 2.021 0 0 3663 {?} 0.635 0.085 0.102 {?} 7.852 0.050 0.148 {?} 21.917 1.260 1.638 105.462 5.354 0 0 3664 {149.HD22} 0.589 0.085 0.102 {153.H} 7.862 0.050 0.148 {149.CD2} 22.073 1.260 1.638 10.309 5.354 0 0 3665 {95.HG12 95.HG13} 0.790 0.025 0.015 {104.H 104.H} 7.796 0.081 0.017 {95.CG1 95.CG1} 21.881 0.899 0.192 144.689 3.709 0 0 3666 {96.HG23} 1.227 0.065 0.081 {134.H} 7.752 0.102 0.111 {96.CG2} 22.065 1.133 1.242 18.566 3.070 0 0 3667 {149.HD21} 0.586 0.041 0.048 {115.HE2} 7.559 0.124 0.148 {149.CD2} 22.034 0.813 0.990 327.359 3.160 0 0 3668 {?} 0.944 0.011 0.020 {?} 7.424 0.094 0.077 {?} 22.019 1.091 0.889 233.583 6.327 0 0 3669 {149.HD23} 0.585 0.011 0.020 {148.HD1} 7.363 0.094 0.077 {149.CD2} 21.940 1.091 0.889 440.087 6.327 0 0 3670 {136.HB1 136.HB2 136.HB3} 1.231 0.011 0.020 {136.H 136.H 136.H} 7.318 0.094 0.077 {136.CB 136.CB 136.CB} 22.073 1.091 0.889 56.767 6.327 0 0 3671 {?} 0.586 0.022 0.055 {?} 7.123 0.162 0.187 {?} 21.968 1.501 1.787 486.633 1.855 0 0 3672 {?} 1.232 0.038 0.027 {?} 6.916 0.068 0.131 {?} 21.964 0.808 0.650 329.168 2.568 0 0 3673 {?} 0.789 0.069 0.090 {?} 6.763 0.167 0.213 {?} 21.917 1.337 1.702 330.949 2.721 0 0 3674 {?} 0.632 0.079 0.112 {?} 6.636 0.113 0.161 {?} 22.028 1.324 2.151 12.226 7.732 0 0 3675 {?} 0.793 0.079 0.112 {?} 6.601 0.113 0.161 {?} 22.018 1.324 2.151 70.145 7.452 0 0 3676 {?} 0.792 0.079 0.112 {?} 6.262 0.113 0.161 {?} 21.964 1.324 2.151 17.936 7.452 0 0 3677 {?} 0.600 0.079 0.112 {?} 6.264 0.113 0.161 {?} 22.156 1.324 2.151 40.631 7.452 0 0 3678 {?} 0.636 0.049 0.051 {?} 6.140 0.110 0.116 {?} 21.918 0.968 1.020 48.716 6.097 0 0 3679 {?} 1.231 0.041 0.065 {?} 5.938 0.151 0.194 {?} 22.008 1.049 1.474 88.368 5.821 0 0 3680 {?} 0.582 0.046 0.054 {?} 5.946 0.196 0.223 {?} 22.145 0.926 1.127 89.644 16.578 0 0 3681 {139.HB1 139.HB2} 1.385 0.046 0.054 {128.HA 128.HA} 5.858 0.196 0.223 {139.CB 139.CB} 22.258 0.926 1.127 104.549 16.578 0 0 3682 {?} 0.800 0.046 0.054 {?} 5.880 0.196 0.223 {?} 21.970 0.926 1.127 128.677 16.578 0 0 3683 {139.HB1 139.HB2 139.HB3} 1.385 0.046 0.054 {139.HA 139.HA 139.HA} 5.491 0.196 0.223 {139.CB 139.CB 139.CB} 22.251 0.926 1.127 746.139 16.578 0 0 3684 {?} 0.844 0.037 0.052 {?} 5.381 0.109 0.118 {?} 21.974 1.064 1.150 300.632 2.141 0 0 3685 {?} 1.232 0.037 0.052 {?} 5.294 0.118 0.131 {?} 22.134 1.036 1.125 1134.307 4.735 0 0 3686 {?} 0.843 0.037 0.052 {?} 5.208 0.118 0.131 {?} 21.856 1.036 1.125 349.671 4.735 0 0 3687 {116.HG11} 1.230 0.037 0.052 {116.HA} 4.795 0.118 0.131 {116.CG1} 22.065 1.036 1.125 852.451 4.735 0 0 3688 {96.HG21 96.HG22} 1.202 0.044 0.029 {96.HA 96.HA} 4.745 0.106 0.077 {96.CG2 96.CG2} 22.304 0.631 0.458 822.990 4.468 0 0 3689 {?} 0.794 0.061 0.112 {?} 4.580 0.118 0.198 {?} 21.996 1.072 1.532 203.159 4.734 0 0 3690 {96.HG21 96.HG22 96.HG23} 1.201 0.062 0.123 {96.HB 96.HB 96.HB} 4.512 0.188 0.271 {96.CG2 96.CG2 96.CG2} 22.321 1.119 1.598 549.927 7.792 0 0 3691 {?} 1.238 0.084 0.152 {?} 4.285 0.120 0.228 {?} 22.069 0.919 2.056 183.146 6.881 0 0 3692 {?} 0.634 0.055 0.078 {?} 4.060 0.126 0.181 {?} 21.940 1.029 1.470 769.101 9.291 0 0 3693 {?} 0.944 0.055 0.078 {?} 3.874 0.126 0.181 {?} 22.020 1.029 1.470 3497.505 9.291 0 0 3694 {139.HB1} 1.387 0.055 0.078 {40.HD3} 3.788 0.126 0.181 {139.CB} 22.214 1.029 1.470 44.679 9.291 0 0 3695 {96.HG21 96.HG22 96.HG23} 1.201 0.055 0.078 {97.HD2 97.HD2 97.HD2} 3.697 0.126 0.181 {96.CG2 96.CG2 96.CG2} 22.388 1.029 1.470 168.021 14.155 0 0 3696 {149.HD21 149.HD22 149.HD23} 0.584 0.055 0.078 {149.HA 149.HA 149.HA} 3.658 0.126 0.181 {149.CD2 149.CD2 149.CD2} 21.953 1.029 1.470 264.038 14.155 0 0 3697 {132.HD11 132.HD12 132.HD13} 0.635 0.030 0.040 {132.HA 132.HA 132.HA} 3.573 0.111 0.158 {132.CD1 132.CD1 132.CD1} 21.910 0.840 1.100 90.053 7.334 0 0 3698 {139.HB1} 1.383 0.079 0.112 {126.HD3} 3.470 0.134 0.191 {139.CB} 22.240 1.061 3.157 62.605 5.181 0 0 3699 {132.HD11 132.HD13} 0.633 0.024 0.043 {103.HB2 103.HB2} 3.359 0.088 0.209 {132.CD1 132.CD1} 21.933 0.800 1.829 128.900 7.463 0 0 3700 {?} 1.386 0.033 0.050 {?} 3.048 0.093 0.210 {?} 22.231 0.977 1.831 67.558 2.200 0 0 3701 {?} 1.234 0.025 0.022 {?} 3.020 0.085 0.074 {?} 22.053 0.667 0.583 265.628 15.329 0 0 3702 {?} 1.291 0.025 0.022 {?} 2.942 0.085 0.074 {?} 22.349 0.667 0.583 138.769 15.329 0 0 3703 {?} 1.232 0.026 0.037 {?} 2.707 0.133 0.138 {?} 22.048 1.146 1.188 273.861 11.678 0 0 3704 {140.HG11 140.HG11 140.HG12 140.HG13 95.HG11} 0.792 0.053 0.094 {17.HB2 18.HB2 18.HB2 18.HB2 107.HB3} 2.650 0.164 0.234 {140.CG1 140.CG1 140.CG1 140.CG1 95.CG1} 21.929 0.862 1.810 59.805 34.356 0 0 3705 {149.HD21 149.HD22 149.HD23} 0.585 0.073 0.128 {149.HG 149.HG 149.HG} 2.319 0.091 0.236 {149.CD2 149.CD2 149.CD2} 21.946 0.955 2.081 63.652 5.435 0 0 3706 {139.HB2 139.HB2} 1.385 0.054 0.097 {39.HE1 39.HE2} 2.209 0.093 0.172 {139.CB 139.CB} 22.251 1.609 2.132 882.796 11.112 0 0 3707 {116.HG12 116.HG13} 1.231 0.037 0.052 {116.HB 116.HB} 2.183 0.164 0.209 {116.CG1 116.CG1} 22.051 1.075 3.176 1742.474 6.200 0 0 3708 {95.HG13} 0.844 0.049 0.077 {95.HB} 2.104 0.081 0.140 {95.CG1} 21.880 1.201 1.715 3295.384 3.892 0 0 3709 {?} 0.942 0.049 0.077 {?} 2.074 0.081 0.140 {?} 22.043 1.201 1.715 2011.356 3.892 0 0 3710 {149.HD22 149.HD23} 0.585 0.037 0.037 {149.HB2 149.HB2} 2.036 0.106 0.103 {149.CD2 149.CD2} 21.938 1.078 1.053 277.405 45.163 0 0 3711 {?} 1.798 0.078 0.126 {?} 1.824 0.082 0.169 {?} 21.931 0.884 1.763 37.090 3.374 0 0 3712 {?} 1.385 0.010 0.011 {?} 1.822 0.135 0.059 {?} 22.241 1.506 0.689 937.883 23.645 0 0 3713 {149.HD22 149.HD22} 0.585 0.030 0.016 {149.HB3 154.HB} 1.851 0.094 0.048 {149.CD2 149.CD2} 21.956 0.828 0.423 641.182 22.347 0 0 3714 {?} 0.586 0.030 0.016 {?} 1.548 0.094 0.048 {?} 22.016 0.828 0.423 1650.224 22.347 0 0 3715 {?} 0.635 0.030 0.016 {?} 1.494 0.094 0.048 {?} 21.906 0.828 0.423 643.374 22.347 0 0 3716 {139.HB1 139.HB2 139.HB3} 1.384 0.030 0.016 {139.HB1 139.HB2 139.HB3} 1.398 0.094 0.048 {139.CB 139.CB 139.CB} 22.263 0.828 0.423 5185.928 22.347 0 0 3717 {?} 0.793 0.030 0.016 {?} 1.392 0.094 0.048 {?} 21.938 0.828 0.423 43.413 22.347 0 0 3718 {136.HB1 136.HB2 136.HB3} 1.289 0.030 0.016 {136.HB1 136.HB2 136.HB3} 1.304 0.094 0.048 {136.CB 136.CB 136.CB} 22.337 0.828 0.423 29467.777 22.347 0 0 3719 {96.HG21 96.HG22 96.HG23 116.HG11 116.HG12 116.HG13} 1.166 0.038 0.037 {96.HG21 96.HG22 96.HG23 116.HG11 116.HG12 116.HG13} 1.186 0.124 0.121 {96.CG2 96.CG2 96.CG2 116.CG1 116.CG1 116.CG1} 22.010 1.668 1.632 44603.785 28.234 0 0 3720 {?} 0.844 0.038 0.037 {?} 1.175 0.124 0.121 {?} 22.029 1.668 1.632 7246.637 28.234 0 0 3721 {?} 0.635 0.038 0.037 {?} 1.180 0.124 0.121 {?} 21.944 1.668 1.632 472.117 28.234 0 0 3722 {?} 1.232 0.050 0.031 {?} 0.944 0.090 0.060 {?} 22.048 1.178 0.778 935.643 2.613 0 0 3723 {?} 0.588 0.059 0.089 {?} 0.928 0.171 0.226 {?} 22.155 1.097 1.785 3276.449 12.211 0 0 3724 {?} 1.291 0.022 0.009 {?} 0.741 0.120 0.047 {?} 22.237 0.832 0.766 23.786 9.660 0 0 3725 {?} 0.943 0.036 0.024 {?} 0.627 0.155 0.111 {?} 22.075 1.088 0.749 5817.918 525.599 0 0 3726 {44.HG21 44.HG22 44.HG23 132.HD11 132.HD12 132.HD13} 0.589 0.030 0.035 {44.HG21 44.HG22 44.HG23 132.HD11 132.HD12 132.HD13} 0.607 0.100 0.111 {44.CG2 44.CG2 44.CG2 132.CD1 132.CD1 132.CD1} 22.165 1.136 1.288 9205.979 7.267 0 0 3727 {?} 1.232 0.048 0.068 {?} 0.558 0.106 0.196 {?} 21.995 1.175 1.644 923.544 50.801 0 0 3728 {?} 0.634 0.037 0.042 {?} 0.291 0.110 0.077 {?} 21.880 0.704 1.097 754.742 20.892 0 0 3729 {149.HD21 149.HD22 149.HD21 149.HD22} 0.585 0.037 0.042 {105.HD11 105.HD11 105.HD13 105.HD13} 0.289 0.110 0.077 {149.CD2 149.CD2 149.CD2 149.CD2} 21.949 0.704 1.097 676.195 20.892 0 0 3730 {?} 0.793 0.037 0.042 {?} 0.243 0.110 0.077 {?} 21.972 0.704 1.097 977.591 20.892 0 0 3731 {149.HD22 149.HD22} 0.585 0.037 0.042 {152.HD11 152.HD13} -0.103 0.110 0.077 {149.CD2 149.CD2} 21.948 0.704 1.097 245.093 20.892 0 0 3732 {?} 0.943 0.037 0.042 {?} -0.359 0.110 0.077 {?} 22.081 0.704 1.097 920.606 20.892 0 0 3733 {?} 1.232 0.068 0.072 {?} -0.431 0.136 0.150 {?} 22.008 0.934 1.071 204.310 4.331 0 0 3734 {?} 0.846 0.068 0.072 {?} 9.334 0.136 0.150 {?} 21.767 0.934 1.071 191.611 4.331 0 0 3735 {?} 0.935 0.068 0.072 {?} 9.267 0.136 0.150 {?} 21.651 0.934 1.071 260.132 4.331 0 0 3736 {?} 1.284 0.019 0.025 {?} 9.146 0.100 0.056 {?} 21.584 0.582 0.831 401.219 27.215 0 0 3737 {140.HG11 140.HG12 140.HG13} 0.789 0.049 0.028 {145.H 145.H 145.H} 9.061 0.041 0.066 {140.CG1 140.CG1 140.CG1} 21.783 1.235 0.903 555.694 4.233 0 0 3738 {?} 1.026 0.037 0.052 {?} 8.759 0.100 0.181 {?} 21.745 1.559 2.010 736.628 5.182 0 0 3739 {154.HG11 154.HG12} 0.787 0.045 0.104 {155.H 155.H} 8.739 0.169 0.242 {154.CG1 154.CG1} 21.705 1.164 2.038 448.817 11.690 0 0 3740 {?} 0.933 0.045 0.104 {?} 8.440 0.169 0.242 {?} 21.677 1.164 2.038 223.998 117.329 0 0 3741 {?} 0.788 0.045 0.104 {?} 8.190 0.169 0.242 {?} 21.750 1.164 2.038 400.858 117.329 0 0 3742 {?} 1.026 0.045 0.104 {?} 8.004 0.169 0.242 {?} 21.750 1.164 2.038 503.557 117.329 0 0 3743 {?} 0.970 0.057 0.082 {?} 7.994 0.074 0.217 {?} 21.596 0.900 1.275 1183.289 6.490 0 0 3744 {?} 0.934 0.045 0.086 {?} 8.019 0.105 0.200 {?} 21.661 0.980 1.925 1272.066 9.019 0 0 3745 {?} 0.849 0.052 0.071 {?} 8.037 0.129 0.213 {?} 21.727 1.127 1.690 416.747 1.726 0 0 3746 {154.HG23} 0.885 0.011 0.021 {153.H} 7.832 0.099 0.087 {154.CG2} 21.648 1.341 1.216 568.980 2.394 0 0 3747 {?} 0.845 0.067 0.222 {?} 7.580 0.132 0.188 {?} 21.656 1.450 2.072 488.699 2.665 0 0 3748 {?} 0.884 0.037 0.052 {?} 7.526 0.091 0.114 {?} 21.629 0.727 2.048 1825.968 6.199 0 0 3749 {95.HG11} 0.789 0.009 0.030 {107.HD22} 7.248 0.091 0.150 {95.CG1} 21.780 0.887 1.523 1380.723 3.931 0 0 3750 {95.HG11 95.HG12 95.HG13} 0.846 0.009 0.032 {107.HD21 107.HD21 107.HD21} 7.184 0.087 0.159 {95.CG1 95.CG1 95.CG1} 21.793 0.973 1.815 263.777 7.393 0 0 3751 {?} 0.933 0.024 0.030 {?} 7.130 0.076 0.101 {?} 21.690 1.087 1.532 967.822 7.068 0 0 3752 {?} 0.788 0.022 0.029 {?} 6.984 0.075 0.110 {?} 21.762 1.049 1.595 227.922 1.844 0 0 3753 {?} 0.936 0.041 0.058 {?} 6.880 0.076 0.137 {?} 21.718 0.896 1.631 514.976 1.936 0 0 3754 {?} 0.938 0.025 0.036 {?} 6.652 0.113 0.083 {?} 21.833 1.237 0.899 344.690 5.177 0 0 3755 {?} 0.883 0.053 0.214 {?} 6.583 0.121 0.173 {?} 21.591 1.211 1.730 361.665 21.554 0 0 3756 {?