data_34299 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34299 _Entry.Title ; A1-type ACP domain from module 5 of MLSA1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-07-09 _Entry.Accession_date 2018-07-09 _Entry.Last_release_date 2019-03-13 _Entry.Original_release_date 2019-03-13 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.2.0.16 _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 . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 34299 stop_ 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 Luisa Moretto L. . . . 34299 2 Rachel Heylen R. . . . 34299 3 Natalie Holroyd N. . . . 34299 4 Steven Vance S. . . . 34299 5 Richard Broadhurst R. W. . . 34299 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'ACYL CARRIER PROTEIN MYCOLACTONE POLYKETIDE SYNTHASE' . 34299 'PROTEIN BINDING' . 34299 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34299 spectral_peak_list 2 34299 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 424 34299 '15N chemical shifts' 101 34299 '1H chemical shifts' 657 34299 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 . . 2019-03-14 . original BMRB . 34299 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 34301 'B1-type ACP domain from module 7 of MLSB' 34299 PDB 6H0J . 34299 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34299 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1038/s41598-019-38747-9 _Citation.PubMed_ID 30787330 _Citation.Full_citation . _Citation.Title ; Modular type I polyketide synthase acyl carrier protein domains share a common N-terminally extended fold. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full . _Citation.Journal_volume 9 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2045-2322 _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 2325 _Citation.Page_last 2325 _Citation.Year 2019 _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 Luisa Moretto L. . . . 34299 1 2 Rachel Heylen R. . . . 34299 1 3 Natalie Holroyd N. . . . 34299 1 4 Steven Vance S. . . . 34299 1 5 Richard Broadhurst R. W. . . 34299 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34299 _Assembly.ID 1 _Assembly.Name 'Type I modular polyketide synthase' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _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 entity_1 1 $entity_1 A A yes . . . . . . 34299 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34299 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Type I modular polyketide synthase' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSTATLLTSKLAGLTATEQR AVTRKLVLDQAASVLGYAST ESLDTHESFKDLGFDSLTAL ELRDHLQTATGLNLSSTLIF DHPTPHAVAEHLLEQIPGIG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 100 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10607.839 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'A fragment from the fifth chain extension module of the MLSA1 subunit of the mycolactone polyketide synthase system' _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 1 GLY . 34299 1 2 2 SER . 34299 1 3 3 THR . 34299 1 4 4 ALA . 34299 1 5 5 THR . 34299 1 6 6 LEU . 34299 1 7 7 LEU . 34299 1 8 8 THR . 34299 1 9 9 SER . 34299 1 10 10 LYS . 34299 1 11 11 LEU . 34299 1 12 12 ALA . 34299 1 13 13 GLY . 34299 1 14 14 LEU . 34299 1 15 15 THR . 34299 1 16 16 ALA . 34299 1 17 17 THR . 34299 1 18 18 GLU . 34299 1 19 19 GLN . 34299 1 20 20 ARG . 34299 1 21 21 ALA . 34299 1 22 22 VAL . 34299 1 23 23 THR . 34299 1 24 24 ARG . 34299 1 25 25 LYS . 34299 1 26 26 LEU . 34299 1 27 27 VAL . 34299 1 28 28 LEU . 34299 1 29 29 ASP . 34299 1 30 30 GLN . 34299 1 31 31 ALA . 34299 1 32 32 ALA . 34299 1 33 33 SER . 34299 1 34 34 VAL . 34299 1 35 35 LEU . 34299 1 36 36 GLY . 34299 1 37 37 TYR . 34299 1 38 38 ALA . 34299 1 39 39 SER . 34299 1 40 40 THR . 34299 1 41 41 GLU . 34299 1 42 42 SER . 34299 1 43 43 LEU . 34299 1 44 44 ASP . 34299 1 45 45 THR . 34299 1 46 46 HIS . 34299 1 47 47 GLU . 34299 1 48 48 SER . 34299 1 49 49 PHE . 34299 1 50 50 LYS . 34299 1 51 51 ASP . 34299 1 52 52 LEU . 34299 1 53 53 GLY . 34299 1 54 54 PHE . 34299 1 55 55 ASP . 34299 1 56 56 SER . 34299 1 57 57 LEU . 34299 1 58 58 THR . 34299 1 59 59 ALA . 34299 1 60 60 LEU . 34299 1 61 61 GLU . 34299 1 62 62 LEU . 34299 1 63 63 ARG . 34299 1 64 64 ASP . 34299 1 65 65 HIS . 34299 1 66 66 LEU . 34299 1 67 67 GLN . 34299 1 68 68 THR . 34299 1 69 69 ALA . 34299 1 70 70 THR . 34299 1 71 71 GLY . 34299 1 72 72 LEU . 34299 1 73 73 ASN . 34299 1 74 74 LEU . 34299 1 75 75 SER . 34299 1 76 76 SER . 34299 1 77 77 THR . 34299 1 78 78 LEU . 34299 1 79 79 ILE . 34299 1 80 80 PHE . 34299 1 81 81 ASP . 34299 1 82 82 HIS . 34299 1 83 83 PRO . 34299 1 84 84 THR . 34299 1 85 85 PRO . 34299 1 86 86 HIS . 34299 1 87 87 ALA . 34299 1 88 88 VAL . 34299 1 89 89 ALA . 34299 1 90 90 GLU . 34299 1 91 91 HIS . 34299 1 92 92 LEU . 34299 1 93 93 LEU . 34299 1 94 94 GLU . 34299 1 95 95 GLN . 34299 1 96 96 ILE . 34299 1 97 97 PRO . 34299 1 98 98 GLY . 34299 1 99 99 ILE . 34299 1 100 100 GLY . 34299 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 34299 1 . SER 2 2 34299 1 . THR 3 3 34299 1 . ALA 4 4 34299 1 . THR 5 5 34299 1 . LEU 6 6 34299 1 . LEU 7 7 34299 1 . THR 8 8 34299 1 . SER 9 9 34299 1 . LYS 10 10 34299 1 . LEU 11 11 34299 1 . ALA 12 12 34299 1 . GLY 13 13 34299 1 . LEU 14 14 34299 1 . THR 15 15 34299 1 . ALA 16 16 34299 1 . THR 17 17 34299 1 . GLU 18 18 34299 1 . GLN 19 19 34299 1 . ARG 20 20 34299 1 . ALA 21 21 34299 1 . VAL 22 22 34299 1 . THR 23 23 34299 1 . ARG 24 24 34299 1 . LYS 25 25 34299 1 . LEU 26 26 34299 1 . VAL 27 27 34299 1 . LEU 28 28 34299 1 . ASP 29 29 34299 1 . GLN 30 30 34299 1 . ALA 31 31 34299 1 . ALA 32 32 34299 1 . SER 33 33 34299 1 . VAL 34 34 34299 1 . LEU 35 35 34299 1 . GLY 36 36 34299 1 . TYR 37 37 34299 1 . ALA 38 38 34299 1 . SER 39 39 34299 1 . THR 40 40 34299 1 . GLU 41 41 34299 1 . SER 42 42 34299 1 . LEU 43 43 34299 1 . ASP 44 44 34299 1 . THR 45 45 34299 1 . HIS 46 46 34299 1 . GLU 47 47 34299 1 . SER 48 48 34299 1 . PHE 49 49 34299 1 . LYS 50 50 34299 1 . ASP 51 51 34299 1 . LEU 52 52 34299 1 . GLY 53 53 34299 1 . PHE 54 54 34299 1 . ASP 55 55 34299 1 . SER 56 56 34299 1 . LEU 57 57 34299 1 . THR 58 58 34299 1 . ALA 59 59 34299 1 . LEU 60 60 34299 1 . GLU 61 61 34299 1 . LEU 62 62 34299 1 . ARG 63 63 34299 1 . ASP 64 64 34299 1 . HIS 65 65 34299 1 . LEU 66 66 34299 1 . GLN 67 67 34299 1 . THR 68 68 34299 1 . ALA 69 69 34299 1 . THR 70 70 34299 1 . GLY 71 71 34299 1 . LEU 72 72 34299 1 . ASN 73 73 34299 1 . LEU 74 74 34299 1 . SER 75 75 34299 1 . SER 76 76 34299 1 . THR 77 77 34299 1 . LEU 78 78 34299 1 . ILE 79 79 34299 1 . PHE 80 80 34299 1 . ASP 81 81 34299 1 . HIS 82 82 34299 1 . PRO 83 83 34299 1 . THR 84 84 34299 1 . PRO 85 85 34299 1 . HIS 86 86 34299 1 . ALA 87 87 34299 1 . VAL 88 88 34299 1 . ALA 89 89 34299 1 . GLU 90 90 34299 1 . HIS 91 91 34299 1 . LEU 92 92 34299 1 . LEU 93 93 34299 1 . GLU 94 94 34299 1 . GLN 95 95 34299 1 . ILE 96 96 34299 1 . PRO 97 97 34299 1 . GLY 98 98 34299 1 . ILE 99 99 34299 1 . GLY 100 100 34299 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 34299 _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 . 362242 organism . 'Mycobacterium ulcerans (strain Agy99)' 'Mycobacterium ulcerans Agy99' . . Bacteria . Mycobacterium 'Mycobacterium ulcerans' Agy99 . . . . . . . . . . 'mlsA1, MUP040c' . 34299 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 34299 _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 BL21(DE3)' . . 469008 . . . TUNER . . . . . . . . 34299 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34299 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.8 mM [U-13C; U-15N] mH0ACPa, 150 mM sodium chloride, 45 mM sodium phosphate, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _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 mH0ACPa '[U-13C; U-15N]' . . 