} 0.882 0.055 0.050 {?} 6.112 0.092 0.080 {?} 21.635 0.749 0.653 123.057 2.787 0 0 3757 {?} 0.930 0.054 0.079 {?} 5.941 0.067 0.101 {?} 21.619 1.287 1.887 219.071 1.799 0 0 3758 {116.HG21} 0.847 0.044 0.031 {115.HA} 5.939 0.131 0.107 {116.CG2} 21.689 1.109 0.883 97.873 6.263 0 0 3759 {?} 0.937 0.010 0.007 {?} 5.236 0.177 0.118 {?} 21.686 0.663 0.468 221.711 16.181 0 0 3760 {56.HD22} 0.787 0.073 0.117 {56.HA} 5.221 0.125 0.250 {56.CD2} 21.669 1.013 3.088 695.897 2.356 0 0 3761 {?} 0.883 0.073 0.117 {?} 5.023 0.125 0.250 {?} 21.619 1.013 3.088 462.849 1.838 0 0 3762 {132.HD13} 0.636 0.084 0.114 {131.HA} 4.944 0.126 0.181 {132.CD1} 21.754 1.385 1.929 160.229 3.003 0 0 3763 {?} 0.937 0.019 0.031 {?} 4.792 0.088 0.169 {?} 21.714 0.674 1.368 763.953 6.103 0 0 3764 {?} 1.027 0.019 0.031 {?} 4.658 0.088 0.169 {?} 21.772 0.674 1.368 281.006 6.103 0 0 3765 {?} 0.891 0.026 0.037 {?} 4.702 0.103 0.147 {?} 21.579 0.839 2.163 228.973 19.907 0 0 3766 {?} 1.284 0.021 0.040 {?} 4.490 0.096 0.237 {?} 21.600 1.016 2.045 958.992 2.199 0 0 3767 {26.HG23 167.HG11 167.HG12 167.HG13} 0.966 0.054 0.081 {25.HA 167.HA 167.HA 167.HA} 4.409 0.100 0.143 {26.CG2 167.CG1 167.CG1 167.CG1} 21.657 1.213 1.733 1297.299 1.500 0 0 3768 {154.HG11} 0.788 0.054 0.081 {156.HD3} 4.235 0.100 0.143 {154.CG1} 21.736 1.213 1.733 618.336 3.013 0 0 3769 {166.HG13} 1.025 0.054 0.081 {166.HA} 4.179 0.100 0.143 {166.CG1} 21.793 1.213 1.733 1880.458 3.013 0 0 3770 {?} 1.167 0.054 0.081 {?} 4.116 0.100 0.143 {?} 21.830 1.213 1.733 2207.989 1.821 0 0 3771 {95.HG12 154.HG12 154.HG22} 0.847 0.054 0.081 {104.HA2 154.HA 154.HA} 4.019 0.100 0.143 {95.CG1 154.CG1 154.CG2} 21.769 1.213 1.733 1813.901 1.821 0 0 3772 {95.HG12 95.HG13 154.HG11 154.HG12} 0.790 0.054 0.081 {104.HA2 104.HA2 154.HA 154.HA} 4.021 0.100 0.143 {95.CG1 95.CG1 154.CG1 154.CG1} 21.751 1.213 1.733 464.334 1.821 0 0 3773 {?} 1.080 0.047 0.067 {?} 3.855 0.160 0.242 {?} 21.591 1.171 1.866 2119.057 12.145 0 0 3774 {113.HG22 140.HG11 140.HG12 140.HG13} 0.788 0.037 0.067 {113.HA 144.HA3 144.HA3 144.HA3} 3.864 0.119 0.175 {113.CG2 140.CG1 140.CG1 140.CG1} 21.812 0.865 2.105 573.486 2.517 0 0 3775 {?} 0.883 0.045 0.064 {?} 3.576 0.106 0.236 {?} 21.605 0.994 1.957 798.600 2.563 0 0 3776 {?} 0.786 0.037 0.052 {?} 3.561 0.134 0.217 {?} 21.680 0.869 1.667 300.372 17.600 0 0 3777 {?} 0.885 0.037 0.052 {?} 3.387 0.134 0.217 {?} 21.599 0.869 1.667 730.123 17.600 0 0 3778 {?} 0.938 0.037 0.052 {?} 3.299 0.134 0.217 {?} 21.687 0.869 1.667 324.983 17.600 0 0 3779 {?} 0.965 0.047 0.067 {?} 3.041 0.127 0.190 {?} 21.673 1.203 1.948 815.060 2.780 0 0 3780 {?} 0.932 0.019 0.020 {?} 3.037 0.073 0.076 {?} 21.661 0.558 0.582 979.739 219.346 0 0 3781 {154.HG11 154.HG12 154.HG13} 0.788 0.021 0.031 {115.HB2 115.HB2 115.HB2} 3.033 0.167 0.216 {154.CG1 154.CG1 154.CG1} 21.665 0.847 1.456 755.635 55.979 0 0 3782 {?} 0.931 0.021 0.031 {?} 2.878 0.167 0.216 {?} 21.644 0.847 1.456 905.348 55.979 0 0 3783 {154.HG11} 0.845 0.103 0.279 {115.HB3} 2.866 0.114 0.163 {154.CG1} 21.711 1.267 1.810 830.481 1.916 0 0 3784 {?} 0.788 0.050 0.211 {?} 2.825 0.102 0.348 {?} 21.685 1.164 1.663 1086.250 2.330 0 0 3785 {166.HG11 166.HG13} 1.026 0.050 0.211 {157.HG2 157.HG2} 2.734 0.102 0.348 {166.CG1 166.CG1} 21.746 1.164 1.663 396.794 7.377 0 0 3786 {132.HD11 132.HD13} 0.635 0.050 0.211 {103.HB3 103.HB3} 2.603 0.102 0.348 {132.CD1 132.CD1} 21.609 1.164 1.663 262.073 8.247 0 0 3787 {166.HG11 166.HG13} 1.025 0.034 0.028 {157.HG3 157.HG3} 2.338 0.129 0.108 {166.CG1 166.CG1} 21.777 1.153 1.018 1272.671 114.284 0 0 3788 {132.HD11 132.HD12 132.HD13} 0.633 0.051 0.051 {132.HB2 132.HB2 132.HB2} 2.303 0.044 0.044 {132.CD1 132.CD1 132.CD1} 21.688 0.604 1.332 1027.377 5.160 0 0 3789 {167.HG11 167.HG12 167.HG13} 0.966 0.053 0.042 {167.HB 167.HB 167.HB} 2.216 0.146 0.112 {167.CG1 167.CG1 167.CG1} 21.659 1.210 0.918 1312.732 6.960 0 0 3790 {29.HG21 29.HG22 29.HG23} 1.080 0.053 0.042 {29.HB 29.HB 29.HB} 2.141 0.146 0.112 {29.CG2 29.CG2 29.CG2} 21.637 1.210 0.918 870.335 21.420 0 0 3791 {75.HG22} 0.883 0.053 0.042 {75.HB} 2.088 0.146 0.112 {75.CG2} 21.658 1.210 0.918 2504.799 21.420 0 0 3792 {56.HD23 95.HG13 113.HG21 113.HG22 113.HG23 140.HG11 140.HG12} 0.790 0.053 0.042 {56.HB3 95.HB 113.HB 113.HB 113.HB 140.HB 140.HB} 2.119 0.146 0.112 {56.CD2 95.CG1 113.CG2 113.CG2 113.CG2 140.CG1 140.CG1} 21.827 1.210 0.918 2313.574 21.420 0 0 3793 {166.HG11 166.HG12} 1.025 0.053 0.042 {166.HB 166.HB} 2.043 0.146 0.112 {166.CG1 166.CG1} 21.759 1.210 0.918 3679.835 3.955 0 0 3794 {26.HG21 26.HG23 75.HG21 75.HG23 166.HG11 166.HG12} 0.971 0.045 0.078 {26.HB 26.HB 164.HE2 164.HE2 166.HB 166.HB} 2.048 0.125 0.190 {26.CG2 26.CG2 75.CG2 75.CG2 166.CG1 166.CG1} 21.595 0.847 1.336 7467.354 12.035 0 0 3795 {?} 1.966 0.045 0.078 {?} 1.989 0.125 0.190 {?} 21.537 0.847 1.336 63.409 12.035 0 0 3796 {?} 0.787 0.045 0.078 {?} 1.699 0.125 0.190 {?} 21.688 0.847 1.336 1538.839 12.035 0 0 3797 {132.HD11 132.HD12 132.HD13} 0.635 0.024 0.020 {132.HB3 132.HB3 132.HB3} 1.698 0.170 0.138 {132.CD1 132.CD1 132.CD1} 21.814 0.855 0.679 998.291 2.220 0 0 3798 {?} 0.964 0.046 0.015 {?} 1.673 0.102 0.032 {?} 21.667 0.762 0.235 2477.587 8.992 0 0 3799 {?} 0.936 0.034 0.023 {?} 1.615 0.167 0.106 {?} 21.764 1.147 0.659 2782.574 9.640 0 0 3800 {154.HG21} 0.881 0.034 0.023 {105.HB2} 1.494 0.167 0.106 {154.CG2} 21.637 1.147 0.659 1900.902 9.640 0 0 3801 {154.HG21} 0.846 0.034 0.023 {105.HB2} 1.517 0.167 0.106 {154.CG2} 21.694 1.147 0.659 4476.795 9.640 0 0 3802 {?} 0.937 0.034 0.009 {?} 1.258 0.129 0.035 {?} 21.786 0.714 0.189 4636.886 10.958 0 0 3803 {?} 1.080 0.038 0.030 {?} 1.096 0.101 0.082 {?} 21.607 0.982 0.801 39091.016 1.869 0 0 3804 {?} 0.791 0.013 0.014 {?} 1.028 0.116 0.050 {?} 21.768 0.869 0.378 19642.361 1.895 0 0 3805 {?} 2.027 0.019 0.030 {?} 0.961 0.119 0.079 {?} 21.669 1.171 0.776 975.397 7.763 0 0 3806 {75.HG21 75.HG22 75.HG23 166.HG11 166.HG12 166.HG13} 0.967 0.036 0.056 {75.HG21 75.HG22 75.HG23 166.HG11 166.HG12 166.HG13} 0.979 0.118 0.153 {75.CG2 75.CG2 75.CG2 166.CG1 166.CG1 166.CG1} 21.585 1.296 1.565 93985.477 1.980 0 0 3807 {26.HG21 26.HG22 26.HG23 75.HG21 75.HG22 75.HG23 166.HG11 166.HG12 166.HG13 167.HG11 167.HG12 167.HG13} 0.938 0.046 0.026 {26.HG21 26.HG22 26.HG23 75.HG21 75.HG22 75.HG23 166.HG11 166.HG12 166.HG13 167.HG11 167.HG12 167.HG13} 0.955 0.108 0.057 {26.CG2 26.CG2 26.CG2 75.CG2 75.CG2 75.CG2 166.CG1 166.CG1 166.CG1 167.CG1 167.CG1 167.CG1} 21.728 0.389 0.452 94152.039 3.434 0 0 3808 {26.HG11 26.HG12 26.HG13 26.HG21 26.HG22 26.HG23 154.HG21 154.HG22 154.HG23 167.HG11 167.HG12 167.HG13} 0.884 0.046 0.025 {26.HG11 26.HG12 26.HG13 26.HG21 26.HG22 26.HG23 154.HG21 154.HG22 154.HG23 167.HG11 167.HG12 167.HG13} 0.899 0.098 0.034 {26.CG1 26.CG1 26.CG1 26.CG2 26.CG2 26.CG2 154.CG2 154.CG2 154.CG2 167.CG1 167.CG1 167.CG1} 21.517 1.424 0.521 50065.277 2.108 0 0 3809 {95.HG11 95.HG12 95.HG13 113.HG21 113.HG22 113.HG23 154.HG11 154.HG12 154.HG13} 0.789 0.040 0.017 {95.HG11 95.HG12 95.HG13 113.HG21 113.HG22 113.HG23 154.HG11 154.HG12 154.HG13} 0.801 0.113 0.040 {95.CG1 95.CG1 95.CG1 113.CG2 113.CG2 113.CG2 154.CG1 154.CG1 154.CG1} 21.781 1.057 0.369 21096.074 4.709 0 0 3810 {?} 0.883 0.040 0.017 {?} 0.567 0.113 0.040 {?} 21.610 1.057 0.369 4700.030 4.709 0 0 3811 {?} 1.026 0.081 0.038 {?} 0.543 0.080 0.149 {?} 21.775 1.382 1.169 869.576 1.855 0 0 3812 {?} 0.973 0.067 0.103 {?} 0.353 0.152 0.190 {?} 21.535 1.001 1.367 1746.580 3.133 0 0 3813 {154.HG21} 0.930 0.045 0.062 {105.HD11} 0.299 0.149 0.220 {154.CG2} 21.596 1.176 1.588 1751.430 3.271 0 0 3814 {154.HG13 154.HG21} 0.846 0.065 0.039 {105.HD11 105.HD11} 0.290 0.101 0.159 {154.CG1 154.CG2} 21.633 1.476 0.912 2001.045 10.641 0 0 3815 {?} 1.084 0.050 0.075 {?} 0.027 0.044 0.187 {?} 21.617 1.297 1.872 280.574 1.964 0 0 3816 {154.HG21 154.HG23} 0.931 0.024 0.035 {152.HD11 152.HD11} -0.107 0.153 0.099 {154.CG2 154.CG2} 21.629 1.656 1.132 278.957 2.660 0 0 3817 {154.HG21 154.HG23} 0.848 0.025 0.024 {152.HD11 152.HD11} -0.098 0.075 0.071 {154.CG2 154.CG2} 21.696 1.309 1.194 580.613 1.700 0 0 3818 {?} 1.024 0.083 0.113 {?} -0.362 0.159 0.241 {?} 21.812 1.142 2.167 153.483 6.292 0 0 3819 {?} 1.079 0.037 0.052 {?} -0.472 0.062 0.182 {?} 21.719 0.765 0.976 42.889 5.601 0 0 3820 {?} 1.080 0.051 0.088 {?} -0.738 0.115 0.291 {?} 21.697 1.061 1.515 54.213 6.387 0 0 3821 {?} 0.950 0.040 0.034 {?} -0.746 0.117 0.073 {?} 21.721 1.039 0.644 17.767 11.177 0 0 3822 {?} 1.005 0.040 0.034 {?} 9.723 0.117 0.073 {?} 20.912 1.039 0.644 148.033 11.177 0 0 3823 {?} 0.633 0.040 0.034 {?} 8.763 0.117 0.073 {?} 21.081 1.039 0.644 748.861 11.177 0 0 3824 {?} 1.069 0.030 0.021 {?} 8.410 0.125 0.060 {?} 20.754 1.130 0.560 208.586 2.943 0 0 3825 {?} 1.068 0.060 0.127 {?} 7.670 0.117 0.209 {?} 20.823 1.338 1.937 262.303 12.783 0 0 3826 {?} 0.632 0.048 0.072 {?} 7.423 0.143 0.191 {?} 21.155 1.163 1.661 466.849 5.204 0 0 3827 {?} 0.632 0.036 0.042 {?} 7.101 0.131 0.144 {?} 21.176 0.906 1.002 1013.224 9.921 0 0 3828 {?} 0.632 0.021 0.010 {?} 4.628 0.129 0.048 {?} 21.090 0.837 0.317 342.166 18.910 0 0 3829 {29.HG11 29.HG13 29.HG21 29.HG22} 1.005 0.044 0.070 {29.HA 29.HA 29.HA 29.HA} 3.857 0.090 0.151 {29.CG1 29.CG1 29.CG2 29.CG2} 20.931 1.047 1.527 659.342 6.160 0 0 3830 {75.HG11 75.HG13} 0.632 0.044 0.070 {75.HA 75.HA} 3.859 0.090 0.151 {75.CG1 75.CG1} 21.091 1.047 1.527 726.447 6.160 0 0 3831 {?} 0.632 0.052 0.103 {?} 3.040 0.105 0.181 {?} 21.138 0.950 2.174 45.276 16.681 0 0 3832 {16.HG11 16.HG12 16.HG13} 1.071 0.013 0.029 {14.HB3 14.HB3 14.HB3} 2.437 0.139 0.134 {16.CG1 16.CG1 16.CG1} 21.012 1.604 1.567 393.486 4.828 0 0 3833 {29.HG12 29.HG13 29.HG23} 1.005 0.047 0.067 {29.HB 29.HB 29.HB} 2.123 0.109 0.155 {29.CG1 29.CG1 29.CG2} 20.948 1.278 1.826 6319.052 3.209 0 0 3834 {75.HG11 75.HG12 75.HG13} 0.632 0.058 0.082 {75.HB 75.HB 75.HB} 2.111 0.114 0.234 {75.CG1 75.CG1 75.CG1} 21.093 1.172 1.674 968.576 3.393 0 0 3835 {?} 2.121 0.058 0.186 {?} 1.018 0.192 0.327 {?} 20.926 0.935 2.293 1929.687 2.930 0 0 3836 {29.HG21 29.HG22 29.HG23} 1.004 0.028 0.042 {29.HG21 29.HG22 29.HG23} 1.018 0.150 0.095 {29.CG2 29.CG2 29.CG2} 20.910 0.972 0.580 172374.141 2.629 0 0 3837 {75.HG11 75.HG12} 0.632 0.028 0.019 {75.HG23 75.HG23} 0.961 0.146 0.082 {75.CG1 75.CG1} 21.106 1.072 0.596 7033.777 9.959 0 0 3838 {?} 2.117 0.047 0.067 {?} 0.655 0.121 0.173 {?} 21.077 1.354 1.853 135.902 8.769 0 0 3839 {75.HG11 75.HG12 75.HG13} 0.632 0.067 0.071 {75.HG11 75.HG12 75.HG13} 0.641 0.143 0.160 {75.CG1 75.CG1 75.CG1} 21.256 1.259 1.343 12230.799 2.214 0 0 3840 {75.HG12} 0.632 0.034 0.038 {159.HG11} -0.353 0.115 0.164 {75.CG1} 21.054 0.825 1.911 528.357 2.775 0 0 3841 {?} 1.476 0.053 0.055 {?} 9.729 0.120 0.125 {?} 20.518 1.155 1.204 22.310 1.863 0 0 3842 {?} 0.831 0.066 0.171 {?} 9.636 0.182 0.255 {?} 20.408 1.092 2.220 199.805 3.868 0 0 3843 {?} 1.001 0.054 0.112 {?} 9.141 0.073 0.264 {?} 20.389 1.051 2.154 1136.238 3.176 0 0 3844 {127.HG21} 0.963 0.034 0.049 {127.H} 9.088 0.068 0.176 {127.CG2} 20.234 0.836 0.944 1099.450 3.321 0 0 3845 {?} 1.067 0.026 0.037 {?} 8.766 0.114 0.107 {?} 20.703 0.939 0.883 826.551 8.900 0 0 3846 {?} 0.831 0.021 0.033 {?} 8.753 0.053 0.089 {?} 20.412 1.195 0.901 1011.135 3.328 0 0 3847 {?} 1.477 0.021 0.033 {?} 7.854 0.053 0.089 {?} 20.577 1.195 0.901 842.510 3.328 0 0 3848 {38.HB1 38.HB3} 1.477 0.026 0.037 {39.H 39.H} 7.590 0.112 0.091 {38.CB 38.CB} 20.571 0.905 0.735 477.008 5.103 0 0 3849 {?} 1.001 0.028 0.019 {?} 7.471 0.105 0.059 {?} 20.422 0.952 0.532 605.598 1.727 0 0 3850 {?} 1.516 0.037 0.052 {?} 7.416 0.192 0.274 {?} 20.375 0.874 2.366 642.940 1.829 0 0 3851 {16.HG11} 1.068 0.009 0.019 {14.H} 7.367 0.109 0.212 {16.CG1} 20.722 0.800 2.199 397.315 11.422 0 0 3852 {?} 1.476 0.058 0.082 {?} 7.120 0.116 0.177 {?} 20.588 1.069 2.067 62.481 2.421 0 0 3853 {?} 1.000 0.058 0.082 {?} 7.048 0.105 0.150 {?} 20.416 1.141 1.631 723.868 2.857 0 0 3854 {?} 1.478 0.028 0.021 {?} 6.630 0.063 0.044 {?} 20.578 0.869 0.597 32.700 6.445 0 0 3855 {?} 1.004 0.028 0.021 {?} 6.643 0.063 0.044 {?} 20.528 0.869 0.597 70.968 6.445 0 0 3856 {16.HG11 16.HG12 16.HG13} 1.068 0.052 0.112 {11.HD1 11.HD1 11.HD1} 6.591 0.126 0.181 {16.CG1 16.CG1 16.CG1} 20.690 1.401 2.001 160.154 3.796 0 0 3857 {?} 1.066 0.023 0.030 {?} 6.259 0.154 0.198 {?} 20.722 0.813 1.148 59.258 23.651 0 0 3858 {?} 0.956 0.065 0.097 {?} 6.245 0.152 0.203 {?} 20.255 1.456 1.823 124.664 6.404 0 0 3859 {?} 1.002 0.055 0.134 {?} 6.201 0.095 0.290 {?} 20.391 0.666 2.281 14.878 3.292 0 0 3860 {?} 1.476 0.053 0.188 {?} 6.113 0.133 0.261 {?} 20.584 1.208 1.975 150.248 1.575 0 0 3861 {127.HG21 127.HG22} 1.004 0.017 0.022 {128.HA 128.HA} 5.888 0.089 0.118 {127.CG2 127.CG2} 20.407 0.963 1.291 95.168 6.676 0 0 3862 {127.HG21 127.HG21} 1.000 0.015 0.027 {126.HA 139.HA} 5.508 0.066 0.125 {127.CG2 127.CG2} 20.386 1.536 1.241 81.636 7.110 0 0 3863 {?} 1.477 0.015 0.027 {?} 5.433 0.066 0.125 {?} 20.589 1.536 1.241 212.079 7.110 0 0 3864 {38.HB1 38.HB3} 1.515 0.055 0.090 {39.HA 39.HA} 5.099 0.122 0.190 {38.CB 38.CB} 20.416 0.401 1.569 23.449 2.147 0 0 3865 {167.HG22} 0.831 0.025 0.072 {160.HA} 4.916 0.117 0.186 {167.CG2} 20.348 1.454 2.104 129.927 14.190 0 0 3866 {?} 1.477 0.025 0.072 {?} 4.714 0.117 0.186 {?} 20.574 1.454 2.104 306.620 14.190 0 0 3867 {127.HG21 127.HG22 127.HG23} 1.001 0.025 0.072 {127.HA 127.HA 127.HA} 4.736 0.117 0.186 {127.CG2 127.CG2 127.CG2} 20.456 1.454 2.104 125.502 14.190 0 0 3868 {16.HG11 16.HG12 16.HG13} 1.067 0.025 0.072 {11.HA 11.HA 11.HA} 4.521 0.117 0.186 {16.CG1 16.CG1 16.CG1} 20.698 1.454 2.104 272.122 14.190 0 0 3869 {38.HB1 38.HB2 38.HB3} 1.516 0.025 0.072 {38.HA 38.HA 38.HA} 4.389 0.117 0.186 {38.CB 38.CB 38.CB} 20.367 1.454 2.104 641.867 14.190 0 0 3870 {167.HG21 167.HG23} 0.831 0.042 0.102 {167.HA 167.HA} 4.402 0.107 0.153 {167.CG2 167.CG2} 20.406 1.130 2.053 846.921 21.275 0 0 3871 {16.HG12} 1.067 0.020 0.025 {148.HA} 4.186 0.115 0.190 {16.CG1} 20.706 0.982 1.349 548.323 19.966 0 0 3872 {?} 1.478 0.020 0.025 {?} 4.061 0.115 0.190 {?} 20.586 0.982 1.349 672.810 19.966 0 0 3873 {?} 1.477 0.020 0.025 {?} 3.776 0.115 0.190 {?} 20.579 0.982 1.349 454.029 19.966 0 0 3874 {?} 1.515 0.045 0.032 {?} 3.657 0.128 0.084 {?} 20.362 0.904 0.611 619.754 9.082 0 0 3875 {?} 1.477 0.045 0.032 {?} 3.574 0.128 0.084 {?} 20.583 0.904 0.611 365.108 9.082 0 0 3876 {?} 1.477 0.045 0.032 {?} 3.388 0.128 0.084 {?} 20.586 0.904 0.611 593.886 9.082 0 0 3877 {16.HG12} 1.007 0.030 0.019 {148.HB3} 3.351 0.121 0.050 {16.CG1} 20.593 1.215 0.507 97.921 3.183 0 0 3878 {16.HG11 16.HG13 16.HG12} 1.067 0.043 0.074 {14.HB2 14.HB2 148.HB3} 3.313 0.126 0.174 {16.CG1 16.CG1 16.CG1} 20.731 0.288 0.886 586.971 8.931 0 0 3879 {?} 0.831 0.043 0.074 {?} 3.040 0.126 0.174 {?} 20.427 0.288 0.886 450.183 8.931 0 0 3880 {?} 1.478 0.043 0.074 {?} 2.594 0.126 0.174 {?} 20.575 0.288 0.886 55.826 8.931 0 0 3881 {?} 1.001 0.052 0.132 {?} 2.540 0.103 0.196 {?} 20.452 1.127 1.997 180.894 4.170 0 0 3882 {38.HB1 38.HB3 38.HB1 38.HB3} 1.515 0.052 0.132 {39.HG2 39.HG2 39.HG3 39.HG3} 2.490 0.103 0.196 {38.CB 38.CB 38.CB 38.CB} 20.358 1.127 1.997 332.986 9.737 0 0 3883 {167.HG21 167.HG22 167.HG23} 0.831 0.052 0.132 {160.HB3 160.HB3 160.HB3} 2.413 0.103 0.196 {167.CG2 167.CG2 167.CG2} 20.426 1.127 1.997 183.660 9.737 0 0 3884 {?} 1.476 0.052 0.132 {?} 2.282 0.103 0.196 {?} 20.542 1.127 1.997 383.274 5.203 0 0 3885 {38.HB1} 1.517 0.074 0.117 {39.HB2} 2.105 0.150 0.230 {38.CB} 20.282 1.167 2.011 181.629 3.312 0 0 3886 {38.HB1} 1.477 0.073 0.187 {39.HB2} 2.060 0.125 0.200 {38.CB} 20.607 1.201 1.971 66.722 4.789 0 0 3887 {16.HG11 16.HG12 16.HG13} 1.067 0.073 0.187 {16.HB 16.HB 16.HB} 1.925 0.125 0.200 {16.CG1 16.CG1 16.CG1} 20.714 1.201 1.971 609.959 4.789 0 0 3888 {127.HG21 127.HG22 127.HG23} 1.002 0.073 0.187 {127.HB 127.HB 127.HB} 1.739 0.125 0.200 {127.CG2 127.CG2 127.CG2} 20.484 1.201 1.971 1220.838 4.789 0 0 3889 {?} 1.477 0.073 0.187 {?} 1.185 0.125 0.200 {?} 20.473 1.201 1.971 72.988 4.096 0 0 3890 {?} 1.516 0.073 0.187 {?} 1.111 0.125 0.200 {?} 20.337 1.201 1.971 353.859 8.068 0 0 3891 {?} 1.477 0.026 0.038 {?} 0.894 0.108 0.160 {?} 20.567 1.118 1.697 537.373 5.891 0 0 3892 {?} 2.219 0.038 0.031 {?} 0.842 0.142 0.118 {?} 20.310 1.105 0.894 270.862 2.817 0 0 3893 {?} 1.476 0.038 0.031 {?} 0.624 0.142 0.118 {?} 20.569 1.105 0.894 83.294 2.817 0 0 3894 {?} 1.514 0.038 0.031 {?} 0.351 0.142 0.118 {?} 20.251 1.105 0.894 18.719 2.817 0 0 3895 {?} 1.477 0.027 0.015 {?} 0.290 0.109 0.056 {?} 20.550 1.348 0.738 21.544 5.668 0 0 3896 {16.HG12 16.HG13 16.HG11 16.HG12 16.HG13 16.HG12 16.HG13} 1.067 0.022 0.008 {16.HG21 16.HG21 16.HG22 16.HG22 16.HG22 16.HG23 16.HG23} 0.241 0.119 0.033 {16.CG1 16.CG1 16.CG1 16.CG1 16.CG1 16.CG1 16.CG1} 20.702 1.414 0.435 215.178 3.882 0 0 3897 {?} 0.830 0.020 0.028 {?} -0.351 0.106 0.071 {?} 20.416 1.373 0.922 76.167 27.985 0 0 3898 {16.HG21 16.HG22 16.HG23} 0.224 0.043 0.061 {145.H 145.H 145.H} 9.078 0.178 0.194 {16.CG2 16.CG2 16.CG2} 19.917 1.143 1.355 116.658 9.396 0 0 3899 {?} 0.225 0.030 0.018 {?} 8.767 0.038 0.043 {?} 19.907 0.769 0.398 244.602 2.429 0 0 3900 {?} 0.227 0.045 0.070 {?} 8.434 0.095 0.158 {?} 19.921 1.080 1.777 240.906 6.178 0 0 3901 {16.HG21 16.HG22 16.HG23} 0.230 0.045 0.070 {18.H 18.H 18.H} 7.753 0.095 0.158 {16.CG2 16.CG2 16.CG2} 19.953 1.080 1.777 20.254 6.178 0 0 3902 {?} 0.224 0.045 0.070 {?} 7.390 0.095 0.158 {?} 19.926 1.080 1.777 232.007 6.178 0 0 3903 {?} 0.228 0.041 0.051 {?} 7.091 0.096 0.120 {?} 19.908 0.808 1.007 81.803 2.310 0 0 3904 {?} 0.964 0.062 0.079 {?} 6.592 0.134 0.206 {?} 20.168 0.854 1.162 199.140 8.319 0 0 3905 {16.HG21 16.HG22 16.HG23} 0.225 0.062 0.079 {11.HD1 11.HD1 11.HD1} 6.588 0.134 0.206 {16.CG2 16.CG2 16.CG2} 19.908 0.854 1.162 205.734 8.319 0 0 3906 {?} 0.226 0.044 0.032 {?} 6.259 0.112 0.085 {?} 19.938 0.485 0.813 97.870 8.508 0 0 3907 {127.HG21 127.HG22 140.HG23} 0.960 0.044 0.032 {128.HA 128.HA 128.HA} 5.865 0.112 0.085 {127.CG2 127.CG2 140.CG2} 20.165 0.485 0.813 67.711 8.508 0 0 3908 {140.HG23} 0.960 0.043 0.035 {139.HA} 5.479 0.179 0.120 {140.CG2} 20.171 0.969 0.767 344.944 5.146 0 0 3909 {16.HG21 16.HG22 16.HG23} 0.224 0.043 0.035 {18.HA 18.HA 18.HA} 5.388 0.179 0.120 {16.CG2 16.CG2 16.CG2} 19.921 0.969 0.767 21.403 5.146 0 0 3910 {140.HG21 140.HG22 140.HG23} 0.963 0.057 0.060 {140.HA 140.HA 140.HA} 4.774 0.135 0.142 {140.CG2 140.CG2 140.CG2} 20.202 1.414 1.482 297.773 7.914 0 0 3911 {16.HG23} 0.228 0.074 0.157 {140.HA} 4.768 0.111 0.175 {16.CG2} 19.892 0.897 1.615 85.508 3.561 0 0 3912 {16.HG22 16.HG21 16.HG23} 0.225 0.052 0.071 {11.HA 17.HA 17.HA} 4.534 0.106 0.163 {16.CG2 16.CG2 16.CG2} 19.877 1.202 1.930 260.935 4.251 0 0 3913 {16.HG22 16.HG22} 0.225 0.026 0.013 {145.HA 148.HA} 4.177 0.206 0.102 {16.CG2 16.CG2} 19.922 0.976 0.517 352.068 14.504 0 0 3914 {16.HG21} 0.225 0.026 0.013 {16.HA} 3.810 0.206 0.102 {16.CG2} 19.900 0.976 0.517 633.029 14.504 0 0 3915 {16.HG22} 0.224 0.026 0.013 {148.HB3} 3.326 0.206 0.102 {16.CG2} 19.925 0.976 0.517 199.044 14.504 0 0 3916 {16.HG21 16.HG23 16.HG21 16.HG22 16.HG23} 0.224 0.026 0.013 {17.HB2 17.HB2 18.HB2 18.HB2 18.HB2} 2.647 0.206 0.102 {16.CG2 16.CG2 16.CG2 16.CG2 16.CG2} 19.908 0.976 0.517 97.257 14.504 0 0 3917 {16.HG21 16.HG22} 0.226 0.026 0.013 {147.HB2 147.HB2} 2.120 0.206 0.102 {16.CG2 16.CG2} 19.911 0.976 0.517 452.550 14.504 0 0 3918 {16.HG21 16.HG22 16.HG23} 0.226 0.026 0.013 {16.HB 16.HB 16.HB} 1.927 0.206 0.102 {16.CG2 16.CG2 16.CG2} 19.907 0.976 0.517 478.238 14.504 0 0 3919 {38.HB1 38.HB2 38.HB3} 1.522 0.020 0.023 {38.HB1 38.HB2 38.HB3} 1.536 0.120 0.171 {38.CB 38.CB 38.CB} 19.975 0.778 0.888 32236.684 5.632 0 0 3920 {?} 0.223 0.031 0.049 {?} 1.405 0.053 0.274 {?} 19.874 0.838 1.234 72.080 4.441 0 0 3921 {16.HG22 16.HG22} 0.225 0.031 0.049 {16.HG12 16.HG13} 1.072 0.053 0.274 {16.CG2 16.CG2} 19.918 0.838 1.234 1321.200 4.441 0 0 3922 {?} 0.225 0.044 0.049 {?} 0.803 0.100 0.111 {?} 19.909 1.016 1.132 534.670 17.114 0 0 3923 {16.HG21 16.HG22 16.HG23} 0.225 0.044 0.049 {16.HG21 16.HG22 16.HG23} 0.239 0.100 0.111 {16.CG2 16.CG2 16.CG2} 19.901 1.016 1.132 4409.929 17.114 0 0 3924 {?} 1.257 0.036 0.031 {?} 9.319 0.112 0.095 {?} 19.316 1.591 1.395 2.448 8.303 0 0 3925 {?} -0.369 0.013 0.026 {?} 9.316 0.060 0.116 {?} 19.235 0.442 0.864 40.958 9.326 0 0 3926 {?} 1.529 0.013 0.026 {?} 8.714 0.060 0.116 {?} 19.548 0.442 0.864 293.718 9.326 0 0 3927 {?} 1.259 0.029 0.069 {?} 8.748 0.154 0.227 {?} 19.357 0.788 1.778 86.237 3.725 0 0 3928 {?} -0.367 0.042 0.025 {?} 8.749 0.116 0.066 {?