1 $entity_1 . . 0.8 . . mM 0.05 . . . 34299 1 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM 10 . . . 34299 1 3 'sodium phosphate' 'natural abundance' . . . . . . 45 . . mM 10 . . . 34299 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34299 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.8 mM [U-15N] mH0ACPa, 150 mM sodium chloride, 45 mM sodium phosphate, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _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 mH0ACPa [U-15N] . . 1 $entity_1 . . 0.8 . . mM 0.05 . . . 34299 2 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM 10 . . . 34299 2 3 'sodium phosphate' 'natural abundance' . . . . . . 45 . . mM 10 . . . 34299 2 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 34299 _Sample_condition_list.ID 1 _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' 150 10 mM 34299 1 pH 7.5 0.05 pD 34299 1 pressure 1 0.01 atm 34299 1 temperature 298 0.5 K 34299 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 34299 _Sample_condition_list.ID 2 _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' 150 10 mM 34299 2 pH 7.5 0.05 pD 34299 2 pressure 1 0.01 atm 34299 2 temperature 298 0.5 K 34299 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34299 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34299 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 34299 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34299 _Software.ID 2 _Software.Type . _Software.Name AZARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Boucher . . 34299 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 34299 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34299 _Software.ID 3 _Software.Type . _Software.Name Analysis _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34299 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 34299 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34299 _Software.ID 4 _Software.Type . _Software.Name ARIA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 34299 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 34299 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 34299 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34299 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 34299 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34299 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker Avance . 500 . . . 34299 1 2 NMR_spectrometer_2 Bruker Avance . 800 . . . 34299 1 3 NMR_spectrometer_3 Bruker Avance . 600 . . . 34299 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 34299 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34299 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34299 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34299 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34299 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34299 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34299 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34299 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 34299 _Chem_shift_reference.ID 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 TSP 'methyl carbons' . . . . ppm 0.0 internal direct 1.0 . . . . . 34299 1 H 1 TSP 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . 34299 1 N 15 TSP 'methyl protons' . . . . ppm 0.0 na indirect 0.10132912 . . . . . 34299 1 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 34299 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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' . . . 34299 1 2 '3D 1H-15N NOESY' . . . 34299 1 3 '3D HNCA' . . . 34299 1 4 '3D HN(CO)CA' . . . 34299 1 5 '3D CBCA(CO)NH' . . . 34299 1 6 '3D HNCACB' . . . 34299 1 7 '3D 1H-13C NOESY' . . . 34299 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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 1 1 GLY HA2 H 1 3.871 0.003 . 1 . . . . A 1 GLY HA2 . 34299 1 2 . 1 1 1 1 GLY HA3 H 1 3.871 0.003 . 1 . . . . A 1 GLY HA3 . 34299 1 3 . 1 1 1 1 GLY CA C 13 43.628 0.034 . 1 . . . . A 1 GLY CA . 34299 1 4 . 1 1 3 3 THR HA H 1 4.365 0.005 . 1 . . . . A 3 THR HA . 34299 1 5 . 1 1 3 3 THR HB H 1 4.279 0.003 . 1 . . . . A 3 THR HB . 34299 1 6 . 1 1 3 3 THR HG21 H 1 1.25 0.016 . 1 . . . . A 3 THR HG21 . 34299 1 7 . 1 1 3 3 THR HG22 H 1 1.25 0.016 . 1 . . . . A 3 THR HG22 . 34299 1 8 . 1 1 3 3 THR HG23 H 1 1.25 0.016 . 1 . . . . A 3 THR HG23 . 34299 1 9 . 1 1 3 3 THR CA C 13 62.145 0.041 . 1 . . . . A 3 THR CA . 34299 1 10 . 1 1 3 3 THR CB C 13 69.476 0.047 . 1 . . . . A 3 THR CB . 34299 1 11 . 1 1 3 3 THR CG2 C 13 21.619 0.028 . 1 . . . . A 3 THR CG2 . 34299 1 12 . 1 1 4 4 ALA H H 1 8.432 0.038 . 1 . . . . A 4 ALA H . 34299 1 13 . 1 1 4 4 ALA HA H 1 4.441 0.028 . 1 . . . . A 4 ALA HA . 34299 1 14 . 1 1 4 4 ALA HB1 H 1 1.402 0.031 . 1 . . . . A 4 ALA HB1 . 34299 1 15 . 1 1 4 4 ALA HB2 H 1 1.402 0.031 . 1 . . . . A 4 ALA HB2 . 34299 1 16 . 1 1 4 4 ALA HB3 H 1 1.402 0.031 . 1 . . . . A 4 ALA HB3 . 34299 1 17 . 1 1 4 4 ALA C C 13 177.772 0 . 1 . . . . A 4 ALA C . 34299 1 18 . 1 1 4 4 ALA CA C 13 52.7 0.045 . 1 . . . . A 4 ALA CA . 34299 1 19 . 1 1 4 4 ALA CB C 13 19.012 0.056 . 1 . . . . A 4 ALA CB . 34299 1 20 . 1 1 4 4 ALA N N 15 126.623 0.055 . 1 . . . . A 4 ALA N . 34299 1 21 . 1 1 5 5 THR H H 1 8.123 0.038 . 1 . . . . A 5 THR H . 34299 1 22 . 1 1 5 5 THR HA H 1 4.426 0.014 . 1 . . . . A 5 THR HA . 34299 1 23 . 1 1 5 5 THR HB H 1 4.41 0.005 . 1 . . . . A 5 THR HB . 34299 1 24 . 1 1 5 5 THR HG21 H 1 1.245 0.006 . 1 . . . . A 5 THR HG21 . 34299 1 25 . 1 1 5 5 THR HG22 H 1 1.245 0.006 . 1 . . . . A 5 THR HG22 . 34299 1 26 . 1 1 5 5 THR HG23 H 1 1.245 0.006 . 1 . . . . A 5 THR HG23 . 34299 1 27 . 1 1 5 5 THR C C 13 175.215 0 . 1 . . . . A 5 THR C . 34299 1 28 . 1 1 5 5 THR CA C 13 61.689 0.046 . 1 . . . . A 5 THR CA . 34299 1 29 . 1 1 5 5 THR CB C 13 70.168 0.073 . 1 . . . . A 5 THR CB . 34299 1 30 . 1 1 5 5 THR CG2 C 13 21.759 0.015 . 1 . . . . A 5 THR CG2 . 34299 1 31 . 1 1 5 5 THR N N 15 113.111 0.026 . 1 . . . . A 5 THR N . 34299 1 32 . 1 1 6 6 LEU H H 1 8.223 0.032 . 1 . . . . A 6 LEU H . 34299 1 33 . 1 1 6 6 LEU HA H 1 4.235 0.012 . 1 . . . . A 6 LEU HA . 34299 1 34 . 1 1 6 6 LEU HB2 H 1 1.575 0.02 . 2 . . . . A 6 LEU HB2 . 34299 1 35 . 1 1 6 6 LEU HB3 H 1 1.672 0.014 . 2 . . . . A 6 LEU HB3 . 34299 1 36 . 1 1 6 6 LEU HG H 1 1.572 0.007 . 1 . . . . A 6 LEU HG . 34299 1 37 . 1 1 6 6 LEU HD11 H 1 0.892 0.011 . 2 . . . . A 6 LEU HD11 . 34299 1 38 . 1 1 6 6 LEU HD12 H 1 0.892 0.011 . 2 . . . . A 6 LEU HD12 . 34299 1 39 . 1 1 6 6 LEU HD13 H 1 0.892 0.011 . 2 . . . . A 6 LEU HD13 . 34299 1 40 . 1 1 6 6 LEU HD21 H 1 0.922 0.013 . 2 . . . . A 6 LEU HD21 . 34299 1 41 . 1 1 6 6 LEU HD22 H 1 0.922 0.013 . 2 . . . . A 6 LEU HD22 . 34299 1 42 . 1 1 6 6 LEU HD23 H 1 0.922 0.013 . 2 . . . . A 6 LEU HD23 . 34299 1 43 . 1 1 6 6 LEU C C 13 179.1 0 . 1 . . . . A 6 LEU C . 34299 1 44 . 1 1 6 6 LEU CA C 13 56.89 0.05 . 1 . . . . A 6 LEU CA . 34299 1 45 . 1 1 6 6 LEU CB C 13 42.09 0.041 . 1 . . . . A 6 LEU CB . 34299 1 46 . 1 1 6 6 LEU CG C 13 26.814 0.023 . 1 . . . . A 6 LEU CG . 34299 1 47 . 1 1 6 6 LEU CD1 C 13 23.527 0.039 . 2 . . . . A 6 LEU CD1 . 34299 1 48 . 1 1 6 6 LEU CD2 C 13 24.762 0.041 . 2 . . . . A 6 LEU CD2 . 34299 1 49 . 1 1 6 6 LEU N N 15 123.757 0.114 . 1 . . . . A 6 LEU N . 34299 1 50 . 1 1 7 7 LEU H H 1 8.316 0.026 . 1 . . . . A 7 LEU H . 34299 1 51 . 1 1 7 7 LEU HA H 1 4.187 0.014 . 1 . . . . A 7 LEU HA . 34299 1 52 . 1 1 7 7 LEU HB2 H 1 1.842 0.006 . 2 . . . . A 7 LEU HB2 . 34299 1 53 . 1 1 7 7 LEU HB3 H 1 1.525 0.018 . 2 . . . . A 7 LEU HB3 . 34299 1 54 . 1 1 7 7 LEU HD11 H 1 0.906 0.011 . 2 . . . . A 7 LEU HD11 . 34299 1 55 . 1 1 7 7 LEU HD12 H 1 0.906 0.011 . 2 . . . . A 7 LEU HD12 . 34299 1 56 . 1 1 7 7 LEU HD13 H 1 0.906 0.011 . 2 . . . . A 7 LEU HD13 . 34299 1 57 . 1 1 7 7 LEU HD21 H 1 0.872 0.02 . 2 . . . . A 7 LEU HD21 . 34299 1 58 . 1 1 7 7 LEU HD22 H 1 0.872 0.02 . 2 . . . . A 7 LEU HD22 . 34299 1 59 . 1 1 7 7 LEU HD23 H 1 0.872 0.02 . 2 . . . . A 7 LEU HD23 . 34299 1 60 . 1 1 7 7 LEU C C 13 177.715 0 . 1 . . . . A 7 LEU C . 34299 1 61 . 1 1 7 7 LEU CA C 13 57.539 0.059 . 1 . . . . A 7 LEU CA . 34299 1 62 . 1 1 7 7 LEU CB C 13 42.006 0.045 . 1 . . . . A 7 LEU CB . 34299 1 63 . 1 1 7 7 LEU CG C 13 26.624 0 . 1 . . . . A 7 LEU CG . 34299 1 64 . 1 1 7 7 LEU CD1 C 13 22.887 0.059 . 2 . . . . A 7 LEU CD1 . 34299 1 65 . 1 1 7 7 LEU CD2 C 13 25.656 0.05 . 2 . . . . A 7 LEU CD2 . 34299 1 66 . 1 1 7 7 LEU N N 15 119.657 0.068 . 1 . . . . A 7 LEU N . 34299 1 67 . 1 1 8 8 THR H H 1 8.004 0.028 . 1 . . . . A 8 THR H . 34299 1 68 . 1 1 8 8 THR HA H 1 3.717 0.004 . 1 . . . . A 8 THR HA . 34299 1 69 . 1 1 8 8 THR HB H 1 4.268 0.004 . 1 . . . . A 8 THR HB . 34299 1 70 . 1 1 8 8 THR HG21 H 1 1.292 0.011 . 1 . . . . A 8 THR HG21 . 34299 1 71 . 1 1 8 8 THR HG22 H 1 1.292 0.011 . 1 . . . . A 8 THR HG22 . 34299 1 72 . 1 1 8 8 THR HG23 H 1 1.292 0.011 . 1 . . . . A 8 THR HG23 . 34299 1 73 . 1 1 8 8 THR C C 13 176.94 0 . 1 . . . . A 8 THR C . 34299 1 74 . 1 1 8 8 THR CA C 13 66.554 0.09 . 1 . . . . A 8 THR CA . 34299 1 75 . 1 1 8 8 THR CB C 13 68.014 0.09 . 1 . . . . A 8 THR CB . 34299 1 76 . 1 1 8 8 THR CG2 C 13 22.191 0.061 . 1 . . . . A 8 THR CG2 . 34299 1 77 . 1 1 8 8 THR N N 15 112.135 0.022 . 1 . . . . A 8 THR N . 34299 1 78 . 1 1 9 9 SER H H 1 7.875 0.032 . 1 . . . . A 9 SER H . 34299 1 79 . 1 1 9 9 SER HA H 1 4.304 0.008 . 1 . . . . A 9 SER HA . 34299 1 80 . 1 1 9 9 SER HB2 H 1 3.994 0.006 . 2 . . . . A 9 SER HB2 . 34299 1 81 . 1 1 9 9 SER HB3 H 1 4.062 0.001 . 2 . . . . A 9 SER HB3 . 34299 1 82 . 1 1 9 9 SER C C 13 176.206 0 . 1 . . . . A 9 SER C . 34299 1 83 . 1 1 9 9 SER CA C 13 61.142 0.08 . 1 . . . . A 9 SER CA . 34299 1 84 . 1 1 9 9 SER CB C 13 62.66 0.052 . 1 . . . . A 9 SER CB . 34299 1 85 . 1 1 9 9 SER N N 15 115.888 0.025 . 1 . . . . A 9 SER N . 34299 1 86 . 1 1 10 10 LYS H H 1 7.719 0.03 . 1 . . . . A 10 LYS H . 34299 1 87 . 1 1 10 10 LYS HA H 1 4.218 0.008 . 1 . . . . A 10 LYS HA . 34299 1 88 . 1 1 10 10 LYS HB2 H 1 1.928 0.01 . 2 . . . . A 10 LYS HB2 . 34299 1 89 . 1 1 10 10 LYS HB3 H 1 1.836 0 . 1 . . . . A 10 LYS HB3 . 34299 1 90 . 1 1 10 10 LYS HG2 H 1 1.598 0.001 . 2 . . . . A 10 LYS HG2 . 34299 1 91 . 1 1 10 10 LYS HG3 H 1 1.47 0.005 . 2 . . . . A 10 LYS HG3 . 34299 1 92 . 1 1 10 10 LYS HD2 H 1 1.657 0.002 . 2 . . . . A 10 LYS HD2 . 34299 1 93 . 1 1 10 10 LYS HD3 H 1 1.608 0.003 . 2 . . . . A 10 LYS HD3 . 34299 1 94 . 1 1 10 10 LYS HE2 H 1 2.963 0.013 . 1 . . . . A 10 LYS HE2 . 34299 1 95 . 1 1 10 10 LYS C C 13 177.566 0 . 1 . . . . A 10 LYS C . 34299 1 96 . 1 1 10 10 LYS CA C 13 57.9 0.041 . 1 . . . . A 10 LYS CA . 34299 1 97 . 1 1 10 10 LYS CB C 13 32.783 0.035 . 1 . . . . A 10 LYS CB . 34299 1 98 . 1 1 10 10 LYS CG C 13 24.973 0.046 . 1 . . . . A 10 LYS CG . 34299 1 99 . 1 1 10 10 LYS CD C 13 29.055 0.049 . 1 . . . . A 10 LYS CD . 34299 1 100 . 1 1 10 10 LYS CE C 13 41.826 0.003 . 1 . . . . A 10 LYS CE . 34299 1 101 . 1 1 10 10 LYS N N 15 121.3 0.076 . 1 . . . . A 10 LYS N . 34299 1 102 . 1 1 11 11 LEU H H 1 7.593 0.028 . 1 . . . . A 11 LEU H . 34299 1 103 . 1 1 11 11 LEU HA H 1 4.347 0.008 . 1 . . . . A 11 LEU HA . 34299 1 104 . 1 1 11 11 LEU HB2 H 1 1.478 0.035 . 2 . . . . A 11 LEU HB2 . 34299 1 105 . 1 1 11 11 LEU HB3 H 1 1.767 0.028 . 2 . . . . A 11 LEU HB3 . 34299 1 106 . 1 1 11 11 LEU HD11 H 1 0.775 0.011 . 2 . . . . A 11 LEU HD11 . 34299 1 107 . 1 1 11 11 LEU HD12 H 1 0.775 0.011 . 2 . . . . A 11 LEU HD12 . 34299 1 108 . 1 1 11 11 LEU HD13 H 1 0.775 0.011 . 2 . . . . A 11 LEU HD13 . 34299 1 109 . 1 1 11 11 LEU HD21 H 1 0.756 0.013 . 2 . . . . A 11 LEU HD21 . 34299 1 110 . 1 1 11 11 LEU HD22 H 1 0.756 0.013 . 2 . . . . A 11 LEU HD22 . 34299 1 111 . 1 1 11 11 LEU HD23 H 1 0.756 0.013 . 2 . . . . A 11 LEU HD23 . 34299 1 112 . 1 1 11 11 LEU C C 13 177.3 0 . 1 . . . . A 11 LEU C . 34299 1 113 . 1 1 11 11 LEU CA C 13 54.951 0.06 . 1 . . . . A 11 LEU CA . 34299 1 114 . 1 1 11 11 LEU CB C 13 42.183 0.047 . 1 . . . . A 11 LEU CB . 34299 1 115 . 1 1 11 11 LEU CD1 C 13 22.651 0.069 . 2 . . . . A 11 LEU CD1 . 34299 1 116 . 1 1 11 11 LEU CD2 C 13 26.123 0.06 . 2 . . . . A 11 LEU CD2 . 34299 1 117 . 1 1 11 11 LEU N N 15 115.546 0.055 . 1 . . . . A 11 LEU N . 34299 1 118 . 1 1 12 12 ALA H H 1 7.322 0.025 . 1 . . . . A 12 ALA H . 34299 1 119 . 1 1 12 12 ALA HA H 1 4.132 0.007 . 1 . . . . A 12 ALA HA . 34299 1 120 . 1 1 12 12 ALA HB1 H 1 1.455 0.025 . 1 . . . . A 12 ALA HB1 . 34299 1 121 . 1 1 12 12 ALA HB2 H 1 1.455 0.025 . 1 . . . . A 12 ALA HB2 . 34299 1 122 . 1 1 12 12 ALA HB3 H 1 1.455 0.025 . 1 . . . . A 12 ALA HB3 . 34299 1 123 . 1 1 12 12 ALA C C 13 178.569 0 . 1 . . . . A 12 ALA C . 34299 1 124 . 1 1 12 12 ALA CA C 13 53.979 0.058 . 1 . . . . A 12 ALA CA . 34299 1 125 . 1 1 12 12 ALA CB C 13 18.228 0.092 . 1 . . . . A 12 ALA CB . 34299 1 126 . 1 1 12 12 ALA N N 15 122.279 0.018 . 1 . . . . A 12 ALA N . 34299 1 127 . 1 1 13 13 GLY H H 1 8.718 0.039 . 1 . . . . A 13 GLY H . 34299 1 128 . 1 1 13 13 GLY HA2 H 1 4.086 0.006 . 2 . . . . A 13 GLY HA2 . 34299 1 129 . 1 1 13 13 GLY HA3 H 1 3.837 0.009 . 2 . . . . A 13 GLY HA3 . 34299 1 130 . 1 1 13 13 GLY C C 13 173.949 0 . 1 . . . . A 13 GLY C . 34299 1 131 . 1 1 13 13 GLY CA C 13 45.387 0.067 . 1 . . . . A 13 GLY CA . 34299 1 132 . 1 1 13 13 GLY N N 15 110.038 0.043 . 1 . . . . A 13 GLY N . 34299 1 133 . 1 1 14 14 LEU H H 1 7.36 0.024 . 1 . . . . A 14 LEU H . 34299 1 134 . 1 1 14 14 LEU HA H 1 4.732 0.009 . 1 . . . . A 14 LEU HA . 34299 1 135 . 1 1 14 14 LEU HB2 H 1 1.742 0.02 . 2 . . . . A 14 LEU HB2 . 34299 1 136 . 1 1 14 14 LEU HB3 H 1 1.909 0.008 . 2 . . . . A 14 LEU HB3 . 34299 1 137 . 1 1 14 14 LEU HG H 1 1.921 0.011 . 1 . . . . A 14 LEU HG . 34299 1 138 . 1 1 14 14 LEU HD11 H 1 0.863 0.021 . 2 . . . . A 14 LEU HD11 . 34299 1 139 . 1 1 14 14 LEU HD12 H 1 0.863 0.021 . 2 . . . . A 14 LEU HD12 . 34299 1 140 . 1 1 14 14 LEU HD13 H 1 0.863 0.021 . 2 . . . . A 14 LEU HD13 . 34299 1 141 . 1 1 14 14 LEU HD21 H 1 0.896 0.01 . 2 . . . . A 14 LEU HD21 . 34299 1 142 . 1 1 14 14 LEU HD22 H 1 0.896 0.01 . 2 . . . . A 14 LEU HD22 . 34299 1 143 . 1 1 14 14 LEU HD23 H 1 0.896 0.01 . 2 . . . . A 14 LEU HD23 . 34299 1 144 . 1 1 14 14 LEU C C 13 177.952 0 . 1 . . . . A 14 LEU C . 34299 1 145 . 1 1 14 14 LEU CA C 13 53.705 0.05 . 1 . . . . A 14 LEU CA . 34299 1 146 . 1 1 14 14 LEU CB C 13 43.096 0.052 . 1 . . . . A 14 LEU CB . 34299 1 147 . 1 1 14 14 LEU CG C 13 26.139 0.115 . 1 . . . . A 14 LEU CG . 34299 1 148 . 1 1 14 14 LEU CD1 C 13 21.955 0.054 . 2 . . . . A 14 LEU CD1 . 34299 1 149 . 1 1 14 14 LEU CD2 C 13 26.18 0.054 . 2 . . . . A 14 LEU CD2 . 34299 1 150 . 1 1 14 14 LEU N N 15 120.519 0.065 . 1 . . . . A 14 LEU N . 34299 1 151 . 1 1 15 15 THR H H 1 8.833 0.048 . 1 . . . . A 15 THR H . 34299 1 152 . 1 1 15 15 THR HA H 1 4.397 0.006 . 1 . . . . A 15 THR HA . 34299 1 153 . 1 1 15 15 THR HB H 1 4.749 0.004 . 1 . . . . A 15 THR HB . 34299 1 154 . 1 1 15 15 THR HG21 H 1 1.424 0.008 . 1 . . . . A 15 THR HG21 . 34299 1 155 . 1 1 15 15 THR HG22 H 1 1.424 0.008 . 1 . . . . A 15 THR HG22 . 34299 1 156 . 1 1 15 15 THR HG23 H 1 1.424 0.008 . 1 . . . . A 15 THR HG23 . 34299 1 157 . 1 1 15 15 THR C C 13 175.435 0 . 1 . . . . A 15 THR C . 34299 1 158 . 1 1 15 15 THR CA C 13 61.181 0.049 . 1 . . . . A 15 THR CA . 34299 1 159 . 1 1 15 15 THR CB C 13 70.952 0.052 . 1 . . . . A 15 THR CB . 34299 1 160 . 1 1 15 15 THR CG2 C 13 21.657 0.059 . 1 . . . . A 15 THR CG2 . 34299 1 161 . 1 1 15 15 THR N N 15 112.337 0.024 . 1 . . . . A 15 THR N . 34299 1 162 . 1 1 16 16 ALA H H 1 9.076 0.032 . 1 . . . . A 16 ALA H . 34299 1 163 . 1 1 16 16 ALA HA H 1 4.166 0.005 . 1 . . . . A 16 ALA HA . 