} 19.312 1.117 0.637 205.214 2.960 0 0 3929 {?} 1.258 0.024 0.034 {?} 8.394 0.107 0.100 {?} 19.351 0.883 0.292 171.541 22.934 0 0 3930 {?} -0.366 0.051 0.038 {?} 8.405 0.096 0.080 {?} 19.308 0.986 0.822 78.101 10.622 0 0 3931 {?} 1.529 0.022 0.015 {?} 8.287 0.097 0.069 {?} 19.551 1.058 0.759 668.433 13.203 0 0 3932 {?} -0.367 0.022 0.015 {?} 8.127 0.097 0.069 {?} 19.280 1.058 0.759 196.102 13.203 0 0 3933 {?} 1.259 0.030 0.026 {?} 7.992 0.087 0.075 {?} 19.365 1.140 0.985 459.607 10.946 0 0 3934 {?} 1.530 0.026 0.012 {?} 7.749 0.084 0.034 {?} 19.567 0.440 0.397 735.071 4.486 0 0 3935 {?} 1.259 0.026 0.012 {?} 7.733 0.084 0.034 {?} 19.361 0.440 0.397 1030.422 4.486 0 0 3936 {159.HG13} -0.366 0.026 0.012 {165.H} 7.598 0.084 0.034 {159.CG1} 19.352 0.440 0.397 125.344 4.486 0 0 3937 {?} -0.367 0.026 0.012 {?} 7.080 0.084 0.034 {?} 19.311 0.440 0.397 175.595 4.486 0 0 3938 {?} -0.370 0.026 0.012 {?} 6.876 0.084 0.034 {?} 19.367 0.440 0.397 38.891 4.486 0 0 3939 {?} 1.531 0.026 0.012 {?} 5.568 0.084 0.034 {?} 19.563 0.440 0.397 355.453 4.486 0 0 3940 {159.HG12} -0.367 0.026 0.012 {118.HA} 5.155 0.084 0.034 {159.CG1} 19.364 0.440 0.397 28.169 4.486 0 0 3941 {163.HB1 163.HB2} 1.254 0.026 0.012 {160.HA 160.HA} 4.902 0.084 0.034 {163.CB 163.CB} 19.369 0.440 0.397 73.402 4.486 0 0 3942 {159.HG12 159.HG13} -0.366 0.026 0.012 {160.HA 160.HA} 4.910 0.084 0.034 {159.CG1 159.CG1} 19.523 0.440 0.397 45.968 4.486 0 0 3943 {159.HG11 159.HG12 159.HG13} -0.368 0.026 0.012 {165.HA 165.HA 165.HA} 4.624 0.084 0.034 {159.CG1 159.CG1 159.CG1} 19.359 0.440 0.397 8.304 4.486 0 0 3944 {?} 1.260 0.026 0.012 {?} 4.475 0.084 0.034 {?} 19.366 0.440 0.397 287.407 4.486 0 0 3945 {159.HG11 159.HG12 159.HG13} -0.367 0.026 0.012 {159.HA 159.HA 159.HA} 4.284 0.084 0.034 {159.CG1 159.CG1 159.CG1} 19.350 0.440 0.397 240.849 4.486 0 0 3946 {52.HB2} 1.530 0.034 0.003 {52.HA} 4.203 0.088 0.007 {52.CB} 19.550 1.590 0.133 2436.438 6.723 0 0 3947 {163.HB1 163.HB3} 1.259 0.034 0.003 {163.HA 163.HA} 4.188 0.088 0.007 {163.CB 163.CB} 19.354 1.590 0.133 1793.366 6.723 0 0 3948 {159.HG12 159.HG13} -0.367 0.034 0.003 {161.HA 166.HA} 4.151 0.088 0.007 {159.CG1 159.CG1} 19.351 1.590 0.133 267.302 6.723 0 0 3949 {163.HB2} 1.258 0.034 0.003 {164.HA} 3.904 0.088 0.007 {163.CB} 19.377 1.590 0.133 127.746 6.723 0 0 3950 {159.HG12 159.HG13} -0.367 0.034 0.003 {164.HA 164.HA} 3.905 0.088 0.007 {159.CG1 159.CG1} 19.352 1.590 0.133 132.232 6.723 0 0 3951 {52.HB3} 1.529 0.025 0.022 {79.HA3} 3.462 0.129 0.106 {52.CB} 19.574 0.978 0.818 380.303 32.897 0 0 3952 {159.HG12} -0.364 0.025 0.016 {161.HB2} 3.372 0.149 0.073 {159.CG1} 19.391 1.028 0.522 16.366 69.424 0 0 3953 {52.HB3} 1.530 0.046 0.082 {51.HB2} 3.041 0.139 0.199 {52.CB} 19.563 1.197 2.046 455.489 81.021 0 0 3954 {159.HG13} -0.366 0.067 0.077 {160.HB2} 3.023 0.123 0.142 {159.CG1} 19.355 1.044 1.224 75.023 26.531 0 0 3955 {163.HB1 163.HB2 163.HB3} 1.259 0.067 0.077 {160.HB2 160.HB2 160.HB2} 3.000 0.123 0.142 {163.CB 163.CB 163.CB} 19.337 1.044 1.224 307.116 26.531 0 0 3956 {163.HB1 163.HB2} 1.260 0.067 0.077 {160.HB3 160.HB3} 2.405 0.123 0.142 {163.CB 163.CB} 19.348 1.044 1.224 323.732 26.531 0 0 3957 {159.HG13} -0.367 0.043 0.063 {160.HB3} 2.374 0.109 0.144 {159.CG1} 19.325 1.061 1.490 72.275 37.832 0 0 3958 {163.HB2 163.HB3} 1.259 0.049 0.056 {165.HG3 165.HG3} 2.164 0.095 0.108 {163.CB 163.CB} 19.369 0.924 1.059 521.501 2.192 0 0 3959 {159.HG11 159.HG12} -0.366 0.027 0.020 {75.HB 75.HB} 2.107 0.094 0.064 {159.CG1 159.CG1} 19.352 1.152 0.785 69.975 3.885 0 0 3960 {?} 1.259 0.037 0.052 {?} 1.956 0.129 0.107 {?} 19.362 1.431 1.134 268.807 20.846 0 0 3961 {163.HB1 163.HB3} 1.258 0.055 0.142 {162.HB1 165.HB3} 1.635 0.146 0.242 {163.CB 163.CB} 19.362 1.176 1.909 582.724 82.274 0 0 3962 {?} -0.369 0.026 0.037 {?} 1.623 0.162 0.085 {?} 19.434 1.158 0.666 311.785 83.793 0 0 3963 {163.HB1 163.HB2 163.HB3} 1.259 0.037 0.037 {163.HB1 163.HB2 163.HB3} 1.277 0.135 0.135 {163.CB 163.CB 163.CB} 19.351 1.207 1.213 10625.580 70.090 0 0 3964 {?} -0.367 0.037 0.037 {?} 1.242 0.135 0.135 {?} 19.320 1.207 1.213 56.127 70.090 0 0 3965 {?} 2.304 0.037 0.037 {?} 1.029 0.135 0.135 {?} 19.345 1.207 1.213 0.437 70.090 0 0 3966 {?} 1.258 0.018 0.029 {?} 0.954 0.128 0.077 {?} 19.319 0.893 0.534 106.212 35.138 0 0 3967 {159.HG11 159.HG12 159.HG13} -0.367 0.025 0.016 {159.HB 159.HB 159.HB} 0.979 0.163 0.038 {159.CG1 159.CG1 159.CG1} 19.324 1.523 0.337 875.022 18.048 0 0 3968 {?} 1.257 0.025 0.016 {?} 0.584 0.163 0.038 {?} 19.438 1.523 0.337 8.696 18.048 0 0 3969 {?} -0.367 0.025 0.016 {?} 0.555 0.163 0.038 {?} 19.328 1.523 0.337 951.990 18.048 0 0 3970 {?} -0.368 0.025 0.016 {?} -0.030 0.163 0.038 {?} 19.409 1.523 0.337 12.422 18.048 0 0 3971 {?} 1.259 0.025 0.016 {?} -0.300 0.163 0.038 {?} 19.398 1.523 0.337 5.464 18.048 0 0 3972 {159.HG11 159.HG12 159.HG13} -0.367 0.025 0.016 {159.HG11 159.HG12 159.HG13} -0.351 0.163 0.038 {159.CG1 159.CG1 159.CG1} 19.330 1.523 0.337 1746.142 18.048 0 0 3973 {?} 1.581 0.048 0.088 {?} 9.636 0.147 0.268 {?} 18.312 1.188 1.859 67.234 25.368 0 0 3974 {39.HE1 39.HE3} 2.192 0.048 0.088 {138.H 138.H} 9.551 0.147 0.268 {39.CE 39.CE} 18.180 1.188 1.859 34.622 25.368 0 0 3975 {?} 2.192 0.048 0.088 {?} 9.363 0.147 0.268 {?} 18.184 1.188 1.859 153.602 25.368 0 0 3976 {?} 1.608 0.054 0.079 {?} 9.321 0.125 0.199 {?} 18.432 1.334 1.873 25.217 21.599 0 0 3977 {?} 2.192 0.054 0.079 {?} 9.053 0.125 0.199 {?} 18.147 1.334 1.873 102.568 21.599 0 0 3978 {?} 1.583 0.054 0.079 {?} 8.996 0.125 0.199 {?} 18.292 1.334 1.873 104.798 21.599 0 0 3979 {?} 1.224 0.047 0.046 {?} 8.745 0.074 0.159 {?} 18.019 1.222 1.179 130.663 33.523 0 0 3980 {?} 1.608 0.047 0.046 {?} 8.395 0.074 0.159 {?} 18.416 1.222 1.179 2019.297 33.523 0 0 3981 {?} 1.572 0.047 0.046 {?} 8.387 0.074 0.159 {?} 18.171 1.222 1.179 1713.889 33.523 0 0 3982 {?} 0.525 0.047 0.046 {?} 8.279 0.074 0.159 {?} 18.327 1.222 1.179 74.909 33.523 0 0 3983 {?} 2.193 0.047 0.046 {?} 8.201 0.074 0.159 {?} 18.202 1.222 1.179 3.373 33.523 0 0 3984 {?} 1.225 0.055 0.157 {?} 8.107 0.111 0.158 {?} 18.093 0.994 2.121 224.829 315.844 0 0 3985 {?} 1.380 0.055 0.157 {?} 8.046 0.111 0.158 {?} 18.161 0.994 2.121 216.331 315.844 0 0 3986 {?} 0.524 0.073 0.097 {?} 8.071 0.127 0.298 {?} 18.441 1.180 1.685 72.820 218.440 0 0 3987 {?} 0.524 0.073 0.097 {?} 7.844 0.127 0.298 {?} 18.365 1.180 1.685 274.756 218.440 0 0 3988 {?} 1.610 0.073 0.097 {?} 7.739 0.127 0.298 {?} 18.438 1.180 1.685 602.966 218.440 0 0 3989 {?} 2.193 0.073 0.097 {?} 7.635 0.127 0.298 {?} 18.215 1.180 1.685 112.412 218.440 0 0 3990 {?} 1.616 0.057 0.112 {?} 7.514 0.106 0.335 {?} 18.102 1.283 1.998 252.422 22.825 0 0 3991 {?} 1.432 0.078 0.125 {?} 7.528 0.187 0.268 {?} 18.427 1.003 2.151 883.289 24.143 0 0 3992 {37.HB1 37.HB2 37.HB3} 1.381 0.078 0.125 {37.H 37.H 37.H} 7.499 0.187 0.268 {37.CB 37.CB 37.CB} 18.156 1.003 2.151 417.941 7.794 0 0 3993 {?} 1.225 0.053 0.105 {?} 7.466 0.151 0.268 {?} 18.076 1.174 1.901 42.256 78.031 0 0 3994 {?} 2.192 0.028 0.036 {?} 7.349 0.097 0.252 {?} 18.199 0.716 0.864 7.558 30.285 0 0 3995 {?} 1.580 0.036 0.036 {?} 7.263 0.092 0.090 {?} 18.311 0.901 0.883 403.612 1329.200 0 0 3996 {?} 2.192 0.036 0.036 {?} 6.991 0.092 0.090 {?} 18.238 0.901 0.883 9.718 1329.200 0 0 3997 {?} 1.377 0.036 0.036 {?} 6.792 0.092 0.090 {?} 18.190 0.901 0.883 48.857 1329.200 0 0 3998 {39.HE3} 2.192 0.036 0.036 {23.HD2} 6.699 0.092 0.090 {39.CE} 18.225 0.901 0.883 33.870 1329.200 0 0 3999 {?} 0.524 0.046 0.039 {?} 6.582 0.116 0.102 {?} 18.445 0.795 0.701 351.344 61.618 0 0 4000 {?} 1.226 0.054 0.116 {?} 5.919 0.192 0.274 {?} 18.082 1.162 2.023 57.978 601.532 0 0 4001 {?} 2.192 0.054 0.116 {?} 5.849 0.192 0.274 {?} 18.169 1.162 2.023 25.109 601.532 0 0 4002 {?} 2.192 0.054 0.116 {?} 5.449 0.192 0.274 {?} 18.199 1.162 2.023 79.204 601.532 0 0 4003 {120.HB2} 1.585 0.025 0.031 {61.HA} 5.206 0.128 0.402 {120.CB} 18.300 0.980 1.330 15.413 132.152 0 0 4004 {39.HE2} 2.192 0.025 0.031 {39.HA} 5.099 0.128 0.402 {39.CE} 18.188 0.980 1.330 50.485 132.152 0 0 4005 {95.HG21 95.HG22} 0.523 0.025 0.031 {95.HA 95.HA} 5.018 0.128 0.402 {95.CG2 95.CG2} 18.431 0.980 1.330 265.893 132.152 0 0 4006 {39.HE3} 2.193 0.025 0.031 {21.HA} 4.851 0.128 0.402 {39.CE} 18.164 0.980 1.330 132.346 132.152 0 0 4007 {13.HB3} 1.225 0.025 0.031 {14.HA} 4.665 0.128 0.402 {13.CB} 18.130 0.980 1.330 122.653 132.152 0 0 4008 {39.HE1} 2.192 0.025 0.031 {137.HA} 4.574 0.128 0.402 {39.CE} 18.196 0.980 1.330 179.276 21.964 0 0 4009 {162.HB2} 1.611 0.030 0.024 {162.HA} 4.451 0.085 0.062 {162.CB} 18.354 0.695 0.506 4207.671 7.174 0 0 4010 {37.HB1} 1.430 0.052 0.116 {38.HA} 4.390 0.086 0.260 {37.CB} 18.495 1.099 1.981 327.754 25.301 0 0 4011 {5.HB1 37.HB1} 1.380 0.025 0.026 {6.HA 38.HA} 4.395 0.096 0.101 {5.CB 37.CB} 18.176 0.939 0.986 170.518 16.737 0 0 4012 {13.HB2} 1.225 0.025 0.026 {10.HA} 4.423 0.096 0.101 {13.CB} 18.102 0.939 0.986 441.057 16.737 0 0 4013 {150.HB1 150.HB2 150.HB1 150.HB3} 1.568 0.032 0.028 {147.HA 147.HA 150.HA 150.HA} 4.233 0.109 0.094 {150.CB 150.CB 150.CB 150.CB} 18.028 1.348 1.163 3393.094 2.992 0 0 4014 {39.HE1 39.HE2 39.HE3} 2.192 0.053 0.075 {137.HB 137.HB 137.HB} 4.207 0.091 0.050 {39.CE 39.CE 39.CE} 18.191 1.004 0.548 183.262 6.553 0 0 4015 {37.HB2 37.HB3} 1.431 0.053 0.075 {37.HA 37.HA} 4.129 0.091 0.050 {37.CB 37.CB} 18.428 1.004 0.548 1933.768 6.553 0 0 4016 {13.HB1 13.HB3} 1.225 0.053 0.075 {13.HA 13.HA} 4.111 0.091 0.050 {13.CB 13.CB} 18.096 1.004 0.548 1542.067 6.553 0 0 4017 {?} 1.145 0.048 0.082 {?} 4.105 0.098 0.200 {?} 18.185 1.180 1.864 330.708 159.008 0 0 4018 {76.HG21 76.HG22 76.HG23} 0.530 0.048 0.082 {76.HA 76.HA 76.HA} 4.144 0.098 0.200 {76.CG2 76.CG2 76.CG2} 18.056 1.180 1.864 1148.274 159.008 0 0 4019 {?} 2.218 0.048 0.082 {?} 4.060 0.098 0.200 {?} 18.048 1.180 1.864 227.976 159.008 0 0 4020 {5.HB1 5.HB2 5.HB3} 1.379 0.047 0.073 {5.HA 5.HA 5.HA} 4.041 0.120 0.175 {5.CB 5.CB 5.CB} 18.139 0.986 1.796 1066.657 6.248 0 0 4021 {?} 2.192 0.029 0.040 {?} 3.792 0.185 0.233 {?} 18.181 0.768 1.004 353.805 8.084 0 0 4022 {?} 1.433 0.029 0.040 {?} 3.797 0.185 0.233 {?} 18.305 0.768 1.004 63.492 8.084 0 0 4023 {?} 1.227 0.029 0.040 {?} 3.469 0.185 0.233 {?} 18.118 0.768 1.004 56.516 8.084 0 0 4024 {37.HB3} 1.430 0.029 0.040 {36.HA} 3.402 0.185 0.233 {37.CB} 18.466 0.768 1.004 29.828 8.084 0 0 4025 {95.HG22 95.HG23} 0.524 0.029 0.040 {100.HA 100.HA} 3.402 0.185 0.233 {95.CG2 95.CG2} 18.461 0.768 1.004 494.061 8.084 0 0 4026 {37.HB3} 1.382 0.029 0.040 {36.HA} 3.360 0.185 0.233 {37.CB} 18.040 0.768 1.004 52.287 8.084 0 0 4027 {120.HB2} 1.581 0.029 0.040 {118.HB3} 3.186 0.185 0.233 {120.CB} 18.341 0.768 1.004 427.594 8.084 0 0 4028 {13.HB2} 1.225 0.029 0.040 {10.HB2} 3.197 0.185 0.233 {13.CB} 18.129 0.768 1.004 53.963 8.084 0 0 4029 {5.HB1} 1.380 0.029 0.040 {6.HB3} 2.995 0.185 0.233 {5.CB} 18.165 0.768 1.004 121.733 8.084 0 0 4030 {13.HB1 13.HB2} 1.223 0.029 0.040 {12.HB2 12.HB2} 2.891 0.185 0.233 {13.CB 13.CB} 18.075 0.768 1.004 129.252 8.084 0 0 4031 {95.HG21} 0.526 0.029 0.040 {89.HA} 2.791 0.185 0.233 {95.CG2} 18.387 0.768 1.004 32.355 8.084 0 0 4032 {5.HB1} 1.379 0.029 0.040 {6.HB2} 2.598 0.185 0.233 {5.CB} 18.133 0.768 1.004 81.479 8.084 0 0 4033 {39.HE2} 2.192 0.048 0.075 {39.HG2} 2.503 0.118 0.219 {39.CE} 18.191 0.890 1.804 1342.603 33.892 0 0 4034 {?} 1.572 0.048 0.075 {?} 2.363 0.118 0.219 {?} 18.194 0.890 1.804 338.362 33.892 0 0 4035 {?} 1.430 0.048 0.075 {?} 2.376 0.118 0.219 {?} 18.447 0.890 1.804 155.178 33.892 0 0 4036 {?} 0.532 0.065 0.106 {?} 2.363 0.123 0.210 {?} 18.115 1.040 1.843 358.810 4.379 0 0 4037 {?} 1.374 0.052 0.062 {?} 2.336 0.120 0.171 {?} 18.206 1.009 1.406 8.245 10.123 0 0 4038 {39.HE1 39.HE2 39.HE3} 2.192 0.044 0.072 {39.HE1 39.HE2 39.HE3} 2.207 0.167 0.265 {39.CE 39.CE 39.CE} 18.164 1.027 1.471 30102.252 4.563 0 0 4039 {?} 1.432 0.044 0.072 {?} 2.099 0.167 0.265 {?} 18.528 1.027 1.471 29.891 4.563 0 0 4040 {95.HG22 95.HG23} 0.524 0.044 0.072 {95.HB 95.HB} 2.070 0.167 0.265 {95.CG2 95.CG2} 18.437 1.027 1.471 1187.756 4.563 0 0 4041 {?} 1.611 0.030 0.030 {?} 1.942 0.072 0.077 {?} 18.219 1.230 0.597 552.874 8.838 0 0 4042 {76.HG21 76.HG22 76.HG23} 0.528 0.030 0.030 {76.HB 76.HB 76.HB} 1.873 0.072 0.077 {76.CG2 76.CG2 76.CG2} 18.201 1.230 0.597 1712.879 8.838 0 0 4043 {?} 2.192 0.054 0.069 {?} 1.791 0.101 0.176 {?} 18.191 0.803 1.127 997.190 2.223 0 0 4044 {?} 1.429 0.035 0.044 {?} 1.766 0.089 0.108 {?} 18.446 0.823 1.005 606.155 10.571 0 0 4045 {5.HB3} 1.378 0.056 0.112 {4.HB2} 1.715 0.126 0.181 {5.CB} 18.155 1.176 1.688 81.408 1.713 0 0 4046 {120.HB1 120.HB2 120.HB3 162.HB1 162.HB2 162.HB3} 1.612 0.029 0.025 {120.HB1 120.HB2 120.HB3 162.HB1 162.HB2 162.HB3} 1.622 0.110 0.089 {120.CB 120.CB 120.CB 162.CB 162.CB 162.CB} 18.256 0.800 0.650 35020.977 7.768 0 0 4047 {9.HB1 9.HB2 9.HB3 120.HB1 120.HB2 120.HB3 150.HB1 150.HB2 150.HB3 162.HB1 162.HB2 162.HB3} 1.573 0.068 0.112 {9.HB1 9.HB2 9.HB3 120.HB1 120.HB2 120.HB3 150.HB1 150.HB2 150.HB3 162.HB1 162.HB2 162.HB3} 1.587 0.149 0.266 {9.CB 9.CB 9.CB 120.CB 120.CB 120.CB 150.CB 150.CB 150.CB 162.CB 162.CB 162.CB} 18.163 0.926 2.155 28344.404 3.067 0 0 4048 {37.HB1 37.HB2 37.HB3} 1.431 0.034 0.045 {37.HB1 37.HB2 37.HB3} 1.446 0.239 0.328 {37.CB 37.CB 37.CB} 18.490 1.070 1.690 22612.588 2.236 0 0 4049 {39.HE1 39.HE2} 2.192 0.058 0.082 {139.HB2 139.HB2} 1.395 0.126 0.181 {39.CE 39.CE} 18.188 1.182 1.689 1893.295 9.292 0 0 4050 {5.HB1 5.HB2 5.HB3} 1.380 0.067 0.095 {5.HB1 5.HB2 5.HB3} 1.394 0.203 0.290 {5.CB 5.CB 5.CB} 18.149 0.549 1.725 10075.769 1.673 0 0 4051 {162.HB1} 1.609 0.063 0.127 {163.HB1} 1.288 0.128 0.183 {162.CB} 18.338 1.345 1.921 425.777 1.927 0 0 4052 {13.HB1 13.HB2 13.HB3} 1.225 0.059 0.191 {13.HB1 13.HB2 13.HB3} 1.238 0.068 0.215 {13.CB 13.CB 13.CB} 18.086 1.232 1.760 8124.894 10.506 0 0 4053 {95.HG21 95.HG22} 0.526 0.085 0.112 {89.HG2 89.HG2} 1.233 0.143 0.204 {95.CG2 95.CG2} 18.302 0.670 2.106 1227.753 1.903 0 0 4054 {?} 2.192 0.085 0.112 {?} 1.166 0.143 0.204 {?} 18.193 0.670 2.106 1667.318 6.276 0 0 4055 {?} 1.428 0.085 0.112 {?} 1.120 0.143 0.204 {?} 18.425 0.670 2.106 108.411 1.768 0 0 4056 {?} 1.376 0.085 0.112 {?} 1.072 0.143 0.204 {?} 18.198 0.670 2.106 106.357 6.664 0 0 4057 {120.HB3 120.HB3} 1.580 0.055 0.247 {62.HD22 62.HD23} 0.956 0.067 0.301 {120.CB 120.CB} 18.335 1.179 1.964 1549.028 4.180 0 0 4058 {?} 1.219 0.066 0.172 {?} 0.904 0.169 0.250 {?} 18.044 1.962 2.803 121.760 2.138 0 0 4059 {?} 0.526 0.017 0.034 {?} 0.902 0.134 0.192 {?} 18.241 0.908 1.297 2174.262 8.697 0 0 4060 {?} 2.192 0.029 0.091 {?} 0.810 0.110 0.157 {?} 18.170 0.755 1.843 290.074 2.007 0 0 4061 {?} 0.820 0.036 0.035 {?} 9.762 0.060 0.058 {?} 17.852 0.368 0.357 54.036 8.629 0 0 4062 {?} 1.483 0.044 0.103 {?} 9.618 0.039 0.224 {?} 17.801 0.655 1.144 48.802 9.940 0 0 4063 {?} 0.820 0.071 0.193 {?} 9.369 0.192 0.273 {?} 17.754 1.236 2.144 180.750 13.279 0 0 4064 {?} 0.529 0.023 0.052 {?} 9.306 0.127 0.182 {?} 17.613 1.007 2.056 72.783 29.484 0 0 4065 {120.HB2} 1.622 0.034 0.079 {62.H} 8.913 0.064 0.202 {120.CB} 17.846 0.674 1.080 119.780 14.373 0 0 4066 {?} 1.483 0.044 0.100 {?} 8.878 0.126 0.268 {?} 17.888 1.150 1.990 593.040 4.126 0 0 4067 {?} 0.819 0.070 0.157 {?} 8.885 0.139 0.273 {?} 17.786 1.114 1.592 248.459 13.930 0 0 4068 {?} 2.062 0.024 0.034 {?} 8.777 0.206 0.241 {?} 17.921 0.877 1.058 101.388 4.412 0 0 4069 {?} 1.620 0.024 0.034 {?} 8.732 0.206 0.241 {?} 17.984 0.877 1.058 110.665 9.841 0 0 4070 {?} 1.483 0.056 0.082 {?} 8.648 0.158 0.260 {?} 17.764 0.907 1.375 637.318 3.323 0 0 4071 {?} 2.195 0.032 0.105 {?} 8.614 0.206 0.294 {?} 17.726 0.775 1.730 42.563 1.925 0 0 4072 {?} 2.048 0.032 0.105 {?} 8.243 0.206 0.294 {?} 17.644 0.775 1.730 41.994 2.092 0 0 4073 {?} 0.817 0.032 0.105 {?} 8.244 0.206 0.294 {?} 17.724 0.775 1.730 85.599 2.853 0 0 4074 {?} 1.565 0.043 0.028 {?} 8.177 0.122 0.078 {?} 17.984 1.076 0.684 1440.824 2.505 0 0 4075 {?} 0.901 0.051 0.047 {?} 8.177 0.211 0.301 {?} 17.634 1.096 0.984 724.380 8.130 0 0 4076 {122.HB2} 1.485 0.069 0.127 {118.H} 8.128 0.125 0.179 {122.CB} 17.812 0.392 1.232 189.828 1.998 0 0 4077 {?} 2.062 0.070 0.222 {?} 7.993 0.084 0.263 {?} 17.854 1.449 2.069 161.815 1.999 0 0 4078 {9.HB1} 1.619 0.070 0.222 {10.H} 7.975 0.084 0.263 {9.CB} 17.881 1.449 2.069 1669.302 5.729 0 0 4079 {?} 1.568 0.070 0.222 {?} 7.969 0.084 0.263 {?} 17.926 1.449 2.069 880.064 14.444 0 0 4080 {?} 0.901 0.039 0.036 {?} 7.948 0.069 0.138 {?} 17.629 1.262 1.192 374.705 1.828 0 0 4081 {?} 2.219 0.031 0.047 {?} 7.893 0.104 0.149 {?} 17.928 0.773 2.263 50.067 2.017 0 0 4082 {?} 2.048 0.031 0.047 {?} 7.847 0.104 0.149 {?} 17.497 0.773 2.263 196.535 16.369 0 0 4083 {?} 0.910 0.031 0.047 {?} 7.739 0.104 0.149 {?} 17.756 0.773 2.263 66.646 16.369 0 0 4084 {?} 2.061 0.031 0.047 {?} 7.452 0.104 0.149 {?} 17.886 0.773 2.263 285.092 1.683 0 0 4085 {?} 2.217 0.030 0.085 {?} 7.400 0.043 0.136 {?} 17.952 0.753 1.653 183.440 30.490 0 0 4086 {?} 1.483 0.057 0.084 {?} 7.431 0.192 0.274 {?} 17.763 0.946 1.192 390.435 4.383 0 0 4087 {?} 0.799 0.030 0.019 {?} 7.373 0.109 0.057 {?} 17.590 1.044 0.547 734.665 5.010 0 0 4088 {?} 0.901 0.081 0.021 {?} 7.290 0.091 0.054 {?} 17.622 1.442 0.884 800.142 3.588 0 0 4089 {?} 2.217 0.039 0.024 {?} 7.235 0.045 0.066 {?} 18.000 1.341 0.943 91.613 2.021 0 0 4090 {?} 1.484 0.028 0.049 {?} 7.267 0.092 0.059 {?} 17.743 1.341 0.841 268.182 6.632 0 0 4091 {?} 2.060 0.026 0.036 {?} 7.105 0.145 0.195 {?} 17.889 1.077 1.656 218.175 4.960 0 0 4092 {?} 0.819 0.038 0.026 {?} 7.077 0.096 0.070 {?} 17.774 0.910 0.663 299.612 4.336 0 0 4093 {?} 1.483 0.057 0.065 {?} 7.056 0.143 0.180 {?} 17.859 1.097 1.277 30.157 11.005 0 0 4094 {?} 2.217 0.036 0.018 {?} 6.985 0.048 0.028 {?} 17.977 1.097 0.291 83.261 2.727 0 0 4095 {?} 0.819 0.070 0.064 {?} 6.876 0.165 0.151 {?} 17.778 0.984 0.893 478.930 20.387 0 0 4096 {?} 1.619 0.033 0.030 {?} 6.780 0.095 0.085 {?} 17.910 1.732 1.499 16.694 2.560 0 0 4097 {?} 0.902 0.022 0.019 {?} 6.659 0.123 0.102 {?} 17.621 0.847 0.706 351.519 4.994 0 0 4098 {?} 2.050 0.026 0.037 {?} 6.579 0.134 0.220 {?} 17.598 1.532 1.351 141.941 5.059 0 0 4099 {?} 1.484 0.026 0.037 {?} 6.205 0.134 0.220 {?} 17.755 1.532 1.351 58.715 10.815 0 0 4100 {?} 0.820 0.049 0.051 {?} 6.221 0.079 0.087 {?} 17.801 1.202 1.303 6.003 13.258 0 0 4101 {?} 0.900 0.049 0.051 {?} 5.920 0.079 0.087 {?} 17.661 1.202 1.303 41.798 13.258 0 0 4102 {?} 0.816 0.029 0.028 {?} 5.940 0.102 0.099 {?} 17.690 0.814 0.792 32.545 4.142 0 0 4103 {?} 0.820 0.028 0.041 {?} 5.741 0.067 0.050 {?} 17.823 0.846 0.626 61.541 3.672 0 0 4104 {59.HG21} 0.822 0.028 0.041 {60.HA} 5.485 0.067 0.050 {59.CG2} 17.845 0.846 0.626 120.009 3.672 0 0 4105 {?} 0.510 0.028 0.041 {?} 5.453 0.067 0.050 {?} 17.495 0.846 0.626 57.543 3.672 0 0 4106 {59.HG21 59.HG22} 0.819 0.027 0.031 {59.HA 59.HA} 5.279 0.152 0.173 {59.CG2 59.CG2} 17.787 0.709 0.838 505.700 21.324 0 0 4107 {?} 1.480 0.046 0.026 {?} 5.166 0.229 0.178 {?} 17.749 0.921 0.658 177.221 19.646 0 0 4108 {?} 2.048 0.013 0.029 {?} 5.047 0.211 0.301 {?} 17.577 1.224 1.205 70.238 20.412 0 0 4109 {?} 2.050 0.037 0.052 {?} 4.906 0.072 0.130 {?} 17.503 1.314 1.005 44.435 55.885 0 0 4110 {?} 0.813 0.037 0.052 {?} 4.862 0.072 0.130 {?} 17.770 1.314 1.005 222.021 55.885 0 0 4111 {102.HB3} 0.513 0.036 0.044 {103.HA} 4.775 0.109 0.129 {102.CB} 17.661 1.090 1.322 140.877 43.723 0 0 4112 {122.HB3} 1.483 0.036 0.044 {123.HA} 4.716 0.109 0.129 {122.CB} 17.751 1.090 1.322 382.763 43.723 0 0 4113 {?} 2.217 0.018 0.014 {?} 4.657 0.094 0.073 {?} 17.976 0.863 0.677 147.690 28.982 0 0 4114 {?} 0.891 0.018 0.014 {?} 4.693 0.094 0.073 {?} 17.605 0.863 0.677 174.343 28.982 0 0 4115 {164.HE1 164.HE2} 2.062 0.018 0.014 {71.HA 71.HA} 4.611 0.094 0.073 {164.CE 164.CE} 17.892 0.863 0.677 144.431 28.982 0 0 4116 {?} 0.802 0.018 0.014 {?} 4.575 0.094 0.073 {?} 17.586 0.863 0.677 185.982 28.982 0 0 4117 {?} 2.049 0.018 0.024 {?} 4.274 0.108 0.060 {?} 17.482 1.180 0.652 295.236 58.370 0 0 4118 {143.HB2 143.HB3} 1.483 0.018 0.024 {143.HA 143.HA} 4.174 0.108 0.060 {143.CB 143.CB} 17.894 1.180 0.652 1640.777 58.370 0 0 4119 {151.HB1 151.HB2 151.HB3} 0.901 0.018 0.024 {151.HA 151.HA 151.HA} 4.045 0.108 0.060 {151.CB 151.CB 151.CB} 17.617 1.180 0.652 1086.731 58.370 0 0 4120 {?} 0.801 0.018 0.024 {?} 4.021 0.108 0.060 {?} 17.554 1.180 0.652 445.617 58.370 0 0 4121 {164.HE2 164.HE3} 2.061 0.018 0.024 {164.HA 164.HA} 3.909 0.108 0.060 {164.CE 164.CE} 17.889 1.180 0.652 1030.625 58.370 0 0 4122 {?} 1.569 0.018 0.024 {?} 3.819 0.108 0.060 {?