34299 1 164 . 1 1 16 16 ALA HB1 H 1 1.531 0.008 . 1 . . . . A 16 ALA HB1 . 34299 1 165 . 1 1 16 16 ALA HB2 H 1 1.531 0.008 . 1 . . . . A 16 ALA HB2 . 34299 1 166 . 1 1 16 16 ALA HB3 H 1 1.531 0.008 . 1 . . . . A 16 ALA HB3 . 34299 1 167 . 1 1 16 16 ALA C C 13 180.607 0 . 1 . . . . A 16 ALA C . 34299 1 168 . 1 1 16 16 ALA CA C 13 55.783 0.035 . 1 . . . . A 16 ALA CA . 34299 1 169 . 1 1 16 16 ALA CB C 13 17.898 0.054 . 1 . . . . A 16 ALA CB . 34299 1 170 . 1 1 16 16 ALA N N 15 124.544 0.046 . 1 . . . . A 16 ALA N . 34299 1 171 . 1 1 17 17 THR H H 1 8.214 0.036 . 1 . . . . A 17 THR H . 34299 1 172 . 1 1 17 17 THR HA H 1 3.976 0.016 . 1 . . . . A 17 THR HA . 34299 1 173 . 1 1 17 17 THR HB H 1 4.108 0.008 . 1 . . . . A 17 THR HB . 34299 1 174 . 1 1 17 17 THR HG21 H 1 1.304 0.005 . 1 . . . . A 17 THR HG21 . 34299 1 175 . 1 1 17 17 THR HG22 H 1 1.304 0.005 . 1 . . . . A 17 THR HG22 . 34299 1 176 . 1 1 17 17 THR HG23 H 1 1.304 0.005 . 1 . . . . A 17 THR HG23 . 34299 1 177 . 1 1 17 17 THR C C 13 177.386 0 . 1 . . . . A 17 THR C . 34299 1 178 . 1 1 17 17 THR CA C 13 66.081 0.06 . 1 . . . . A 17 THR CA . 34299 1 179 . 1 1 17 17 THR CB C 13 68.52 0.045 . 1 . . . . A 17 THR CB . 34299 1 180 . 1 1 17 17 THR CG2 C 13 21.666 0.075 . 1 . . . . A 17 THR CG2 . 34299 1 181 . 1 1 17 17 THR N N 15 112.019 0.066 . 1 . . . . A 17 THR N . 34299 1 182 . 1 1 18 18 GLU H H 1 7.577 0.032 . 1 . . . . A 18 GLU H . 34299 1 183 . 1 1 18 18 GLU HA H 1 4.179 0.011 . 1 . . . . A 18 GLU HA . 34299 1 184 . 1 1 18 18 GLU HB2 H 1 2.079 0.024 . 2 . . . . A 18 GLU HB2 . 34299 1 185 . 1 1 18 18 GLU HB3 H 1 2.384 0.018 . 2 . . . . A 18 GLU HB3 . 34299 1 186 . 1 1 18 18 GLU HG2 H 1 2.29 0.011 . 2 . . . . A 18 GLU HG2 . 34299 1 187 . 1 1 18 18 GLU HG3 H 1 2.359 0.005 . 2 . . . . A 18 GLU HG3 . 34299 1 188 . 1 1 18 18 GLU C C 13 178.994 0 . 1 . . . . A 18 GLU C . 34299 1 189 . 1 1 18 18 GLU CA C 13 58.865 0.078 . 1 . . . . A 18 GLU CA . 34299 1 190 . 1 1 18 18 GLU CB C 13 30.703 0.032 . 1 . . . . A 18 GLU CB . 34299 1 191 . 1 1 18 18 GLU CG C 13 37.032 0.048 . 1 . . . . A 18 GLU CG . 34299 1 192 . 1 1 18 18 GLU N N 15 124.424 0.054 . 1 . . . . A 18 GLU N . 34299 1 193 . 1 1 19 19 GLN H H 1 9.14 0.036 . 1 . . . . A 19 GLN H . 34299 1 194 . 1 1 19 19 GLN HA H 1 3.847 0.005 . 1 . . . . A 19 GLN HA . 34299 1 195 . 1 1 19 19 GLN HB2 H 1 1.9 0.009 . 2 . . . . A 19 GLN HB2 . 34299 1 196 . 1 1 19 19 GLN HB3 H 1 2.467 0.011 . 2 . . . . A 19 GLN HB3 . 34299 1 197 . 1 1 19 19 GLN HG2 H 1 2.254 0.008 . 2 . . . . A 19 GLN HG2 . 34299 1 198 . 1 1 19 19 GLN HG3 H 1 2.865 0.011 . 2 . . . . A 19 GLN HG3 . 34299 1 199 . 1 1 19 19 GLN HE21 H 1 7.134 0.024 . 1 . . . . A 19 GLN HE21 . 34299 1 200 . 1 1 19 19 GLN HE22 H 1 6.776 0.033 . 1 . . . . A 19 GLN HE22 . 34299 1 201 . 1 1 19 19 GLN C C 13 179.628 0 . 1 . . . . A 19 GLN C . 34299 1 202 . 1 1 19 19 GLN CA C 13 59.088 0.076 . 1 . . . . A 19 GLN CA . 34299 1 203 . 1 1 19 19 GLN CB C 13 28.065 0.048 . 1 . . . . A 19 GLN CB . 34299 1 204 . 1 1 19 19 GLN CG C 13 34.957 0.072 . 1 . . . . A 19 GLN CG . 34299 1 205 . 1 1 19 19 GLN CD C 13 177.493 0.013 . 1 . . . . A 19 GLN CD . 34299 1 206 . 1 1 19 19 GLN N N 15 119.204 0.828 . 1 . . . . A 19 GLN N . 34299 1 207 . 1 1 19 19 GLN NE2 N 15 110.002 0.058 . 1 . . . . A 19 GLN NE2 . 34299 1 208 . 1 1 20 20 ARG H H 1 7.973 0.03 . 1 . . . . A 20 ARG H . 34299 1 209 . 1 1 20 20 ARG HA H 1 3.902 0.009 . 1 . . . . A 20 ARG HA . 34299 1 210 . 1 1 20 20 ARG HB2 H 1 1.824 0.022 . 2 . . . . A 20 ARG HB2 . 34299 1 211 . 1 1 20 20 ARG HB3 H 1 1.933 0.014 . 2 . . . . A 20 ARG HB3 . 34299 1 212 . 1 1 20 20 ARG HG2 H 1 1.757 0.015 . 2 . . . . A 20 ARG HG2 . 34299 1 213 . 1 1 20 20 ARG HG3 H 1 1.516 0.01 . 2 . . . . A 20 ARG HG3 . 34299 1 214 . 1 1 20 20 ARG HD2 H 1 3.191 0.008 . 1 . . . . A 20 ARG HD2 . 34299 1 215 . 1 1 20 20 ARG HE H 1 8.387 0.039 . 1 . . . . A 20 ARG HE . 34299 1 216 . 1 1 20 20 ARG C C 13 177.436 0 . 1 . . . . A 20 ARG C . 34299 1 217 . 1 1 20 20 ARG CA C 13 60.192 0.044 . 1 . . . . A 20 ARG CA . 34299 1 218 . 1 1 20 20 ARG CB C 13 29.74 0.099 . 1 . . . . A 20 ARG CB . 34299 1 219 . 1 1 20 20 ARG CG C 13 29.377 0.036 . 1 . . . . A 20 ARG CG . 34299 1 220 . 1 1 20 20 ARG CD C 13 43.119 0.028 . 1 . . . . A 20 ARG CD . 34299 1 221 . 1 1 20 20 ARG N N 15 120.634 0.059 . 1 . . . . A 20 ARG N . 34299 1 222 . 1 1 20 20 ARG NE N 15 86.055 0.022 . 1 . . . . A 20 ARG NE . 34299 1 223 . 1 1 21 21 ALA H H 1 7.691 0.026 . 1 . . . . A 21 ALA H . 34299 1 224 . 1 1 21 21 ALA HA H 1 4.119 0.012 . 1 . . . . A 21 ALA HA . 34299 1 225 . 1 1 21 21 ALA HB1 H 1 1.582 0.008 . 1 . . . . A 21 ALA HB1 . 34299 1 226 . 1 1 21 21 ALA HB2 H 1 1.582 0.008 . 1 . . . . A 21 ALA HB2 . 34299 1 227 . 1 1 21 21 ALA HB3 H 1 1.582 0.008 . 1 . . . . A 21 ALA HB3 . 34299 1 228 . 1 1 21 21 ALA C C 13 181.069 0 . 1 . . . . A 21 ALA C . 34299 1 229 . 1 1 21 21 ALA CA C 13 55.62 0.035 . 1 . . . . A 21 ALA CA . 34299 1 230 . 1 1 21 21 ALA CB C 13 17.919 0.045 . 1 . . . . A 21 ALA CB . 34299 1 231 . 1 1 21 21 ALA N N 15 122.574 0.102 . 1 . . . . A 21 ALA N . 34299 1 232 . 1 1 22 22 VAL H H 1 8.498 0.026 . 1 . . . . A 22 VAL H . 34299 1 233 . 1 1 22 22 VAL HA H 1 3.715 0.006 . 1 . . . . A 22 VAL HA . 34299 1 234 . 1 1 22 22 VAL HB H 1 2.032 0.03 . 1 . . . . A 22 VAL HB . 34299 1 235 . 1 1 22 22 VAL HG11 H 1 0.869 0.011 . 2 . . . . A 22 VAL HG11 . 34299 1 236 . 1 1 22 22 VAL HG12 H 1 0.869 0.011 . 2 . . . . A 22 VAL HG12 . 34299 1 237 . 1 1 22 22 VAL HG13 H 1 0.869 0.011 . 2 . . . . A 22 VAL HG13 . 34299 1 238 . 1 1 22 22 VAL HG21 H 1 1.089 0.006 . 2 . . . . A 22 VAL HG21 . 34299 1 239 . 1 1 22 22 VAL HG22 H 1 1.089 0.006 . 2 . . . . A 22 VAL HG22 . 34299 1 240 . 1 1 22 22 VAL HG23 H 1 1.089 0.006 . 2 . . . . A 22 VAL HG23 . 34299 1 241 . 1 1 22 22 VAL C C 13 178.83 0 . 1 . . . . A 22 VAL C . 34299 1 242 . 1 1 22 22 VAL CA C 13 66.017 0.081 . 1 . . . . A 22 VAL CA . 34299 1 243 . 1 1 22 22 VAL CB C 13 32.011 0.055 . 1 . . . . A 22 VAL CB . 34299 1 244 . 1 1 22 22 VAL CG1 C 13 21.138 0.056 . 2 . . . . A 22 VAL CG1 . 34299 1 245 . 1 1 22 22 VAL CG2 C 13 22.919 0.057 . 2 . . . . A 22 VAL CG2 . 34299 1 246 . 1 1 22 22 VAL N N 15 119.022 0.042 . 1 . . . . A 22 VAL N . 34299 1 247 . 1 1 23 23 THR H H 1 8.022 0.037 . 1 . . . . A 23 THR H . 34299 1 248 . 1 1 23 23 THR HA H 1 4.098 0.013 . 1 . . . . A 23 THR HA . 34299 1 249 . 1 1 23 23 THR HB H 1 3.804 0.007 . 1 . . . . A 23 THR HB . 34299 1 250 . 1 1 23 23 THR HG21 H 1 1.236 0.01 . 1 . . . . A 23 THR HG21 . 34299 1 251 . 1 1 23 23 THR HG22 H 1 1.236 0.01 . 1 . . . . A 23 THR HG22 . 34299 1 252 . 1 1 23 23 THR HG23 H 1 1.236 0.01 . 1 . . . . A 23 THR HG23 . 34299 1 253 . 1 1 23 23 THR C C 13 176.112 0 . 1 . . . . A 23 THR C . 34299 1 254 . 1 1 23 23 THR CA C 13 67.619 0.055 . 1 . . . . A 23 THR CA . 34299 1 255 . 1 1 23 23 THR CB C 13 67.618 0.048 . 1 . . . . A 23 THR CB . 34299 1 256 . 1 1 23 23 THR CG2 C 13 22.711 0.062 . 1 . . . . A 23 THR CG2 . 34299 1 257 . 1 1 23 23 THR N N 15 117.578 0.056 . 1 . . . . A 23 THR N . 34299 1 258 . 1 1 24 24 ARG H H 1 8.553 0.027 . 1 . . . . A 24 ARG H . 34299 1 259 . 1 1 24 24 ARG HA H 1 3.738 0.008 . 1 . . . . A 24 ARG HA . 34299 1 260 . 1 1 24 24 ARG HB2 H 1 1.8 0.01 . 2 . . . . A 24 ARG HB2 . 34299 1 261 . 1 1 24 24 ARG HB3 H 1 1.911 0.01 . 2 . . . . A 24 ARG HB3 . 34299 1 262 . 1 1 24 24 ARG HD2 H 1 3.075 0.024 . 2 . . . . A 24 ARG HD2 . 34299 1 263 . 1 1 24 24 ARG HD3 H 1 3.028 0.008 . 2 . . . . A 24 ARG HD3 . 34299 1 264 . 1 1 24 24 ARG HE H 1 8.614 0.037 . 1 . . . . A 24 ARG HE . 34299 1 265 . 1 1 24 24 ARG C C 13 177.562 0 . 1 . . . . A 24 ARG C . 34299 1 266 . 1 1 24 24 ARG CA C 13 60.662 0.032 . 1 . . . . A 24 ARG CA . 34299 1 267 . 1 1 24 24 ARG CB C 13 30.313 0.091 . 1 . . . . A 24 ARG CB . 34299 1 268 . 1 1 24 24 ARG CG C 13 28.685 0 . 1 . . . . A 24 ARG CG . 34299 1 269 . 1 1 24 24 ARG CD C 13 43.852 0.035 . 1 . . . . A 24 ARG CD . 34299 1 270 . 1 1 24 24 ARG N N 15 121.775 0.051 . 1 . . . . A 24 ARG N . 34299 1 271 . 1 1 24 24 ARG NE N 15 87.966 0.046 . 1 . . . . A 24 ARG NE . 34299 1 272 . 1 1 25 25 LYS H H 1 7.662 0.028 . 1 . . . . A 25 LYS H . 34299 1 273 . 1 1 25 25 LYS HA H 1 3.984 0.005 . 1 . . . . A 25 LYS HA . 34299 1 274 . 1 1 25 25 LYS HB2 H 1 1.891 0.022 . 2 . . . . A 25 LYS HB2 . 34299 1 275 . 1 1 25 25 LYS HB3 H 1 1.976 0.012 . 2 . . . . A 25 LYS HB3 . 34299 1 276 . 1 1 25 25 LYS HG2 H 1 1.497 0.009 . 1 . . . . A 25 LYS HG2 . 34299 1 277 . 1 1 25 25 LYS HD2 H 1 1.79 0.002 . 2 . . . . A 25 LYS HD2 . 34299 1 278 . 1 1 25 25 LYS HD3 H 1 1.651 0 . 2 . . . . A 25 LYS HD3 . 34299 1 279 . 1 1 25 25 LYS C C 13 176.877 0 . 1 . . . . A 25 LYS C . 34299 1 280 . 1 1 25 25 LYS CA C 13 59.237 0.061 . 1 . . . . A 25 LYS CA . 34299 1 281 . 1 1 25 25 LYS CB C 13 32.162 0.039 . 1 . . . . A 25 LYS CB . 34299 1 282 . 1 1 25 25 LYS CG C 13 24.872 0.024 . 1 . . . . A 25 LYS CG . 34299 1 283 . 1 1 25 25 LYS CD C 13 28.8 0.014 . 1 . . . . A 25 LYS CD . 34299 1 284 . 1 1 25 25 LYS CE C 13 42.387 0 . 1 . . . . A 25 LYS CE . 34299 1 285 . 1 1 25 25 LYS N N 15 118.491 0.077 . 1 . . . . A 25 LYS N . 34299 1 286 . 1 1 26 26 LEU H H 1 7.779 0.025 . 1 . . . . A 26 LEU H . 34299 1 287 . 1 1 26 26 LEU HA H 1 4.342 0.009 . 1 . . . . A 26 LEU HA . 34299 1 288 . 1 1 26 26 LEU HB2 H 1 1.735 0.009 . 2 . . . . A 26 LEU HB2 . 34299 1 289 . 1 1 26 26 LEU HB3 H 1 2.071 0.009 . 2 . . . . A 26 LEU HB3 . 34299 1 290 . 1 1 26 26 LEU HG H 1 1.636 0.01 . 1 . . . . A 26 LEU HG . 34299 1 291 . 1 1 26 26 LEU HD11 H 1 0.775 0.008 . 2 . . . . A 26 LEU HD11 . 34299 1 292 . 1 1 26 26 LEU HD12 H 1 0.775 0.008 . 2 . . . . A 26 LEU HD12 . 34299 1 293 . 1 1 26 26 LEU HD13 H 1 0.775 0.008 . 2 . . . . A 26 LEU HD13 . 34299 1 294 . 1 1 26 26 LEU HD21 H 1 0.926 0.011 . 2 . . . . A 26 LEU HD21 . 34299 1 295 . 1 1 26 26 LEU HD22 H 1 0.926 0.011 . 2 . . . . A 26 LEU HD22 . 34299 1 296 . 1 1 26 26 LEU HD23 H 1 0.926 0.011 . 2 . . . . A 26 LEU HD23 . 34299 1 297 . 1 1 26 26 LEU C C 13 178.845 0 . 1 . . . . A 26 LEU C . 34299 1 298 . 1 1 26 26 LEU CA C 13 58.498 0.031 . 1 . . . . A 26 LEU CA . 34299 1 299 . 1 1 26 26 LEU CB C 13 41.609 0.05 . 1 . . . . A 26 LEU CB . 34299 1 300 . 1 1 26 26 LEU CG C 13 26.987 0.09 . 1 . . . . A 26 LEU CG . 34299 1 301 . 1 1 26 26 LEU CD2 C 13 25.204 0.089 . 1 . . . . A 26 LEU CD2 . 34299 1 302 . 1 1 26 26 LEU N N 15 120.053 0.086 . 1 . . . . A 26 LEU N . 34299 1 303 . 1 1 27 27 VAL H H 1 7.947 0.028 . 1 . . . . A 27 VAL H . 34299 1 304 . 1 1 27 27 VAL HA H 1 3.438 0.008 . 1 . . . . A 27 VAL HA . 34299 1 305 . 1 1 27 27 VAL HB H 1 2.277 0.025 . 1 . . . . A 27 VAL HB . 34299 1 306 . 1 1 27 27 VAL HG11 H 1 1.101 0.022 . 2 . . . . A 27 VAL HG11 . 34299 1 307 . 1 1 27 27 VAL HG12 H 1 1.101 0.022 . 2 . . . . A 27 VAL HG12 . 34299 1 308 . 1 1 27 27 VAL HG13 H 1 1.101 0.022 . 2 . . . . A 27 VAL HG13 . 34299 1 309 . 1 1 27 27 VAL HG21 H 1 1.152 0.009 . 2 . . . . A 27 VAL HG21 . 34299 1 310 . 1 1 27 27 VAL HG22 H 1 1.152 0.009 . 2 . . . . A 27 VAL HG22 . 34299 1 311 . 1 1 27 27 VAL HG23 H 1 1.152 0.009 . 2 . . . . A 27 VAL HG23 . 34299 1 312 . 1 1 27 27 VAL C C 13 177.487 0 . 1 . . . . A 27 VAL C . 34299 1 313 . 1 1 27 27 VAL CA C 13 67.311 0.055 . 1 . . . . A 27 VAL CA . 34299 1 314 . 1 1 27 27 VAL CB C 13 31.584 0.051 . 1 . . . . A 27 VAL CB . 34299 1 315 . 1 1 27 27 VAL CG1 C 13 23.155 0.046 . 2 . . . . A 27 VAL CG1 . 34299 1 316 . 1 1 27 27 VAL CG2 C 13 21.056 0.039 . 2 . . . . A 27 VAL CG2 . 34299 1 317 . 1 1 27 27 VAL N N 15 117.707 0.095 . 1 . . . . A 27 VAL N . 34299 1 318 . 1 1 28 28 LEU H H 1 8.364 0.027 . 1 . . . . A 28 LEU H . 34299 1 319 . 1 1 28 28 LEU HA H 1 3.994 0.01 . 1 . . . . A 28 LEU HA . 34299 1 320 . 1 1 28 28 LEU HB2 H 1 1.978 0.007 . 2 . . . . A 28 LEU HB2 . 34299 1 321 . 1 1 28 28 LEU HB3 H 1 1.574 0.016 . 2 . . . . A 28 LEU HB3 . 34299 1 322 . 1 1 28 28 LEU HG H 1 1.809 0.009 . 1 . . . . A 28 LEU HG . 34299 1 323 . 1 1 28 28 LEU HD11 H 1 0.783 0.01 . 2 . . . . A 28 LEU HD11 . 34299 1 324 . 1 1 28 28 LEU HD12 H 1 0.783 0.01 . 2 . . . . A 28 LEU HD12 . 34299 1 325 . 1 1 28 28 LEU HD13 H 1 0.783 0.01 . 2 . . . . A 28 LEU HD13 . 34299 1 326 . 1 1 28 28 LEU HD21 H 1 0.893 0.012 . 2 . . . . A 28 LEU HD21 . 34299 1 327 . 1 1 28 28 LEU HD22 H 1 0.893 0.012 . 2 . . . . A 28 LEU HD22 . 34299 1 328 . 1 1 28 28 LEU HD23 H 1 0.893 0.012 . 2 . . . . A 28 LEU HD23 . 34299 1 329 . 1 1 28 28 LEU C C 13 178.612 0 . 1 . . . . A 28 LEU C . 34299 1 330 . 1 1 28 28 LEU CA C 13 58.282 0.052 . 1 . . . . A 28 LEU CA . 34299 1 331 . 1 1 28 28 LEU CB C 13 41.847 0.044 . 1 . . . . A 28 LEU CB . 34299 1 332 . 1 1 28 28 LEU CG C 13 26.743 0.061 . 1 . . . . A 28 LEU CG . 34299 1 333 . 1 1 28 28 LEU CD1 C 13 23.415 0.081 . 2 . . . . A 28 LEU CD1 . 34299 1 334 . 1 1 28 28 LEU CD2 C 13 25.182 0.083 . 2 . . . . A 28 LEU CD2 . 34299 1 335 . 1 1 28 28 LEU N N 15 119.859 0.082 . 1 . . . . A 28 LEU N . 34299 1 336 . 1 1 29 29 ASP H H 1 9.274 0.034 . 1 . . . . A 29 ASP H . 34299 1 337 . 1 1 29 29 ASP HA H 1 4.357 0.006 . 1 . . . . A 29 ASP HA . 34299 1 338 . 1 1 29 29 ASP HB2 H 1 2.963 0.012 . 2 . . . . A 29 ASP HB2 . 34299 1 339 . 1 1 29 29 ASP HB3 H 1 2.6 0.019 . 2 . . . . A 29 ASP HB3 . 34299 1 340 . 1 1 29 29 ASP C C 13 180.537 0 . 1 . . . . A 29 ASP C . 34299 1 341 . 1 1 29 29 ASP CA C 13 57.298 0.062 . 1 . . . . A 29 ASP CA . 34299 1 342 . 1 1 29 29 ASP CB C 13 39.851 0.048 . 1 . . . . A 29 ASP CB . 34299 1 343 . 1 1 29 29 ASP N N 15 120.395 0.065 . 1 . . . . A 29 ASP N . 34299 1 344 . 1 1 30 30 GLN H H 1 8.269 0.031 . 1 . . . . A 30 GLN H . 34299 1 345 . 1 1 30 30 GLN HA H 1 4.139 0.015 . 1 . . . . A 30 GLN HA . 34299 1 346 . 1 1 30 30 GLN HB2 H 1 2.02 0.016 . 2 . . . . A 30 GLN HB2 . 34299 1 347 . 1 1 30 30 GLN HB3 H 1 2.101 0.009 . 2 . . . . A 30 GLN HB3 . 34299 1 348 . 1 1 30 30 GLN HG2 H 1 2.821 0.009 . 2 . . . . A 30 GLN HG2 . 34299 1 349 . 1 1 30 30 GLN HG3 H 1 1.995 0.01 . 2 . . . . A 30 GLN HG3 . 34299 1 350 . 1 1 30 30 GLN HE21 H 1 6.857 0.037 . 1 . . . . A 30 GLN HE21 . 34299 1 351 . 1 1 30 30 GLN HE22 H 1 7.102 0.039 . 1 . . . . A 30 GLN HE22 . 34299 1 352 . 1 1 30 30 GLN C C 13 178.047 0 . 1 . . . . A 30 GLN C . 34299 1 353 . 1 1 30 30 GLN CA C 13 57.683 0.04 . 1 . . . . A 30 GLN CA . 34299 1 354 . 1 1 30 30 GLN CB C 13 27.452 0.058 . 1 . . . . A 30 GLN CB . 34299 1 355 . 1 1 30 30 GLN CG C 13 33.668 0.067 . 1 . . . . A 30 GLN CG . 34299 1 356 . 1 1 30 30 GLN CD C 13 177.341 0.012 . 1 . . . . A 30 GLN CD . 34299 1 357 . 1 1 30 30 GLN N N 15 118.721 0.064 . 1 . . . . A 30 GLN N . 34299 1 358 . 1 1 30 30 GLN NE2 N 15 112.344 0.102 . 1 . . . . A 30 GLN NE2 . 34299 1 359 . 1 1 31 31 ALA H H 1 8.883 0.027 . 1 . . . . A 31 ALA H . 34299 1 360 . 1 1 31 31 ALA HA H 1 4.182 0.008 . 1 . . . . A 31 ALA HA . 34299 1 361 . 1 1 31 31 ALA HB1 H 1 1.677 0.015 . 1 . . . . A 31 ALA HB1 . 34299 1 362 . 1 1 31 31 ALA HB2 H 1 1.677 0.015 . 1 . . . . A 31 ALA HB2 . 34299 1 363 . 1 1 31 31 ALA HB3 H 1 1.677 0.015 . 1 . . . . A 31 ALA HB3 . 34299 1 364 . 1 1 31 31 ALA C C 13 178.351 0 . 1 . . . . A 31 ALA C . 34299 1 365 . 1 1 31 31 ALA CA C 13 55.83 0.032 . 1 . . . . A 31 ALA CA . 34299 1 366 . 1 1 31 31 ALA CB C 13 17.319 0.046 . 1 . . . . A 31 ALA CB . 34299 1 367 . 1 1 31 31 ALA N N 15 123.116 0.048 . 1 . . . . A 31 ALA N . 34299 1 368 . 1 1 32 32 ALA H H 1 8.747 0.021 . 1 . . . . A 32 ALA H . 34299 1 369 . 1 1 32 32 ALA HA H 1 3.858 0.006 . 1 . . . . A 32 ALA HA . 34299 1 370 . 1 1 32 32 ALA HB1 H 1 1.524 0.004 . 1 . . . . A 32 ALA HB1 . 34299 1 371 . 1 1 32 32 ALA HB2 H 1 1.524 0.004 . 1 . . . . A 32 ALA HB2 . 34299 1 372 . 1 1 32 32 ALA HB3 H 1 1.524 0.004 . 1 . . . . A 32 ALA HB3 . 34299 1 373 . 1 1 32 32 ALA C C 13 179.184 0 . 