} 17.997 1.180 0.652 61.550 58.370 0 0 4123 {122.HB2 122.HB3} 1.483 0.018 0.024 {119.HA 119.HA} 3.820 0.108 0.060 {122.CB 122.CB} 17.779 1.180 0.652 669.992 58.370 0 0 4124 {?} 2.049 0.030 0.019 {?} 3.632 0.089 0.085 {?} 17.489 0.874 0.436 176.331 41.802 0 0 4125 {?} 0.798 0.064 0.079 {?} 3.661 0.186 0.232 {?} 17.590 1.511 1.905 666.104 25.786 0 0 4126 {?} 2.217 0.064 0.079 {?} 3.552 0.186 0.232 {?} 17.961 1.511 1.905 94.361 173.619 0 0 4127 {?} 1.619 0.064 0.079 {?} 3.447 0.186 0.232 {?} 17.923 1.511 1.905 241.296 173.619 0 0 4128 {?} 0.802 0.060 0.069 {?} 3.393 0.140 0.180 {?} 17.507 1.169 1.425 124.720 11.711 0 0 4129 {151.HB1} 0.900 0.020 0.020 {14.HB2} 3.291 0.191 0.188 {151.CB} 17.636 1.302 1.288 69.106 90.951 0 0 4130 {?} 2.048 0.020 0.020 {?} 3.250 0.191 0.188 {?} 17.549 1.302 1.288 79.534 90.951 0 0 4131 {?} 1.618 0.020 0.020 {?} 3.198 0.191 0.188 {?} 17.881 1.302 1.288 529.673 1020.977 0 0 4132 {?} 0.820 0.026 0.025 {?} 3.211 0.115 0.105 {?} 17.700 0.804 0.729 113.346 1812.738 0 0 4133 {?} 1.486 0.026 0.025 {?} 3.041 0.115 0.105 {?} 17.788 0.804 0.729 164.018 1812.738 0 0 4134 {?} 2.059 0.026 0.025 {?} 3.002 0.115 0.105 {?} 17.919 0.804 0.729 478.934 1812.738 0 0 4135 {?} 1.619 0.026 0.025 {?} 2.925 0.115 0.105 {?} 17.980 0.804 0.729 536.347 1812.738 0 0 4136 {?} 2.218 0.026 0.025 {?} 2.832 0.115 0.105 {?} 17.950 0.804 0.729 384.348 1812.738 0 0 4137 {?} 1.483 0.026 0.025 {?} 2.825 0.115 0.105 {?} 17.849 0.804 0.729 220.637 1812.738 0 0 4138 {?} 2.061 0.026 0.025 {?} 2.601 0.115 0.105 {?} 17.877 0.804 0.729 1138.980 1812.738 0 0 4139 {143.HB2 143.HB3} 1.483 0.026 0.025 {146.HG2 146.HG2} 2.552 0.115 0.105 {143.CB 143.CB} 17.830 0.804 0.729 123.002 1812.738 0 0 4140 {151.HB1} 0.902 0.026 0.025 {14.HB3} 2.472 0.115 0.105 {151.CB} 17.609 0.804 0.729 59.930 1812.738 0 0 4141 {?} 0.798 0.026 0.025 {?} 2.498 0.115 0.105 {?} 17.575 0.804 0.729 339.619 2.682 0 0 4142 {164.HE2 164.HE3} 2.049 0.026 0.025 {164.HB2 164.HB2} 2.386 0.115 0.105 {164.CE 164.CE} 17.578 0.804 0.729 1057.195 9.666 0 0 4143 {?} 1.484 0.026 0.025 {?} 2.332 0.115 0.105 {?} 17.869 0.804 0.729 259.968 9.666 0 0 4144 {39.HE1 39.HE2 39.HE3} 2.217 0.066 0.094 {39.HE1 39.HE2 39.HE3} 2.226 0.167 0.228 {39.CE 39.CE 39.CE} 17.970 1.308 1.874 31021.129 6.690 0 0 4145 {143.HB3} 1.484 0.047 0.067 {142.HB2} 2.158 0.210 0.284 {143.CB} 17.856 0.950 1.305 99.851 447.038 0 0 4146 {59.HG22} 0.815 0.047 0.067 {116.HB} 2.162 0.210 0.284 {59.CG2} 17.695 0.950 1.305 482.878 447.038 0 0 4147 {164.HE1 164.HE2 164.HE3} 2.049 0.047 0.067 {164.HE1 164.HE2 164.HE3} 2.060 0.210 0.284 {164.CE 164.CE 164.CE} 17.518 0.950 1.305 41389.469 447.038 0 0 4148 {?} 0.966 0.047 0.067 {?} 1.937 0.210 0.284 {?} 17.665 0.950 1.305 113.343 447.038 0 0 4149 {59.HG21 59.HG22 59.HG23} 0.819 0.047 0.067 {59.HB 59.HB 59.HB} 1.965 0.210 0.284 {59.CG2 59.CG2 59.CG2} 17.783 0.950 1.305 583.431 447.038 0 0 4150 {?} 0.899 0.047 0.067 {?} 1.863 0.210 0.284 {?} 17.577 0.950 1.305 191.030 447.038 0 0 4151 {?} 1.482 0.047 0.067 {?} 1.822 0.210 0.284 {?} 17.797 0.950 1.305 431.672 447.038 0 0 4152 {?} 0.800 0.046 0.051 {?} 1.751 0.126 0.152 {?} 17.609 0.981 1.121 851.117 26.204 0 0 4153 {39.HE3} 2.218 0.071 0.080 {21.HG} 1.666 0.091 0.222 {39.CE} 17.978 1.360 1.572 149.633 34.472 0 0 4154 {164.HE1 164.HE2} 2.061 0.071 0.080 {71.HB3 71.HB3} 1.593 0.091 0.222 {164.CE 164.CE} 17.850 1.360 1.572 567.547 15.381 0 0 4155 {151.HB1} 0.901 0.014 0.012 {150.HB2} 1.575 0.133 0.034 {151.CB} 17.525 1.921 0.667 110.696 3.130 0 0 4156 {122.HB1 122.HB2 122.HB3 143.HB1 143.HB2 143.HB3} 1.483 0.014 0.012 {122.HB1 122.HB2 122.HB3 143.HB1 143.HB2 143.HB3} 1.499 0.133 0.034 {122.CB 122.CB 122.CB 143.CB 143.CB 143.CB} 17.843 1.921 0.667 19835.857 3.130 0 0 4157 {?} 0.943 0.014 0.012 {?} 1.271 0.133 0.034 {?} 17.838 1.921 0.667 801.150 3.130 0 0 4158 {?} 0.900 0.027 0.021 {?} 1.247 0.131 0.085 {?} 17.751 1.479 0.888 391.720 2.534 0 0 4159 {?} 0.817 0.016 0.011 {?} 1.228 0.157 0.101 {?} 17.773 1.047 0.736 1623.773 3.424 0 0 4160 {164.HE2 164.HE2} 2.062 0.016 0.011 {75.HG21 75.HG23} 0.942 0.157 0.101 {164.CE 164.CE} 17.896 1.047 0.736 1866.306 3.424 0 0 4161 {?} 0.943 0.016 0.011 {?} 0.954 0.157 0.101 {?} 17.584 1.047 0.736 7913.309 3.424 0 0 4162 {151.HB1 151.HB2 151.HB3} 0.901 0.025 0.017 {151.HB1 151.HB2 151.HB3} 0.911 0.070 0.088 {151.CB 151.CB 151.CB} 17.611 1.128 0.683 8332.834 2.088 0 0 4163 {?} 1.483 0.037 0.052 {?} 0.869 0.143 0.204 {?} 17.763 1.154 2.074 2457.888 6.000 0 0 4164 {?} 2.217 0.037 0.052 {?} 0.798 0.143 0.204 {?} 17.974 1.154 2.074 596.878 9.803 0 0 4165 {?} 1.726 0.037 0.052 {?} 0.818 0.143 0.204 {?} 17.543 1.154 2.074 3.397 1.591 0 0 4166 {?} 1.192 0.037 0.052 {?} 0.818 0.148 0.211 {?} 17.697 1.175 2.077 112.975 1.946 0 0 4167 {59.HG21 59.HG22 59.HG23} 0.801 0.037 0.052 {59.HG21 59.HG22 59.HG23} 0.811 0.148 0.211 {59.CG2 59.CG2 59.CG2} 17.599 1.175 2.077 20155.252 5.865 0 0 4168 {?} 2.050 0.037 0.052 {?} 0.734 0.148 0.211 {?} 17.532 1.175 2.077 1016.019 1.718 0 0 4169 {?} 0.671 0.037 0.052 {?} 0.682 0.148 0.211 {?} 17.753 1.175 2.077 721.612 2.570 0 0 4170 {102.HB1 102.HB2 102.HB3} 0.530 0.026 0.037 {102.HB1 102.HB2 102.HB3} 0.547 0.092 0.211 {102.CB 102.CB 102.CB} 17.573 0.780 1.783 9383.188 1.816 0 0 4171 {151.HB2 151.HB1 151.HB2 151.HB3 151.HB2} 0.903 0.026 0.037 {152.HD21 152.HD22 152.HD22 152.HD22 152.HD23} 0.427 0.092 0.211 {151.CB 151.CB 151.CB 151.CB 151.CB} 17.640 0.780 1.783 52.289 2.808 0 0 4172 {?} 0.798 0.026 0.037 {?} 0.358 0.092 0.211 {?} 17.570 0.780 1.783 810.990 2.808 0 0 4173 {?} 1.618 0.026 0.037 {?} 0.311 0.092 0.211 {?} 17.895 0.780 1.783 140.339 5.260 0 0 4174 {?} 1.222 0.029 0.025 {?} 0.304 0.118 0.076 {?} 17.938 0.770 0.501 43.713 5.269 0 0 4175 {?} 2.064 0.058 0.082 {?} 0.124 0.110 0.220 {?} 17.772 0.963 1.376 4.467 8.828 0 0 4176 {?} 0.819 0.058 0.082 {?} 0.122 0.110 0.220 {?} 17.782 0.963 1.376 450.731 7.362 0 0 4177 {?} 0.903 0.068 0.097 {?} -0.116 0.107 0.214 {?} 17.617 0.826 2.100 179.735 10.547 0 0 4178 {164.HE3} 2.062 0.068 0.097 {159.HG13} -0.359 0.107 0.214 {164.CE} 17.908 0.826 2.100 42.729 1.494 0 0 4179 {?} 0.816 0.068 0.097 {?} -0.366 0.107 0.214 {?} 17.714 0.826 2.100 108.780 1.836 0 0 4180 {76.HG21 76.HG22 76.HG23 76.HG21 76.HG23} 0.533 0.068 0.097 {76.HD12 76.HD12 76.HD12 76.HD13 76.HD13} -0.424 0.107 0.214 {76.CG2 76.CG2 76.CG2 76.CG2 76.CG2} 18.011 0.826 2.100 826.814 3.053 0 0 4181 {?} 0.761 0.055 0.124 {?} 9.639 0.132 0.201 {?} 17.190 1.009 2.032 145.275 4.156 0 0 4182 {?} 1.971 0.054 0.112 {?} 9.484 0.128 0.200 {?} 17.108 1.227 1.813 155.457 7.392 0 0 4183 {59.HG21} 0.768 0.028 0.035 {59.H} 9.319 0.096 0.124 {59.CG2} 17.176 1.000 1.409 149.712 2.470 0 0 4184 {102.HB1} 0.508 0.028 0.035 {129.H} 9.159 0.096 0.124 {102.CB} 17.320 1.000 1.409 46.705 7.707 0 0 4185 {59.HG21} 0.761 0.029 0.052 {61.H} 9.091 0.146 0.208 {59.CG2} 17.204 0.773 1.193 144.766 9.506 0 0 4186 {?} 2.048 0.029 0.052 {?} 8.991 0.146 0.208 {?} 17.419 0.773 1.193 165.203 4.477 0 0 4187 {?} 2.360 0.024 0.031 {?} 8.788 0.159 0.195 {?} 16.944 0.898 1.157 42.607 10.619 0 0 4188 {?} 0.531 0.017 0.018 {?} 8.803 0.080 0.097 {?} 17.344 1.167 1.427 131.481 1.817 0 0 4189 {?} 0.761 0.075 0.153 {?} 8.745 0.065 0.231 {?} 17.203 1.610 2.181 241.489 1.563 0 0 4190 {?} 2.359 0.058 0.082 {?} 8.450 0.211 0.301 {?} 16.929 1.203 1.718 104.656 15.590 0 0 4191 {?} 0.762 0.068 0.077 {?} 8.417 0.141 0.263 {?} 17.221 1.237 1.599 58.686 1.705 0 0 4192 {?} 1.972 0.076 0.127 {?} 8.287 0.097 0.139 {?} 17.133 1.632 2.332 85.668 7.579 0 0 4193 {?} 0.760 0.045 0.055 {?} 8.125 0.192 0.274 {?} 17.193 1.315 1.693 452.557 6.390 0 0 4194 {?} 1.971 0.021 0.021 {?} 8.063 0.140 0.137 {?} 17.081 0.540 0.527 75.538 23.917 0 0 4195 {?} 2.361 0.027 0.037 {?} 8.026 0.154 0.220 {?} 16.942 1.424 2.311 29.887 1.790 0 0 4196 {?} 1.971 0.027 0.037 {?} 7.864 0.154 0.220 {?} 17.110 1.424 2.311 201.779 1.790 0 0 4197 {102.HB3} 0.510 0.106 0.423 {103.H} 7.559 0.150 0.214 {102.CB} 17.413 0.996 3.063 988.011 6.153 0 0 4198 {?} 1.971 0.106 0.423 {?} 7.521 0.150 0.214 {?} 17.095 0.996 3.063 115.372 12.335 0 0 4199 {?} 1.971 0.106 0.423 {?} 7.193 0.150 0.214 {?} 17.103 0.996 3.063 479.431 7.748 0 0 4200 {?} 2.360 0.043 0.061 {?} 7.099 0.211 0.301 {?} 16.963 1.240 1.823 561.607 6.022 0 0 4201 {?} 0.511 0.053 0.085 {?} 7.086 0.159 0.273 {?} 17.455 1.034 1.959 1031.565 31.772 0 0 4202 {?} 0.439 0.028 0.090 {?} 7.083 0.084 0.265 {?} 17.413 0.963 1.375 87.856 11.255 0 0 4203 {?} 0.414 0.028 0.090 {?} 7.079 0.084 0.265 {?} 17.438 0.963 1.375 48.499 17.797 0 0 4204 {?} 2.360 0.028 0.090 {?} 6.921 0.084 0.265 {?} 16.962 0.963 1.375 432.691 39.182 0 0 4205 {?} 0.534 0.059 0.208 {?} 6.879 0.128 0.252 {?} 17.289 1.291 2.011 49.590 33.968 0 0 4206 {?} 1.969 0.040 0.068 {?} 6.585 0.105 0.181 {?} 17.137 1.221 2.070 69.217 5.782 0 0 4207 {?} 1.971 0.069 0.270 {?} 6.113 0.217 0.310 {?} 17.151 1.128 2.051 39.199 2.979 0 0 4208 {?} 0.509 0.069 0.270 {?} 5.957 0.217 0.310 {?} 17.440 1.128 2.051 317.551 3.064 0 0 4209 {?} 1.972 0.069 0.270 {?} 5.720 0.217 0.310 {?} 17.182 1.128 2.051 92.133 272.916 0 0 4210 {?} 1.971 0.069 0.270 {?} 5.498 0.217 0.310 {?} 17.147 1.128 2.051 90.266 272.916 0 0 4211 {?} 1.973 0.069 0.270 {?} 5.220 0.217 0.310 {?} 17.044 1.128 2.051 19.761 272.916 0 0 4212 {?} 0.510 0.053 0.126 {?} 5.230 0.081 0.212 {?} 17.395 1.109 2.056 203.746 3.453 0 0 4213 {158.HG22 158.HG23} 0.762 0.076 0.217 {158.HA 158.HA} 5.159 0.092 0.288 {158.CG2 158.CG2} 17.195 1.488 2.125 402.376 466.939 0 0 4214 {59.HG21 158.HG22} 0.759 0.076 0.217 {117.HA 160.HA} 4.876 0.092 0.288 {59.CG2 158.CG2} 17.191 1.488 2.125 147.456 466.939 0 0 4215 {?} 1.970 0.076 0.217 {?} 4.733 0.092 0.288 {?} 17.107 1.488 2.125 133.702 466.939 0 0 4216 {?} 2.360 0.076 0.217 {?} 4.690 0.092 0.288 {?} 16.954 1.488 2.125 231.890 4.209 0 0 4217 {?} 1.971 0.076 0.217 {?} 4.506 0.092 0.288 {?} 17.097 1.488 2.125 131.447 1.678 0 0 4218 {?} 0.904 0.076 0.217 {?} 4.519 0.092 0.288 {?} 17.155 1.488 2.125 34.599 6.234 0 0 4219 {?} 1.000 0.026 0.037 {?} 4.460 0.211 0.301 {?} 17.162 1.089 1.871 74.313 12.430 0 0 4220 {158.HG22} 0.760 0.026 0.037 {159.HA} 4.305 0.211 0.301 {158.CG2} 17.191 1.089 1.871 113.684 19.946 0 0 4221 {?} 2.360 0.026 0.037 {?} 4.160 0.211 0.301 {?} 16.944 1.089 1.871 320.671 8.438 0 0 4222 {?