1 . . . . A 32 ALA C . 34299 1 374 . 1 1 32 32 ALA CA C 13 55.349 0.066 . 1 . . . . A 32 ALA CA . 34299 1 375 . 1 1 32 32 ALA CB C 13 18.056 0.041 . 1 . . . . A 32 ALA CB . 34299 1 376 . 1 1 32 32 ALA N N 15 119.157 0.099 . 1 . . . . A 32 ALA N . 34299 1 377 . 1 1 33 33 SER H H 1 7.667 0.029 . 1 . . . . A 33 SER H . 34299 1 378 . 1 1 33 33 SER HA H 1 4.314 0.013 . 1 . . . . A 33 SER HA . 34299 1 379 . 1 1 33 33 SER HB2 H 1 4.055 0.006 . 1 . . . . A 33 SER HB2 . 34299 1 380 . 1 1 33 33 SER C C 13 178.379 0 . 1 . . . . A 33 SER C . 34299 1 381 . 1 1 33 33 SER CA C 13 61.021 0.07 . 1 . . . . A 33 SER CA . 34299 1 382 . 1 1 33 33 SER CB C 13 62.762 0.076 . 1 . . . . A 33 SER CB . 34299 1 383 . 1 1 33 33 SER N N 15 112 0.136 . 1 . . . . A 33 SER N . 34299 1 384 . 1 1 34 34 VAL H H 1 8.008 0.023 . 1 . . . . A 34 VAL H . 34299 1 385 . 1 1 34 34 VAL HA H 1 3.71 0.011 . 1 . . . . A 34 VAL HA . 34299 1 386 . 1 1 34 34 VAL HB H 1 2.25 0.016 . 1 . . . . A 34 VAL HB . 34299 1 387 . 1 1 34 34 VAL HG11 H 1 1.008 0.008 . 2 . . . . A 34 VAL HG11 . 34299 1 388 . 1 1 34 34 VAL HG12 H 1 1.008 0.008 . 2 . . . . A 34 VAL HG12 . 34299 1 389 . 1 1 34 34 VAL HG13 H 1 1.008 0.008 . 2 . . . . A 34 VAL HG13 . 34299 1 390 . 1 1 34 34 VAL HG21 H 1 0.862 0.01 . 2 . . . . A 34 VAL HG21 . 34299 1 391 . 1 1 34 34 VAL HG22 H 1 0.862 0.01 . 2 . . . . A 34 VAL HG22 . 34299 1 392 . 1 1 34 34 VAL HG23 H 1 0.862 0.01 . 2 . . . . A 34 VAL HG23 . 34299 1 393 . 1 1 34 34 VAL C C 13 177.47 0 . 1 . . . . A 34 VAL C . 34299 1 394 . 1 1 34 34 VAL CA C 13 65.787 0.083 . 1 . . . . A 34 VAL CA . 34299 1 395 . 1 1 34 34 VAL CB C 13 31.543 0.045 . 1 . . . . A 34 VAL CB . 34299 1 396 . 1 1 34 34 VAL CG1 C 13 22.419 0.096 . 2 . . . . A 34 VAL CG1 . 34299 1 397 . 1 1 34 34 VAL CG2 C 13 22.983 0.05 . 2 . . . . A 34 VAL CG2 . 34299 1 398 . 1 1 34 34 VAL N N 15 121.332 0.062 . 1 . . . . A 34 VAL N . 34299 1 399 . 1 1 35 35 LEU H H 1 7.632 0.026 . 1 . . . . A 35 LEU H . 34299 1 400 . 1 1 35 35 LEU HA H 1 4.001 0.006 . 1 . . . . A 35 LEU HA . 34299 1 401 . 1 1 35 35 LEU HB2 H 1 1.167 0.007 . 2 . . . . A 35 LEU HB2 . 34299 1 402 . 1 1 35 35 LEU HB3 H 1 1.391 0.015 . 2 . . . . A 35 LEU HB3 . 34299 1 403 . 1 1 35 35 LEU HG H 1 1.007 0.01 . 1 . . . . A 35 LEU HG . 34299 1 404 . 1 1 35 35 LEU HD11 H 1 0.096 0.014 . 2 . . . . A 35 LEU HD11 . 34299 1 405 . 1 1 35 35 LEU HD12 H 1 0.096 0.014 . 2 . . . . A 35 LEU HD12 . 34299 1 406 . 1 1 35 35 LEU HD13 H 1 0.096 0.014 . 2 . . . . A 35 LEU HD13 . 34299 1 407 . 1 1 35 35 LEU HD21 H 1 0.628 0.004 . 2 . . . . A 35 LEU HD21 . 34299 1 408 . 1 1 35 35 LEU HD22 H 1 0.628 0.004 . 2 . . . . A 35 LEU HD22 . 34299 1 409 . 1 1 35 35 LEU HD23 H 1 0.628 0.004 . 2 . . . . A 35 LEU HD23 . 34299 1 410 . 1 1 35 35 LEU C C 13 176.964 0 . 1 . . . . A 35 LEU C . 34299 1 411 . 1 1 35 35 LEU CA C 13 55.057 0.051 . 1 . . . . A 35 LEU CA . 34299 1 412 . 1 1 35 35 LEU CB C 13 41.906 0.058 . 1 . . . . A 35 LEU CB . 34299 1 413 . 1 1 35 35 LEU CD1 C 13 20.334 0.039 . 2 . . . . A 35 LEU CD1 . 34299 1 414 . 1 1 35 35 LEU CD2 C 13 25.976 0.049 . 2 . . . . A 35 LEU CD2 . 34299 1 415 . 1 1 35 35 LEU N N 15 116.934 0.09 . 1 . . . . A 35 LEU N . 34299 1 416 . 1 1 36 36 GLY H H 1 7.756 0.024 . 1 . . . . A 36 GLY H . 34299 1 417 . 1 1 36 36 GLY HA2 H 1 3.843 0.018 . 2 . . . . A 36 GLY HA2 . 34299 1 418 . 1 1 36 36 GLY HA3 H 1 4.079 0.007 . 2 . . . . A 36 GLY HA3 . 34299 1 419 . 1 1 36 36 GLY C C 13 175.088 0 . 1 . . . . A 36 GLY C . 34299 1 420 . 1 1 36 36 GLY CA C 13 45.662 0.088 . 1 . . . . A 36 GLY CA . 34299 1 421 . 1 1 36 36 GLY N N 15 107.522 0.042 . 1 . . . . A 36 GLY N . 34299 1 422 . 1 1 37 37 TYR H H 1 8.185 0.023 . 1 . . . . A 37 TYR H . 34299 1 423 . 1 1 37 37 TYR HA H 1 4.755 0.006 . 1 . . . . A 37 TYR HA . 34299 1 424 . 1 1 37 37 TYR HB2 H 1 3.336 0.01 . 2 . . . . A 37 TYR HB2 . 34299 1 425 . 1 1 37 37 TYR HB3 H 1 2.926 0.008 . 2 . . . . A 37 TYR HB3 . 34299 1 426 . 1 1 37 37 TYR HD1 H 1 7.032 0.009 . 1 . . . . A 37 TYR HD1 . 34299 1 427 . 1 1 37 37 TYR HD2 H 1 7.032 0.009 . 1 . . . . A 37 TYR HD2 . 34299 1 428 . 1 1 37 37 TYR HE1 H 1 6.841 0.011 . 1 . . . . A 37 TYR HE1 . 34299 1 429 . 1 1 37 37 TYR HE2 H 1 6.841 0.011 . 1 . . . . A 37 TYR HE2 . 34299 1 430 . 1 1 37 37 TYR C C 13 176.211 0 . 1 . . . . A 37 TYR C . 34299 1 431 . 1 1 37 37 TYR CA C 13 55.8 0.045 . 1 . . . . A 37 TYR CA . 34299 1 432 . 1 1 37 37 TYR CB C 13 38.492 0.046 . 1 . . . . A 37 TYR CB . 34299 1 433 . 1 1 37 37 TYR CD1 C 13 131.393 0.053 . 1 . . . . A 37 TYR CD1 . 34299 1 434 . 1 1 37 37 TYR CD2 C 13 131.393 0.053 . 1 . . . . A 37 TYR CD2 . 34299 1 435 . 1 1 37 37 TYR CE1 C 13 118.378 0.032 . 1 . . . . A 37 TYR CE1 . 34299 1 436 . 1 1 37 37 TYR CE2 C 13 118.378 0.032 . 1 . . . . A 37 TYR CE2 . 34299 1 437 . 1 1 37 37 TYR N N 15 120.395 0.11 . 1 . . . . A 37 TYR N . 34299 1 438 . 1 1 38 38 ALA H H 1 8.829 0.036 . 1 . . . . A 38 ALA H . 34299 1 439 . 1 1 38 38 ALA HA H 1 4.347 0.009 . 1 . . . . A 38 ALA HA . 34299 1 440 . 1 1 38 38 ALA HB1 H 1 1.476 0.028 . 1 . . . . A 38 ALA HB1 . 34299 1 441 . 1 1 38 38 ALA HB2 H 1 1.476 0.028 . 1 . . . . A 38 ALA HB2 . 34299 1 442 . 1 1 38 38 ALA HB3 H 1 1.476 0.028 . 1 . . . . A 38 ALA HB3 . 34299 1 443 . 1 1 38 38 ALA C C 13 177.389 0 . 1 . . . . A 38 ALA C . 34299 1 444 . 1 1 38 38 ALA CA C 13 52.583 0.074 . 1 . . . . A 38 ALA CA . 34299 1 445 . 1 1 38 38 ALA CB C 13 19.258 0.086 . 1 . . . . A 38 ALA CB . 34299 1 446 . 1 1 38 38 ALA N N 15 124.745 0.037 . 1 . . . . A 38 ALA N . 34299 1 447 . 1 1 39 39 SER H H 1 8.006 0.038 . 1 . . . . A 39 SER H . 34299 1 448 . 1 1 39 39 SER HA H 1 4.726 0.006 . 1 . . . . A 39 SER HA . 34299 1 449 . 1 1 39 39 SER HB2 H 1 4.049 0.015 . 2 . . . . A 39 SER HB2 . 34299 1 450 . 1 1 39 39 SER HB3 H 1 3.846 0.003 . 2 . . . . A 39 SER HB3 . 34299 1 451 . 1 1 39 39 SER C C 13 174.842 0 . 1 . . . . A 39 SER C . 34299 1 452 . 1 1 39 39 SER CA C 13 57.097 0.063 . 1 . . . . A 39 SER CA . 34299 1 453 . 1 1 39 39 SER CB C 13 64.19 0.054 . 1 . . . . A 39 SER CB . 34299 1 454 . 1 1 39 39 SER N N 15 111.888 0.056 . 1 . . . . A 39 SER N . 34299 1 455 . 1 1 40 40 THR H H 1 8.374 0.034 . 1 . . . . A 40 THR H . 34299 1 456 . 1 1 40 40 THR HA H 1 4.246 0.019 . 1 . . . . A 40 THR HA . 34299 1 457 . 1 1 40 40 THR HB H 1 4.501 0.01 . 1 . . . . A 40 THR HB . 34299 1 458 . 1 1 40 40 THR HG21 H 1 1.289 0.012 . 1 . . . . A 40 THR HG21 . 34299 1 459 . 1 1 40 40 THR HG22 H 1 1.289 0.012 . 1 . . . . A 40 THR HG22 . 34299 1 460 . 1 1 40 40 THR HG23 H 1 1.289 0.012 . 1 . . . . A 40 THR HG23 . 34299 1 461 . 1 1 40 40 THR C C 13 175.619 0 . 1 . . . . A 40 THR C . 34299 1 462 . 1 1 40 40 THR CA C 13 62.211 0.102 . 1 . . . . A 40 THR CA . 34299 1 463 . 1 1 40 40 THR CB C 13 68.876 0.07 . 1 . . . . A 40 THR CB . 34299 1 464 . 1 1 40 40 THR CG2 C 13 22.02 0.053 . 1 . . . . A 40 THR CG2 . 34299 1 465 . 1 1 40 40 THR N N 15 112.232 0.021 . 1 . . . . A 40 THR N . 34299 1 466 . 1 1 41 41 GLU H H 1 8.344 0.032 . 1 . . . . A 41 GLU H . 34299 1 467 . 1 1 41 41 GLU HA H 1 4.19 0.008 . 1 . . . . A 41 GLU HA . 34299 1 468 . 1 1 41 41 GLU HB2 H 1 2.007 0.036 . 1 . . . . A 41 GLU HB2 . 34299 1 469 . 1 1 41 41 GLU HB3 H 1 2.011 0.034 . 1 . . . . A 41 GLU HB3 . 34299 1 470 . 1 1 41 41 GLU HG2 H 1 2.264 0.01 . 1 . . . . A 41 GLU HG2 . 34299 1 471 . 1 1 41 41 GLU C C 13 176.727 0 . 1 . . . . A 41 GLU C . 34299 1 472 . 1 1 41 41 GLU CA C 13 58.203 0.025 . 1 . . . . A 41 GLU CA . 34299 1 473 . 1 1 41 41 GLU CB C 13 29.618 0.038 . 1 . . . . A 41 GLU CB . 34299 1 474 . 1 1 41 41 GLU CG C 13 36.079 0.018 . 1 . . . . A 41 GLU CG . 34299 1 475 . 1 1 41 41 GLU N N 15 122.466 0.039 . 1 . . . . A 41 GLU N . 34299 1 476 . 1 1 42 42 SER H H 1 8.384 0.045 . 1 . . . . A 42 SER H . 34299 1 477 . 1 1 42 42 SER HA H 1 4.483 0.007 . 1 . . . . A 42 SER HA . 34299 1 478 . 1 1 42 42 SER HB2 H 1 3.83 0.009 . 1 . . . . A 42 SER HB2 . 34299 1 479 . 1 1 42 42 SER C C 13 173.689 0 . 1 . . . . A 42 SER C . 34299 1 480 . 1 1 42 42 SER CA C 13 58.563 0.041 . 1 . . . . A 42 SER CA . 34299 1 481 . 1 1 42 42 SER CB C 13 63.57 0.035 . 1 . . . . A 42 SER CB . 34299 1 482 . 1 1 42 42 SER N N 15 114.594 0.024 . 1 . . . . A 42 SER N . 34299 1 483 . 1 1 43 43 LEU H H 1 7.897 0.041 . 1 . . . . A 43 LEU H . 34299 1 484 . 1 1 43 43 LEU HA H 1 4.499 0.008 . 1 . . . . A 43 LEU HA . 34299 1 485 . 1 1 43 43 LEU HB2 H 1 1.43 0.007 . 2 . . . . A 43 LEU HB2 . 34299 1 486 . 1 1 43 43 LEU HB3 H 1 1.792 0.008 . 2 . . . . A 43 LEU HB3 . 34299 1 487 . 1 1 43 43 LEU HG H 1 1.656 0.008 . 1 . . . . A 43 LEU HG . 34299 1 488 . 1 1 43 43 LEU HD11 H 1 0.895 0.01 . 2 . . . . A 43 LEU HD11 . 34299 1 489 . 1 1 43 43 LEU HD12 H 1 0.895 0.01 . 2 . . . . A 43 LEU HD12 . 34299 1 490 . 1 1 43 43 LEU HD13 H 1 0.895 0.01 . 2 . . . . A 43 LEU HD13 . 34299 1 491 . 1 1 43 43 LEU HD21 H 1 0.839 0.019 . 2 . . . . A 43 LEU HD21 . 34299 1 492 . 1 1 43 43 LEU HD22 H 1 0.839 0.019 . 2 . . . . A 43 LEU HD22 . 34299 1 493 . 1 1 43 43 LEU HD23 H 1 0.839 0.019 . 2 . . . . A 43 LEU HD23 . 34299 1 494 . 1 1 43 43 LEU C C 13 175.008 0 . 1 . . . . A 43 LEU C . 34299 1 495 . 1 1 43 43 LEU CA C 13 54.328 0.044 . 1 . . . . A 43 LEU CA . 34299 1 496 . 1 1 43 43 LEU CB C 13 43.22 0.039 . 1 . . . . A 43 LEU CB . 34299 1 497 . 1 1 43 43 LEU CG C 13 27.159 0.134 . 1 . . . . A 43 LEU CG . 34299 1 498 . 1 1 43 43 LEU CD1 C 13 26.025 0.047 . 2 . . . . A 43 LEU CD1 . 34299 1 499 . 1 1 43 43 LEU CD2 C 13 24.221 0.055 . 2 . . . . A 43 LEU CD2 . 34299 1 500 . 1 1 43 43 LEU N N 15 122.749 0.017 . 1 . . . . A 43 LEU N . 34299 1 501 . 1 1 44 44 ASP H H 1 8.308 0.033 . 1 . . . . A 44 ASP H . 34299 1 502 . 1 1 44 44 ASP HA H 1 4.791 0.011 . 1 . . . . A 44 ASP HA . 34299 1 503 . 1 1 44 44 ASP HB2 H 1 2.636 0.01 . 1 . . . . A 44 ASP HB2 . 34299 1 504 . 1 1 44 44 ASP HB3 H 1 2.635 0.004 . 2 . . . . A 44 ASP HB3 . 34299 1 505 . 1 1 44 44 ASP C C 13 176.504 0 . 1 . . . . A 44 ASP C . 34299 1 506 . 1 1 44 44 ASP CA C 13 53.468 0.07 . 1 . . . . A 44 ASP CA . 34299 1 507 . 1 1 44 44 ASP CB C 13 43.173 0.06 . 1 . . . . A 44 ASP CB . 34299 1 508 . 1 1 44 44 ASP N N 15 122.399 0.034 . 1 . . . . A 44 ASP N . 34299 1 509 . 1 1 45 45 THR H H 1 8.095 0.038 . 1 . . . . A 45 THR H . 34299 1 510 . 1 1 45 45 THR HA H 1 3.895 0.01 . 1 . . . . A 45 THR HA . 34299 1 511 . 1 1 45 45 THR HB H 1 4.064 0.007 . 1 . . . . A 45 THR HB . 34299 1 512 . 1 1 45 45 THR HG21 H 1 1.1 0.017 . 1 . . . . A 45 THR HG21 . 34299 1 513 . 1 1 45 45 THR HG22 H 1 1.1 0.017 . 1 . . . . A 45 THR HG22 . 34299 1 514 . 1 1 45 45 THR HG23 H 1 1.1 0.017 . 1 . . . . A 45 THR HG23 . 34299 1 515 . 1 1 45 45 THR C C 13 173.914 0 . 1 . . . . A 45 THR C . 34299 1 516 . 1 1 45 45 THR CA C 13 63.506 0.064 . 1 . . . . A 45 THR CA . 34299 1 517 . 1 1 45 45 THR CB C 13 68.658 0.053 . 1 . . . . A 45 THR CB . 34299 1 518 . 1 1 45 45 THR CG2 C 13 22.161 0.042 . 1 . . . . A 45 THR CG2 . 34299 1 519 . 1 1 45 45 THR N N 15 114.711 0.073 . 1 . . . . A 45 THR N . 34299 1 520 . 1 1 46 46 HIS H H 1 8.47 0.039 . 1 . . . . A 46 HIS H . 34299 1 521 . 1 1 46 46 HIS HA H 1 4.618 0.009 . 1 . . . . A 46 HIS HA . 34299 1 522 . 1 1 46 46 HIS HB2 H 1 2.948 0.023 . 2 . . . . A 46 HIS HB2 . 34299 1 523 . 1 1 46 46 HIS HB3 H 1 3.286 0.013 . 2 . . . . A 46 HIS HB3 . 34299 1 524 . 1 1 46 46 HIS HD2 H 1 6.979 0.01 . 1 . . . . A 46 HIS HD2 . 34299 1 525 . 1 1 46 46 HIS HE1 H 1 7.869 0 . 1 . . . . A 46 HIS HE1 . 34299 1 526 . 1 1 46 46 HIS C C 13 174.858 0 . 1 . . . . A 46 HIS C . 34299 1 527 . 1 1 46 46 HIS CA C 13 56.134 0.067 . 1 . . . . A 46 HIS CA . 34299 1 528 . 1 1 46 46 HIS CB C 13 29.832 0.072 . 1 . . . . A 46 HIS CB . 34299 1 529 . 1 1 46 46 HIS CD2 C 13 119.626 0.05 . 1 . . . . A 46 HIS CD2 . 34299 1 530 . 1 1 46 46 HIS CE1 C 13 138.035 0 . 1 . . . . A 46 HIS CE1 . 34299 1 531 . 1 1 46 46 HIS N N 15 118.126 0.16 . 1 . . . . A 46 HIS N . 34299 1 532 . 1 1 47 47 GLU H H 1 7.501 0.025 . 1 . . . . A 47 GLU H . 34299 1 533 . 1 1 47 47 GLU HA H 1 4.329 0.014 . 1 . . . . A 47 GLU HA . 34299 1 534 . 1 1 47 47 GLU HB2 H 1 1.939 0.011 . 2 . . . . A 47 GLU HB2 . 34299 1 535 . 1 1 47 47 GLU HB3 H 1 2.061 0.007 . 2 . . . . A 47 GLU HB3 . 34299 1 536 . 1 1 47 47 GLU HG2 H 1 2.312 0.012 . 2 . . . . A 47 GLU HG2 . 34299 1 537 . 1 1 47 47 GLU HG3 H 1 2.386 0.008 . 2 . . . . A 47 GLU HG3 . 34299 1 538 . 1 1 47 47 GLU C C 13 174.471 0 . 1 . . . . A 47 GLU C . 34299 1 539 . 1 1 47 47 GLU CA C 13 55.891 0.035 . 1 . . . . A 47 GLU CA . 34299 1 540 . 1 1 47 47 GLU CB C 13 31.029 0.04 . 1 . . . . A 47 GLU CB . 34299 1 541 . 1 1 47 47 GLU CG C 13 36.732 0.041 . 1 . . . . A 47 GLU CG . 34299 1 542 . 1 1 47 47 GLU N N 15 122.352 0.025 . 1 . . . . A 47 GLU N . 34299 1 543 . 1 1 48 48 SER H H 1 8.866 0.045 . 1 . . . . A 48 SER H . 34299 1 544 . 1 1 48 48 SER HA H 1 4.63 0.013 . 1 . . . . A 48 SER HA . 34299 1 545 . 1 1 48 48 SER HB2 H 1 4.401 0.009 . 2 . . . . A 48 SER HB2 . 34299 1 546 . 1 1 48 48 SER HB3 H 1 4.04 0.005 . 2 . . . . A 48 SER HB3 . 34299 1 547 . 1 1 48 48 SER C C 13 175.734 0 . 1 . . . . A 48 SER C . 34299 1 548 . 1 1 48 48 SER CA C 13 56.58 0.095 . 1 . . . . A 48 SER CA . 34299 1 549 . 1 1 48 48 SER CB C 13 64.467 0.056 . 1 . . . . A 48 SER CB . 34299 1 550 . 1 1 48 48 SER N N 15 115.88 0.035 . 1 . . . . A 48 SER N . 34299 1 551 . 1 1 49 49 PHE H H 1 8.21 0.023 . 1 . . . . A 49 PHE H . 34299 1 552 . 1 1 49 49 PHE HA H 1 4.292 0.009 . 1 . . . . A 49 PHE HA . 34299 1 553 . 1 1 49 49 PHE HB2 H 1 2.704 0.023 . 2 . . . . A 49 PHE HB2 . 34299 1 554 . 1 1 49 49 PHE HB3 H 1 2.677 0.008 . 2 . . . . A 49 PHE HB3 . 34299 1 555 . 1 1 49 49 PHE HD1 H 1 6.917 0.008 . 1 . . . . A 49 PHE HD1 . 34299 1 556 . 1 1 49 49 PHE HD2 H 1 6.917 0.008 . 1 . . . . A 49 PHE HD2 . 34299 1 557 . 1 1 49 49 PHE HE1 H 1 7.018 0.017 . 1 . . . . A 49 PHE HE1 . 34299 1 558 . 1 1 49 49 PHE HE2 H 1 7.018 0.017 . 1 . . . . A 49 PHE HE2 . 34299 1 559 . 1 1 49 49 PHE HZ H 1 6.59 0.008 . 1 . . . . A 49 PHE HZ . 34299 1 560 . 1 1 49 49 PHE C C 13 178.571 0 . 1 . . . . A 49 PHE C . 34299 1 561 . 1 1 49 49 PHE CA C 13 62.316 0.06 . 1 . . . . A 49 PHE CA . 34299 1 562 . 1 1 49 49 PHE CB C 13 37.715 0.034 . 1 . . . . A 49 PHE CB . 34299 1 563 . 1 1 49 49 PHE CD1 C 13 131.855 0.083 . 1 . . . . A 49 PHE CD1 . 34299 1 564 . 1 1 49 49 PHE CD2 C 13 131.855 0.083 . 1 . . . . A 49 PHE CD2 . 34299 1 565 . 1 1 49 49 PHE CE1 C 13 130.744 0.065 . 1 . . . . A 49 PHE CE1 . 34299 1 566 . 1 1 49 49 PHE CE2 C 13 130.744 0.065 . 1 . . . . A 49 PHE CE2 . 34299 1 567 . 1 1 49 49 PHE CZ C 13 126.999 0.065 . 1 . . . . A 49 PHE CZ . 34299 1 568 . 1 1 49 49 PHE N N 15 119.537 0.203 . 1 . . . . A 49 PHE N . 34299 1 569 . 1 1 50 50 LYS H H 1 8.788 0.033 . 1 . . . . A 50 LYS H . 34299 1 570 . 1 1 50 50 LYS HA H 1 4.313 0.006 . 1 . . . . A 50 LYS HA . 34299 1 571 . 1 1 50 50 LYS HB2 H 1 1.87 0.013 . 2 . . . . A 50 LYS HB2 . 34299 1 572 . 1 1 50 50 LYS HB3 H 1 1.99 0.009 . 2 . . . . A 50 LYS HB3 . 34299 1 573 . 1 1 50 50 LYS HG2 H 1 1.617 0.004 . 2 . . . . A 50 LYS HG2 . 34299 1 574 . 1 1 50 50 LYS HG3 H 1 1.508 0.006 . 2 . . . . A 50 LYS HG3 . 34299 1 575 . 1 1 50 50 LYS HD2 H 1 1.788 0.015 . 1 . . . . A 50 LYS HD2 . 34299 1 576 . 1 1 50 50 LYS HE2 H 1 3.069 0.003 . 1 . . . . A 50 LYS HE2 . 34299 1 577 . 1 1 50 50 LYS C C 13 179.908 0 . 1 . . . . A 50 LYS C . 34299 1 578 . 1 1 50 50 LYS CA C 13 59.823 0.03 . 1 . . . . A 50 LYS CA . 34299 1 579 . 1 1 50 50 LYS CB C 13 32.156 0.071 . 1 . . . . A 50 LYS CB . 34299 1 580 . 1 1 50 50 LYS CG C 13 24.588 0.046 . 1 . . . . A 50 LYS CG . 34299 1 581 . 1 1 50 50 LYS CD C 13 29.095 0.035 . 1 . . . . A 50 LYS CD . 34299 1 582 . 1 1 50 50 LYS CE C 13 41.907 0.015 . 1 . . . . A 50 LYS CE . 34299 1 583 . 1 1 50 50 LYS N N 15 120.676 0.063 . 