} 1.970 0.051 0.097 {?} 4.160 0.066 0.207 {?} 17.105 1.254 1.929 311.182 17.596 0 0 4223 {102.HB1 102.HB2 102.HB3} 0.510 0.051 0.097 {102.HA 102.HA 102.HA} 3.852 0.066 0.207 {102.CB 102.CB 102.CB} 17.437 1.254 1.929 1070.012 2.238 0 0 4224 {158.HG21 158.HG22 158.HG23} 0.761 0.030 0.230 {119.HA 119.HA 119.HA} 3.813 0.122 0.174 {158.CG2 158.CG2 158.CG2} 17.168 0.874 1.248 717.311 9.069 0 0 4225 {?} 1.971 0.030 0.230 {?} 3.694 0.122 0.174 {?} 17.104 0.874 1.248 152.334 6.784 0 0 4226 {?} 1.971 0.030 0.230 {?} 3.358 0.122 0.174 {?} 17.119 0.874 1.248 491.906 8.948 0 0 4227 {102.HB1 102.HB2 102.HB3} 0.508 0.064 0.157 {129.HB2 129.HB2 129.HB2} 3.160 0.140 0.200 {102.CB 102.CB 102.CB} 17.365 0.912 2.182 141.678 10.005 0 0 4228 {?} 0.761 0.064 0.157 {?} 3.045 0.140 0.200 {?} 17.162 0.912 2.182 270.287 13.992 0 0 4229 {?} 1.971 0.064 0.157 {?} 2.795 0.140 0.200 {?} 17.116 0.912 2.182 507.119 12.582 0 0 4230 {?} 2.359 0.064 0.157 {?} 2.716 0.140 0.200 {?} 16.957 0.912 2.182 573.592 9.855 0 0 4231 {?} 1.972 0.064 0.157 {?} 2.430 0.140 0.200 {?} 17.117 0.912 2.182 581.914 9.632 0 0 4232 {?} 2.360 0.027 0.094 {?} 2.373 0.126 0.181 {?} 16.957 0.947 1.353 19182.738 16.556 0 0 4233 {158.HG21 158.HG22} 0.762 0.027 0.094 {167.HB 167.HB} 2.224 0.126 0.181 {158.CG2 158.CG2} 17.131 0.947 1.353 224.474 8.943 0 0 4234 {?} 2.143 0.059 0.085 {?} 2.155 0.108 0.182 {?} 17.144 0.857 1.328 9134.079 18.670 0 0 4235 {?} 2.107 0.035 0.050 {?} 2.112 0.168 0.146 {?} 17.328 1.140 0.968 14286.813 8.238 0 0 4236 {1.HE1 1.HE2 1.HE3} 1.971 0.033 0.064 {1.HE1 1.HE2 1.HE3} 1.989 0.106 0.198 {1.CE 1.CE 1.CE} 17.113 1.388 2.093 10846.851 8.879 0 0 4237 {?} 2.361 0.037 0.034 {?} 1.848 0.107 0.095 {?} 16.958 1.053 0.935 357.223 5.080 0 0 4238 {158.HG21 158.HG22 158.HG23} 0.761 0.048 0.046 {158.HB 158.HB 158.HB} 1.858 0.080 0.075 {158.CG2 158.CG2 158.CG2} 17.190 1.170 1.109 619.236 4.957 0 0 4239 {1.HE1} 1.969 0.048 0.046 {132.HB3} 1.662 0.080 0.075 {1.CE} 17.095 1.170 1.109 63.203 4.957 0 0 4240 {?} 0.533 0.048 0.046 {?} 1.600 0.080 0.075 {?} 17.205 1.170 1.109 982.864 4.957 0 0 4241 {?} 2.360 0.048 0.046 {?} 1.562 0.080 0.075 {?} 16.952 1.170 1.109 146.896 6.394 0 0 4242 {158.HG22} 0.761 0.048 0.046 {119.HB3} 1.518 0.080 0.075 {158.CG2} 17.161 1.170 1.109 1255.707 5.819 0 0 4243 {?} 1.972 0.037 0.052 {?} 1.470 0.120 0.105 {?} 17.105 0.924 0.807 367.307 10.662 0 0 4244 {?} 2.360 0.032 0.026 {?} 1.250 0.095 0.077 {?} 16.946 0.485 0.873 482.243 6.094 0 0 4245 {?} 1.971 0.044 0.043 {?} 1.220 0.175 0.168 {?} 17.101 1.003 0.958 1229.572 4.839 0 0 4246 {?} 2.360 0.044 0.043 {?} 0.978 0.175 0.168 {?} 16.952 1.003 0.958 1630.032 11.068 0 0 4247 {?} 1.971 0.031 0.027 {?} 0.886 0.096 0.081 {?} 17.119 1.178 1.004 484.587 2.838 0 0 4248 {35.HG21 35.HG22 35.HG23} 0.762 0.031 0.027 {35.HG21 35.HG22 35.HG23} 0.790 0.096 0.081 {35.CG2 35.CG2 35.CG2} 17.162 1.178 1.004 10581.359 2.838 0 0 4249 {?} 2.360 0.031 0.027 {?} 0.557 0.096 0.081 {?} 16.947 1.178 1.004 837.394 2.838 0 0 4250 {1.HE1} 1.970 0.050 0.076 {132.HD22} 0.535 0.102 0.172 {1.CE} 17.084 1.353 1.933 246.784 18.067 0 0 4251 {?} 0.534 0.052 0.073 {?} 0.116 0.098 0.150 {?} 17.169 1.099 1.610 954.377 11.063 0 0 4252 {?} 0.760 0.031 0.057 {?} -0.343 0.100 0.066 {?} 17.213 1.088 0.718 34.592 3.135 0 0 4253 {?} 2.360 0.031 0.057 {?} -0.433 0.100 0.066 {?} 16.970 1.088 0.718 273.521 3.135 0 0 4254 {?} 2.171 0.031 0.057 {?} 2.181 0.100 0.066 {?} 16.782 1.088 0.718 10870.772 3.135 0 0 4255 {?} 1.101 0.044 0.080 {?} 1.118 0.132 0.190 {?} 16.808 1.034 1.494 2830.676 13.528 0 0 4256 {?} 0.738 0.044 0.080 {?} 7.904 0.132 0.190 {?} 16.244 1.034 1.494 244.136 13.528 0 0 4257 {?} 0.737 0.082 0.102 {?} 7.523 0.136 0.175 {?} 16.246 1.229 1.778 554.528 3.548 0 0 4258 {?} 0.737 0.119 0.157 {?} 7.347 0.139 0.205 {?} 16.230 1.241 1.593 470.819 6.694 0 0 4259 {?} 0.739 0.025 0.016 {?} 7.099 0.079 0.124 {?} 16.236 0.968 0.644 282.861 25.628 0 0 4260 {?} 0.739 0.025 0.016 {?} 6.613 0.079 0.124 {?} 16.176 0.968 0.644 198.423 25.628 0 0 4261 {106.HG21 106.HG22} 0.739 0.037 0.052 {107.HA 107.HA} 4.796 0.192 0.274 {106.CG2 106.CG2} 16.343 1.038 1.018 152.524 12.697 0 0 4262 {?} 0.737 0.052 0.051 {?} 4.033 0.101 0.220 {?} 16.175 1.120 1.092 275.403 4.293 0 0 4263 {106.HG22} 0.737 0.034 0.056 {106.HA} 3.739 0.132 0.233 {106.CG2} 16.258 1.428 2.062 471.779 2.712 0 0 4264 {?} 0.735 0.028 0.042 {?} 3.386 0.093 0.127 {?} 16.147 1.182 1.751 149.021 7.431 0 0 4265 {?} 0.736 0.028 0.042 {?} 2.930 0.093 0.127 {?} 16.205 1.182 1.751 375.430 4.678 0 0 4266 {106.HG21} 0.737 0.028 0.042 {107.HB3} 2.717 0.093 0.127 {106.CG2} 16.246 1.182 1.751 262.881 14.363 0 0 4267 {106.HG22 106.HG22 106.HG23} 0.738 0.028 0.042 {106.HD11 106.HD13 106.HD13} 0.336 0.093 0.127 {106.CG2 106.CG2 106.CG2} 16.234 1.182 1.751 1374.992 14.363 0 0 4268 {?} 0.737 0.028 0.042 {?} -0.097 0.093 0.127 {?} 16.222 1.182 1.751 242.219 14.363 0 0 4269 {?} 0.771 0.036 0.044 {?} 9.768 0.136 0.171 {?} 14.519 0.850 1.111 58.784 27.856 0 0 4270 {59.HD12} 0.769 0.046 0.058 {49.H} 9.374 0.107 0.144 {59.CD1} 14.590 0.946 1.179 76.297 14.059 0 0 4271 {?} 0.323 0.045 0.057 {?} 8.924 0.102 0.133 {?} 14.559 0.916 1.179 40.494 8.093 0 0 4272 {?} 0.770 0.059 0.107 {?} 8.883 0.134 0.197 {?} 14.599 1.108 1.769 138.683 13.997 0 0 4273 {?} 0.328 0.059 0.107 {?} 8.064 0.134 0.197 {?} 14.492 1.108 1.769 303.108 7.473 0 0 4274 {?} 0.768 0.067 0.190 {?} 7.554 0.166 0.257 {?} 14.544 1.048 2.115 149.060 6.922 0 0 4275 {106.HD12 106.HD13} 0.327 0.022 0.073 {10.HD1 10.HD1} 7.347 0.087 0.238 {106.CD1 106.CD1} 14.499 1.337 1.610 633.281 2.766 0 0 4276 {106.HD12 106.HD13} 0.264 0.021 0.019 {10.HD1 10.HD1} 7.354 0.068 0.129 {106.CD1 106.CD1} 14.627 0.815 1.508 59.524 6.134 0 0 4277 {?} 0.770 0.077 0.119 {?} 7.319 0.161 0.231 {?} 14.641 0.545 1.744 126.159 2.809 0 0 4278 {?} 0.769 0.038 0.017 {?} 7.079 0.115 0.049 {?} 14.563 0.673 0.286 215.134 10.449 0 0 4279 {?} 0.330 0.030 0.090 {?} 7.098 0.120 0.171 {?} 14.467 1.250 2.200 146.681 8.668 0 0 4280 {?} 0.769 0.030 0.090 {?} 6.874 0.120 0.171 {?} 14.569 1.250 2.200 252.567 10.797 0 0 4281 {?} 0.330 0.041 0.086 {?} 6.635 0.126 0.290 {?} 14.531 0.828 1.991 88.505 4.047 0 0 4282 {?} 0.771 0.041 0.086 {?} 5.745 0.126 0.290 {?} 14.519 0.828 1.991 80.118 5.822 0 0 4283 {59.HD11 59.HD13} 0.768 0.041 0.086 {59.HA 59.HA} 5.283 0.126 0.290 {59.CD1 59.CD1} 14.554 0.828 1.991 251.087 5.822 0 0 4284 {?} 0.332 0.044 0.147 {?} 4.941 0.120 0.238 {?} 14.580 0.950 2.241 48.330 12.206 0 0 4285 {?} 0.766 0.044 0.147 {?} 4.844 0.120 0.238 {?} 14.443 0.950 2.241 88.410 11.494 0 0 4286 {?} 0.327 0.045 0.058 {?} 4.427 0.110 0.169 {?} 14.514 1.206 1.627 230.002 9.974 0 0 4287 {?} 0.775 0.061 0.097 {?} 4.304 0.106 0.181 {?} 14.509 1.316 1.970 14.006 7.154 0 0 4288 {?} 0.774 0.061 0.097 {?} 4.146 0.106 0.181 {?} 14.602 1.316 1.970 68.841 37.799 0 0 4289 {?} 0.772 0.044 0.086 {?} 3.887 0.148 0.227 {?} 14.458 0.399 1.826 242.396 63.408 0 0 4290 {106.HD11 106.HD13} 0.328 0.046 0.097 {106.HA 106.HA} 3.730 0.110 0.218 {106.CD1 106.CD1} 14.508 0.426 1.861 512.474 13.164 0 0 4291 {?} 0.328 0.046 0.097 {?} 3.596 0.110 0.218 {?} 14.475 0.426 1.861 680.205 13.164 0 0 4292 {?} 0.327 0.046 0.062 {?} 3.433 0.120 0.182 {?} 14.477 1.334 1.787 437.371 35.428 0 0 4293 {?} 0.767 0.057 0.097 {?} 3.260 0.096 0.184 {?} 14.516 0.901 1.735 86.099 41.601 0 0 4294 {?} 0.326 0.057 0.097 {?} 3.187 0.096 0.184 {?} 14.501 0.901 1.735 201.931 52.971 0 0 4295 {?} 0.280 0.057 0.097 {?} 3.198 0.096 0.184 {?} 14.528 0.901 1.735 198.312 856.039 0 0 4296 {59.HD11 59.HD12 59.HD13} 0.771 0.030 0.098 {57.HB2 57.HB2 57.HB2} 3.013 0.153 0.237 {59.CD1 59.CD1 59.CD1} 14.578 0.622 1.954 143.500 6.248 0 0 4297 {?} 0.329 0.072 0.127 {?} 2.933 0.097 0.138 {?} 14.495 0.625 1.965 181.622 17.735 0 0 4298 {59.HD11 59.HD12} 0.773 0.072 0.127 {57.HB3 57.HB3} 2.651 0.097 0.138 {59.CD1 59.CD1} 14.569 0.625 1.965 129.757 62.724 0 0 4299 {?} 0.326 0.072 0.127 {?} 2.616 0.097 0.138 {?} 14.588 0.625 1.965 134.484 62.724 0 0 4300 {?} 0.770 0.072 0.127 {?} 2.170 0.097 0.138 {?} 14.586 0.625 1.965 367.313 62.724 0 0 4301 {59.HD11 59.HD12 59.HD13} 0.770 0.072 0.127 {59.HB 59.HB 59.HB} 1.964 0.097 0.138 {59.CD1 59.CD1 59.CD1} 14.555 0.625 1.965 204.787 62.724 0 0 4302 {?} 0.769 0.072 0.127 {?} 1.602 0.097 0.138 {?} 14.559 0.625 1.965 714.642 62.724 0 0 4303 {106.HD11 106.HD13} 0.328 0.058 0.106 {106.HB 106.HB} 1.610 0.085 0.121 {106.CD1 106.CD1} 14.487 0.545 1.805 711.580 49.312 0 0 4304 {?} 0.770 0.026 0.037 {?} 1.239 0.074 0.173 {?} 14.557 0.410 1.287 590.108 304.814 0 0 4305 {59.HD11 59.HD12 59.HD13} 0.770 0.026 0.037 {59.HD11 59.HD12 59.HD13} 0.785 0.074 0.173 {59.CD1 59.CD1 59.CD1} 14.559 0.410 1.287 2415.712 304.814 0 0 4306 {106.HD11 106.HD13 106.HD11 106.HD12 106.HD13 106.HD11 106.HD12 106.HD13} 0.327 0.026 0.037 {106.HG21 106.HG21 106.HG22 106.HG22 106.HG22 106.HG23 106.HG23 106.HG23} 0.750 0.074 0.173 {106.CD1 106.CD1 106.CD1 106.CD1 106.CD1 106.CD1 106.CD1 106.CD1} 14.493 0.410 1.287 63.805 304.814 0 0 4307 {?} 0.770 0.026 0.037 {?} 0.108 0.074 0.173 {?} 14.582 0.410 1.287 7.572 304.814 0 0 4308 {106.HD11 106.HD11 106.HD12 106.HD13 106.HD11 106.HD12 106.HD13} 0.327 0.026 0.037 {152.HD11 152.HD12 152.HD12 152.HD12 152.HD13 152.HD13 152.HD13} -0.086 0.074 0.173 {106.CD1 106.CD1 106.CD1 106.CD1 106.CD1 106.CD1 106.CD1} 14.503 0.410 1.287 7.176 304.814 0 0 4309 {?} 0.769 0.026 0.037 {?} -0.422 0.074 0.173 {?} 14.572 0.410 1.287 147.611 304.814 0 0 4310 {?} 1.087 0.037 0.052 {?} 1.104 0.165 0.249 {?} 13.127 1.086 1.805 101.116 8.546 0 0 4311 {?} 0.656 0.037 0.052 {?} 0.679 0.165 0.249 {?} 13.253 1.086 1.805 114.104 6.601 0 0 4312 {?} 0.103 0.105 0.150 {?} 8.856 0.199 0.284 {?} 12.934 1.494 2.135 97.767 127.863 0 0 4313 {?} 0.105 0.105 0.150 {?} 7.544 0.199 0.284 {?} 13.062 1.494 2.135 123.883 127.863 0 0 4314 {?} 0.341 0.105 0.150 {?} 7.398 0.199 0.284 {?} 12.800 1.494 2.135 122.734 127.863 0 0 4315 {?} 0.106 0.105 0.150 {?} 7.071 0.199 0.284 {?} 13.066 1.494 2.135 126.898 127.863 0 0 4316 {?} 0.108 0.105 0.150 {?} 6.877 0.199 0.284 {?} 13.037 1.494 2.135 101.599 7.427 0 0 4317 {35.HD11 35.HD12} 0.338 0.105 0.150 {23.HD2 23.HD2} 6.700 0.199 0.284 {35.CD1 35.CD1} 12.801 1.494 2.135 66.003 14.239 0 0 4318 {67.HD11 67.HD12 67.HD13} 0.105 0.105 0.150 {61.HA 61.HA 61.HA} 5.239 0.199 0.284 {67.CD1 67.CD1 67.CD1} 12.989 1.494 2.135 80.601 14.239 0 0 4319 {?} 0.338 0.105 0.150 {?} 5.000 0.199 0.284 {?} 12.836 1.494 2.135 89.718 14.239 0 0 4320 {?} 0.338 0.136 0.262 {?} 4.852 0.092 0.268 {?} 12.761 1.685 2.407 97.297 12.978 0 0 4321 {35.HD11 35.HD12 35.HD13 35.HD11 35.HD12} 0.341 0.057 0.281 {32.HA2 32.HA2 32.HA2 32.HA3 32.HA3} 3.985 0.062 0.194 {35.CD1 35.CD1 35.CD1 35.CD1 35.CD1} 12.823 1.153 2.166 141.365 3.986 0 0 4322 {67.HD11 67.HD12 67.HD13} 0.107 0.021 0.058 {67.HA 67.HA 67.HA} 3.987 0.102 0.190 {67.CD1 67.CD1 67.CD1} 13.001 1.009 1.578 68.317 5.208 0 0 4323 {35.HD11 35.HD12 35.HD13} 0.340 0.067 0.157 {35.HA 35.HA 35.HA} 3.667 0.192 0.274 {35.CD1 35.CD1 35.CD1} 12.802 1.300 2.165 129.811 16.291 0 0 4324 {67.HD11 67.HD12 67.HD13} 0.105 0.067 0.157 {45.HE3 45.HE3 45.HE3} 3.269 0.192 0.274 {67.CD1 67.CD1 67.CD1} 13.070 1.300 2.165 65.289 4.028 0 0 4325 {35.HD11 35.HD12 35.HD13} 0.339 0.067 0.157 {23.HB2 23.HB2 23.HB2} 3.204 0.192 0.274 {35.CD1 35.CD1 35.CD1} 12.794 1.300 2.165 86.216 2.135 0 0 4326 {67.HD11 67.HD12 67.HD13} 0.106 0.067 0.135 {45.HE2 45.HE2 45.HE2} 2.756 0.126 0.181 {67.CD1 67.CD1 67.CD1} 13.048 1.366 1.993 191.772 14.107 0 0 4327 {35.HD11 35.HD13 35.HD13} 0.340 0.031 0.090 {34.HB2 34.HB2 34.HB3} 2.079 0.134 0.247 {35.CD1 35.CD1 35.CD1} 12.813 0.640 2.239 238.682 10.134 0 0 4328 {35.HD11 35.HD12 35.HD13} 0.340 0.027 0.029 {35.HB 35.HB 35.HB} 1.744 0.051 0.134 {35.CD1 35.CD1 35.CD1} 12.811 1.010 1.145 554.290 8.558 0 0 4329 {67.HD11 67.HD12 67.HD13} 0.107 0.015 0.043 {67.HB 67.HB 67.HB} 1.585 0.145 0.209 {67.CD1 67.CD1 67.CD1} 13.058 1.150 2.055 273.135 3.052 0 0 4330 {?} 0.340 0.015 0.043 {?} 1.299 0.145 0.209 {?} 12.808 1.150 2.055 381.935 3.052 0 0 4331 {67.HD11 67.HD12 67.HD13 67.HD12 67.HD11 67.HD12} 0.107 0.015 0.043 {61.HB1 61.HB1 61.HB1 61.HB2 61.HB3 61.HB3} 1.208 0.145 0.209 {67.CD1 67.CD1 67.CD1 67.CD1 67.CD1 67.CD1} 13.050 1.150 2.055 596.406 3.052 0 0 4332 {?} 0.340 0.048 0.034 {?} 0.961 0.091 0.068 {?} 12.805 1.015 0.762 358.924 4.454 0 0 4333 {67.HD12 67.HD13} 0.107 0.026 0.027 {67.HG12 67.HG12} 0.960 0.124 0.177 {67.CD1 67.CD1} 13.047 1.044 1.090 1898.601 9.662 0 0 4334 {?} 0.896 0.034 0.048 {?} 0.905 0.112 0.191 {?} 12.795 1.011 1.851 7191.498 7.929 0 0 4335 {?} 0.341 0.034 0.048 {?} 0.809 0.112 0.191 {?} 12.818 1.011 1.851 982.634 7.929 0 0 4336 {?} 0.107 0.034 0.048 {?} 0.554 0.112 0.191 {?} 13.045 1.011 1.851 1080.378 7.929 0 0 4337 {?} 1.289 0.029 0.025 {?} 0.351 0.115 0.164 {?} 12.844 1.280 1.077 33.814 4.193 0 0 4338 {35.HD11 35.HD12 35.HD13} 0.340 0.059 0.042 {35.HD11 35.HD12 35.HD13} 0.354 0.106 0.076 {35.CD1 35.CD1 35.CD1} 12.808 1.355 0.943 9775.693 16.287 0 0 4339 {?} 0.973 0.029 0.022 {?} 0.127 0.125 0.097 {?} 12.920 1.521 1.146 7.675 9.508 0 0 4340 {67.HD11 67.HD12 67.HD13} 0.107 0.030 0.045 {67.HD11 67.HD12 67.HD13} 0.119 0.107 0.196 {67.CD1 67.CD1 67.CD1} 13.046 1.338 1.911 5193.507 5.317 0 0 4341 {?} -0.006 0.030 0.040 {?} 0.131 0.179 0.204 {?} 13.032 0.829 0.912 128.440 16.036 0 0 4342 {?} 0.337 0.058 0.054 {?} 0.033 0.144 0.137 {?} 12.767 1.184 1.094 109.847 13.562 0 0 4343 {?} 0.339 0.025 0.047 {?} -0.460 0.060 0.190 {?} 12.879 1.151 1.976 43.911 13.399 0 0 4344 {?} 0.844 0.020 0.022 {?} 9.086 0.107 0.121 {?} 12.405 1.099 1.271 186.643 8.408 0 0 4345 {?} 0.844 0.020 0.022 {?} 8.840 0.107 0.121 {?} 12.437 1.099 1.271 23.511 5.250 0 0 4346 {?} 0.845 0.020 0.022 {?} 8.443 0.107 0.121 {?} 12.331 1.099 1.271 7.505 3.238 0 0 4347 {?} 0.844 0.032 0.057 {?} 8.127 0.057 0.178 {?} 12.387 1.221 2.080 154.518 7.333 0 0 4348 {?} 0.845 0.035 0.017 {?} 7.544 0.117 0.064 {?} 12.339 1.212 0.664 25.790 11.932 0 0 4349 {?} 0.842 0.027 0.047 {?} 7.145 0.169 0.242 {?} 12.519 0.854 1.437 62.115 9.646 0 0 4350 {?} 0.844 0.053 0.048 {?} 6.930 0.110 0.096 {?} 12.223 1.068 0.932 8.005 9.569 0 0 4351 {?} 0.843 0.030 0.055 {?} 5.163 0.073 0.274 {?} 12.391 0.934 1.919 357.013 7.343 0 0 4352 {?} 0.843 0.033 0.033 {?} 4.698 0.119 0.123 {?} 12.374 1.237 1.261 271.990 21.157 0 0 4353 {?} 0.844 0.033 0.033 {?} 4.242 0.119 0.123 {?} 12.431 1.237 1.261 156.983 21.157 0 0 4354 {?} 0.844 0.033 0.033 {?} 3.802 0.119 0.123 {?} 12.405 1.237 1.261 293.845 21.157 0 0 4355 {?} 0.838 0.033 0.027 {?} 3.050 0.107 0.082 {?} 12.377 0.971 0.743 47.172 3.938 0 0 4356 {?} 0.843 0.026 0.089 {?} 2.703 0.211 0.301 {?} 12.363 1.059 2.121 37.188 3.553 0 0 4357 {?} 0.843 0.029 0.058 {?} 2.310 0.200 0.285 {?} 12.414 0.940 1.915 394.135 5.991 0 0 4358 {158.HD11 158.HD12 158.HD13} 0.843 0.029 0.058 {158.HB 158.HB 158.HB} 1.852 0.200 0.285 {158.CD1 158.CD1 158.CD1} 12.397 0.940 1.915 1061.077 5.194 0 0 4359 {158.HD11 158.HD12 158.HD13} 0.843 0.029 0.058 {158.HG12 158.HG12 158.HG12} 1.638 0.200 0.285 {158.CD1 158.CD1 158.CD1} 12.388 0.940 1.915 1726.920 2.965 0 0 4360 {?} 0.996 0.030 0.056 {?} 0.854 0.132 0.208 {?} 12.374 0.806 1.519 408.381 2.347 0 0 4361 {158.HD11 158.HD12 158.HD13} 0.843 0.025 0.029 {158.HD11 158.HD12 158.HD13} 0.852 0.140 0.166 {158.CD1 158.CD1 158.CD1} 12.400 0.938 1.134 11326.021 2.513 0 0 4362 {?} 0.837 0.025 0.015 {?} -0.090 0.106 0.059 {?} 12.290 0.830 0.458 45.407 32.922 0 0 4363 {?} 0.844 0.025 0.015 {?} -0.342 0.106 0.059 {?} 12.500 0.830 0.458 38.197 32.922 0 0 4364 {?} -0.452 0.025 0.015 {?} 7.437 0.106 0.059 {?} 11.169 0.830 0.458 119.653 32.922 0 0 4365 {?} -0.454 0.025 0.015 {?} 7.103 0.106 0.059 {?} 11.146 0.830 0.458 154.696 32.922 0 0 4366 {76.HD11 76.HD13} -0.453 0.025 0.015 {73.HA 73.HA} 4.343 0.106 0.059 {76.CD1 76.CD1} 11.148 0.830 0.458 158.225 32.922 0 0 4367 {76.HD12} -0.452 0.028 0.048 {76.HA} 4.163 0.116 0.202 {76.CD1} 11.128 0.718 1.079 51.291 13.815 0 0 4369 {?} -0.452 0.028 0.048 {?} 3.066 0.116 0.202 {?} 11.191 0.718 1.079 103.948 45.031 0 0 4370 {?} -0.453 0.028 0.048 {?} 2.382 0.116 0.202 {?} 11.184 0.718 1.079 115.630 2.918 0 0 4371 {?} -0.453 0.039 0.057 {?} 2.128 0.125 0.155 {?} 11.142 1.154 1.414 164.043 18.773 0 0 4372 {76.HD11 76.HD12 76.HD13} -0.454 0.027 0.028 {76.HB 76.HB 76.HB} 1.880 0.131 0.137 {76.CD1 76.CD1 76.CD1} 11.155 1.103 1.155 323.881 15.386 0 0 4374 {?} -0.456 0.023 0.025 {?} 1.583 0.097 0.104 {?} 11.148 0.835 0.896 282.852 22.619 0 0 4375 {?} -0.457 0.023 0.025 {?} 1.246 0.097 0.104 {?} 11.164 0.835 0.896 216.426 22.619 0 0 4376 {?} -0.454 0.026 0.048 {?} 0.587 0.160 0.290 {?} 11.144 0.834 1.429 1174.031 13.059 0 0 4377 {76.HD11 76.HD12 76.HD13} -0.454 0.026 0.048 {76.HD11 76.HD12 76.HD13} -0.435 0.160 0.290 {76.CD1 76.CD1 76.CD1} 11.148 0.834 1.429 1860.424 13.663 0 0 4378 {?} 4.419 0.026 0.048 {?} 4.421 0.160 0.290 {?} 8.447 0.834 1.429 57.088 10.873 0 0 4379 {?} 4.023 0.032 0.014 {?} 4.033 0.192 0.112 {?} 8.631 1.658 1.024 59.389 5.168 0 0 4380 {?} 3.865 0.038 0.033 {?} 3.875 0.096 0.083 {?} 8.434 1.103 0.949 127.884 12.555 0 0 4381 {?} 3.533 0.057 0.053 {?} 3.549 0.106 0.098 {?} 8.436 1.320 1.233 23.063 8.487 0 0 4382 {?} 6.244 0.025 0.044 {?} 10.333 0.088 0.182 {?} 7.277 0.865 1.838 28.140 14.640 0 0 4383 {?} 4.674 0.029 0.050 {?} 9.540 0.093 0.202 {?} 7.347 0.975 1.807 30.700 3.638 0 0 4384 {?} 6.082 0.059 0.094 {?} 4.624 0.140 0.243 {?} 7.350 1.155 1.651 75.540 21.070 0 0 4385 {?} 7.213 0.057 0.099 {?} 4.342 0.105 0.211 {?} 7.190 0.956 1.559 56.046 19.565 0 0 4386 {?} 1.701 0.030 0.070 {?} 3.951 0.191 0.273 {?} 7.215 1.225 1.956 32.793 30.271 0 0 4387 {?} 3.457 0.027 0.019 {?} 3.847 0.126 0.180 {?} 7.319 0.893 0.565 62.435 24.401 0 0 4388 {?} 4.383 0.025 0.040 {?} 8.955 0.185 0.266 {?} 55.424 0.976 1.392 953.210 44.967 0 0 4389 {?} 2.121 0.052 0.072 {?} 8.612 0.105 0.173 {?} 45.466 0.933 1.278 27.320 33.243 0 0 4390 {105.HB2} 1.531 0.044 0.069 {154.HG21} 0.904 0.092 0.142 {105.CB} 41.623 1.112 1.611 1982.409 13.792 0 0 4391 {148.HB2} 3.798 0.027 0.047 {149.HG} 2.327 0.211 0.301 {148.CB} 39.054 1.143 1.966 44.800 16.110 0 0 4392 {114.HB2} 1.304 0.027 0.047 {114.HB3} 0.610 0.211 0.301 {114.CB} 31.291 1.143 1.966 230.876 76.741 0 0 4393 {?} 0.337 0.027 0.047 {?} 8.002 0.125 0.214 {?} 12.744 0.800 1.378 161.519 28.469 0 0 4394 {?} 2.998 0.028 0.056 {?} 8.029 0.135 0.292 {?} 28.045 0.917 1.860 0.000 7.338 0 0 4395 {?} 3.179 0.028 0.056 {?} 8.014 0.135 0.292 {?} 28.068 0.917 1.860 0.000 5.806 0 0 4396 {23.HB3 23.HB3} 2.975 0.033 0.059 {22.HA 23.HA} 4.984 0.089 0.128 {23.CB 23.CB} 27.956 1.025 2.084 0.000 699.681 0 0 4397 {23.HB3} 2.971 0.058 0.082 {24.HD3} 3.911 0.310 0.443 {23.CB} 27.957 1.053 1.968 0.000 57.831 0 0 4398 {23.HB3} 2.990 0.025 0.038 {24.HD2} 3.725 0.192 0.274 {23.CB} 27.930 1.098 1.739 0.000 171.947 0 0 4399 {23.HB3} 2.995 0.010 0.016 {23.HB2} 3.197 0.105 0.174 {23.CB} 27.983 1.186 1.872 0.000 186.787 0 0 4400 {23.HB3} 2.999 0.010 0.016 {23.HB3} 3.014 0.105 0.174 {23.CB} 27.893 1.186 1.872 0.000 186.787 0 0 4401 {23.HB3 23.HB3 23.HB3} 2.994 0.010 0.016 {35.HD11 35.HD12 35.HD13} 0.351 0.105 0.174 {23.CB 23.CB 23.CB} 27.994 1.186 1.872 0.000 186.787 0 0 4402 {23.HB2} 3.177 0.010 0.016 {21.HD11} 1.110 0.105 0.174 {23.CB} 28.045 1.186 1.872 0.000 186.787 0 0 4403 {23.HB2} 3.154 0.010 0.016 {23.HB3} 3.018 0.105 0.174 {23.CB} 27.914 1.186 1.872 0.000 186.787 0 0 4404 {23.HB2} 3.160 0.010 0.016 {23.HB2} 3.204 0.105 0.174 {23.CB} 27.927 1.186 1.872 0.000 186.787 0 0 4405 {23.HB2} 3.172 0.010 0.016 {24.HD2} 3.715 0.105 0.174 {23.CB} 27.997 1.186 1.872 0.000 186.787 0 0 4406 {23.HB2} 3.171 0.010 0.016 {24.HD3} 3.922 0.105 0.174 {23.CB} 27.910 1.186 1.872 0.000 186.787 0 0 4407 {23.HB2} 3.154 0.010 0.016 {23.HA} 4.999 0.105 0.174 {23.CB} 27.941 1.186 1.872 0.000 186.787 0 0 4408 {23.HB2} 3.164 0.024 0.019 {23.HD2} 6.710 0.067 0.045 {23.CB} 27.880 0.907 0.607 0.000 29.835 0 0 4409 {?} 6.569 0.024 0.019 {?} 6.759 0.067 0.045 {?} 58.353 0.907 0.607 0.000 29.835 0 0 4410 {?} 6.566 0.024 0.019 {?} 8.759 0.067 0.045 {?} 58.270 0.907 0.607 0.000 29.835 0 0 4411 {?} 6.571 0.024 0.019 {?} 8.893 0.067 0.045 {?} 58.270 0.907 0.607 0.000 29.835 0 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 HC . 'not observed' 14 ppm . . . . . . 52587 2 2 . . H 1 H . 'not observed' 14 ppm . . . . . . 52587 2 3 . . C 13 C . aliased 70 ppm . . . . . . 52587 2 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 3 $software_3 . . 52587 2 4 $software_4 . . 52587 2 stop_ save_