1 . . . . A 50 LYS N . 34299 1 584 . 1 1 51 51 ASP H H 1 8.055 0.041 . 1 . . . . A 51 ASP H . 34299 1 585 . 1 1 51 51 ASP HA H 1 4.538 0.005 . 1 . . . . A 51 ASP HA . 34299 1 586 . 1 1 51 51 ASP HB2 H 1 2.834 0.01 . 2 . . . . A 51 ASP HB2 . 34299 1 587 . 1 1 51 51 ASP HB3 H 1 2.987 0.008 . 2 . . . . A 51 ASP HB3 . 34299 1 588 . 1 1 51 51 ASP C C 13 178.268 0 . 1 . . . . A 51 ASP C . 34299 1 589 . 1 1 51 51 ASP CA C 13 57.106 0.076 . 1 . . . . A 51 ASP CA . 34299 1 590 . 1 1 51 51 ASP CB C 13 39.734 0.035 . 1 . . . . A 51 ASP CB . 34299 1 591 . 1 1 51 51 ASP N N 15 122.91 0.062 . 1 . . . . A 51 ASP N . 34299 1 592 . 1 1 52 52 LEU H H 1 8.189 0.035 . 1 . . . . A 52 LEU H . 34299 1 593 . 1 1 52 52 LEU HA H 1 4.338 0.012 . 1 . . . . A 52 LEU HA . 34299 1 594 . 1 1 52 52 LEU HB2 H 1 2.329 0.019 . 2 . . . . A 52 LEU HB2 . 34299 1 595 . 1 1 52 52 LEU HB3 H 1 1.828 0.01 . 2 . . . . A 52 LEU HB3 . 34299 1 596 . 1 1 52 52 LEU HD11 H 1 0.763 0.007 . 2 . . . . A 52 LEU HD11 . 34299 1 597 . 1 1 52 52 LEU HD12 H 1 0.763 0.007 . 2 . . . . A 52 LEU HD12 . 34299 1 598 . 1 1 52 52 LEU HD13 H 1 0.763 0.007 . 2 . . . . A 52 LEU HD13 . 34299 1 599 . 1 1 52 52 LEU HD21 H 1 1.011 0.025 . 2 . . . . A 52 LEU HD21 . 34299 1 600 . 1 1 52 52 LEU HD22 H 1 1.011 0.025 . 2 . . . . A 52 LEU HD22 . 34299 1 601 . 1 1 52 52 LEU HD23 H 1 1.011 0.025 . 2 . . . . A 52 LEU HD23 . 34299 1 602 . 1 1 52 52 LEU C C 13 176.741 0 . 1 . . . . A 52 LEU C . 34299 1 603 . 1 1 52 52 LEU CA C 13 55.784 0.069 . 1 . . . . A 52 LEU CA . 34299 1 604 . 1 1 52 52 LEU CB C 13 43.189 0.042 . 1 . . . . A 52 LEU CB . 34299 1 605 . 1 1 52 52 LEU CD1 C 13 25.192 0.06 . 2 . . . . A 52 LEU CD1 . 34299 1 606 . 1 1 52 52 LEU CD2 C 13 23.086 0.067 . 2 . . . . A 52 LEU CD2 . 34299 1 607 . 1 1 52 52 LEU N N 15 119.448 0.051 . 1 . . . . A 52 LEU N . 34299 1 608 . 1 1 53 53 GLY H H 1 7.759 0.026 . 1 . . . . A 53 GLY H . 34299 1 609 . 1 1 53 53 GLY HA2 H 1 3.819 0.007 . 2 . . . . A 53 GLY HA2 . 34299 1 610 . 1 1 53 53 GLY HA3 H 1 4.401 0.009 . 2 . . . . A 53 GLY HA3 . 34299 1 611 . 1 1 53 53 GLY C C 13 175.697 0 . 1 . . . . A 53 GLY C . 34299 1 612 . 1 1 53 53 GLY CA C 13 44.84 0.043 . 1 . . . . A 53 GLY CA . 34299 1 613 . 1 1 53 53 GLY N N 15 103.358 0.065 . 1 . . . . A 53 GLY N . 34299 1 614 . 1 1 54 54 PHE H H 1 8.127 0.03 . 1 . . . . A 54 PHE H . 34299 1 615 . 1 1 54 54 PHE HA H 1 4.093 0.016 . 1 . . . . A 54 PHE HA . 34299 1 616 . 1 1 54 54 PHE HB2 H 1 2.672 0.011 . 2 . . . . A 54 PHE HB2 . 34299 1 617 . 1 1 54 54 PHE HB3 H 1 2.832 0.02 . 2 . . . . A 54 PHE HB3 . 34299 1 618 . 1 1 54 54 PHE HD1 H 1 7.393 0.015 . 1 . . . . A 54 PHE HD1 . 34299 1 619 . 1 1 54 54 PHE HD2 H 1 7.393 0.015 . 1 . . . . A 54 PHE HD2 . 34299 1 620 . 1 1 54 54 PHE HE1 H 1 7.219 0.01 . 1 . . . . A 54 PHE HE1 . 34299 1 621 . 1 1 54 54 PHE HE2 H 1 7.219 0.01 . 1 . . . . A 54 PHE HE2 . 34299 1 622 . 1 1 54 54 PHE HZ H 1 7.354 0.007 . 1 . . . . A 54 PHE HZ . 34299 1 623 . 1 1 54 54 PHE C C 13 174.782 0 . 1 . . . . A 54 PHE C . 34299 1 624 . 1 1 54 54 PHE CA C 13 60.205 0.039 . 1 . . . . A 54 PHE CA . 34299 1 625 . 1 1 54 54 PHE CB C 13 39.915 0.047 . 1 . . . . A 54 PHE CB . 34299 1 626 . 1 1 54 54 PHE CD1 C 13 131.52 0.054 . 1 . . . . A 54 PHE CD1 . 34299 1 627 . 1 1 54 54 PHE CD2 C 13 131.52 0.054 . 1 . . . . A 54 PHE CD2 . 34299 1 628 . 1 1 54 54 PHE CE1 C 13 131.39 0.041 . 1 . . . . A 54 PHE CE1 . 34299 1 629 . 1 1 54 54 PHE CE2 C 13 131.39 0.041 . 1 . . . . A 54 PHE CE2 . 34299 1 630 . 1 1 54 54 PHE CZ C 13 129.037 0.064 . 1 . . . . A 54 PHE CZ . 34299 1 631 . 1 1 54 54 PHE N N 15 119.692 0.042 . 1 . . . . A 54 PHE N . 34299 1 632 . 1 1 55 55 ASP H H 1 8.121 0.031 . 1 . . . . A 55 ASP H . 34299 1 633 . 1 1 55 55 ASP HA H 1 4.92 0.011 . 1 . . . . A 55 ASP HA . 34299 1 634 . 1 1 55 55 ASP HB2 H 1 3.289 0.011 . 2 . . . . A 55 ASP HB2 . 34299 1 635 . 1 1 55 55 ASP HB3 H 1 2.744 0.004 . 2 . . . . A 55 ASP HB3 . 34299 1 636 . 1 1 55 55 ASP CA C 13 52.068 0.064 . 1 . . . . A 55 ASP CA . 34299 1 637 . 1 1 55 55 ASP CB C 13 42.646 0.055 . 1 . . . . A 55 ASP CB . 34299 1 638 . 1 1 55 55 ASP N N 15 122.256 0.02 . 1 . . . . A 55 ASP N . 34299 1 639 . 1 1 56 56 SER HA H 1 4.012 0.011 . 1 . . . . A 56 SER HA . 34299 1 640 . 1 1 56 56 SER C C 13 175.933 0 . 1 . . . . A 56 SER C . 34299 1 641 . 1 1 56 56 SER CA C 13 62.548 0.089 . 1 . . . . A 56 SER CA . 34299 1 642 . 1 1 56 56 SER CB C 13 68.867 0 . 1 . . . . A 56 SER CB . 34299 1 643 . 1 1 57 57 LEU H H 1 8.343 0.027 . 1 . . . . A 57 LEU H . 34299 1 644 . 1 1 57 57 LEU HA H 1 4.477 0.01 . 1 . . . . A 57 LEU HA . 34299 1 645 . 1 1 57 57 LEU HB2 H 1 2.062 0.01 . 2 . . . . A 57 LEU HB2 . 34299 1 646 . 1 1 57 57 LEU HB3 H 1 1.749 0.005 . 2 . . . . A 57 LEU HB3 . 34299 1 647 . 1 1 57 57 LEU HG H 1 1.732 0.008 . 1 . . . . A 57 LEU HG . 34299 1 648 . 1 1 57 57 LEU HD11 H 1 1.005 0.006 . 2 . . . . A 57 LEU HD11 . 34299 1 649 . 1 1 57 57 LEU HD12 H 1 1.005 0.006 . 2 . . . . A 57 LEU HD12 . 34299 1 650 . 1 1 57 57 LEU HD13 H 1 1.005 0.006 . 2 . . . . A 57 LEU HD13 . 34299 1 651 . 1 1 57 57 LEU HD21 H 1 0.942 0.022 . 2 . . . . A 57 LEU HD21 . 34299 1 652 . 1 1 57 57 LEU HD22 H 1 0.942 0.022 . 2 . . . . A 57 LEU HD22 . 34299 1 653 . 1 1 57 57 LEU HD23 H 1 0.942 0.022 . 2 . . . . A 57 LEU HD23 . 34299 1 654 . 1 1 57 57 LEU C C 13 180.854 0 . 1 . . . . A 57 LEU C . 34299 1 655 . 1 1 57 57 LEU CA C 13 57.727 0.058 . 1 . . . . A 57 LEU CA . 34299 1 656 . 1 1 57 57 LEU CB C 13 41.506 0.024 . 1 . . . . A 57 LEU CB . 34299 1 657 . 1 1 57 57 LEU CG C 13 27.157 0.038 . 1 . . . . A 57 LEU CG . 34299 1 658 . 1 1 57 57 LEU CD1 C 13 24.805 0.021 . 2 . . . . A 57 LEU CD1 . 34299 1 659 . 1 1 57 57 LEU CD2 C 13 23.501 0.007 . 2 . . . . A 57 LEU CD2 . 34299 1 660 . 1 1 57 57 LEU N N 15 122.514 0.025 . 1 . . . . A 57 LEU N . 34299 1 661 . 1 1 58 58 THR H H 1 8.963 0.037 . 1 . . . . A 58 THR H . 34299 1 662 . 1 1 58 58 THR HA H 1 4.123 0.009 . 1 . . . . A 58 THR HA . 34299 1 663 . 1 1 58 58 THR HB H 1 4.146 0.013 . 1 . . . . A 58 THR HB . 34299 1 664 . 1 1 58 58 THR HG21 H 1 1.251 0.007 . 1 . . . . A 58 THR HG21 . 34299 1 665 . 1 1 58 58 THR HG22 H 1 1.251 0.007 . 1 . . . . A 58 THR HG22 . 34299 1 666 . 1 1 58 58 THR HG23 H 1 1.251 0.007 . 1 . . . . A 58 THR HG23 . 34299 1 667 . 1 1 58 58 THR C C 13 178.178 0 . 1 . . . . A 58 THR C . 34299 1 668 . 1 1 58 58 THR CA C 13 64.664 0.048 . 1 . . . . A 58 THR CA . 34299 1 669 . 1 1 58 58 THR CB C 13 68.597 0.051 . 1 . . . . A 58 THR CB . 34299 1 670 . 1 1 58 58 THR CG2 C 13 23.602 0.046 . 1 . . . . A 58 THR CG2 . 34299 1 671 . 1 1 58 58 THR N N 15 114.2 0.034 . 1 . . . . A 58 THR N . 34299 1 672 . 1 1 59 59 ALA H H 1 9.037 0.035 . 1 . . . . A 59 ALA H . 34299 1 673 . 1 1 59 59 ALA HA H 1 3.86 0.004 . 1 . . . . A 59 ALA HA . 34299 1 674 . 1 1 59 59 ALA HB1 H 1 1.408 0.01 . 1 . . . . A 59 ALA HB1 . 34299 1 675 . 1 1 59 59 ALA HB2 H 1 1.408 0.01 . 1 . . . . A 59 ALA HB2 . 34299 1 676 . 1 1 59 59 ALA HB3 H 1 1.408 0.01 . 1 . . . . A 59 ALA HB3 . 34299 1 677 . 1 1 59 59 ALA C C 13 180.495 0 . 1 . . . . A 59 ALA C . 34299 1 678 . 1 1 59 59 ALA CA C 13 55.578 0.054 . 1 . . . . A 59 ALA CA . 34299 1 679 . 1 1 59 59 ALA CB C 13 19.066 0.059 . 1 . . . . A 59 ALA CB . 34299 1 680 . 1 1 59 59 ALA N N 15 124.139 0.063 . 1 . . . . A 59 ALA N . 34299 1 681 . 1 1 60 60 LEU H H 1 7.216 0.011 . 1 . . . . A 60 LEU H . 34299 1 682 . 1 1 60 60 LEU HA H 1 4.159 0.01 . 1 . . . . A 60 LEU HA . 34299 1 683 . 1 1 60 60 LEU HB2 H 1 1.806 0 . 2 . . . . A 60 LEU HB2 . 34299 1 684 . 1 1 60 60 LEU HB3 H 1 1.919 0.007 . 2 . . . . A 60 LEU HB3 . 34299 1 685 . 1 1 60 60 LEU HG H 1 1.927 0.005 . 1 . . . . A 60 LEU HG . 34299 1 686 . 1 1 60 60 LEU HD11 H 1 1.019 0.013 . 2 . . . . A 60 LEU HD11 . 34299 1 687 . 1 1 60 60 LEU HD12 H 1 1.019 0.013 . 2 . . . . A 60 LEU HD12 . 34299 1 688 . 1 1 60 60 LEU HD13 H 1 1.019 0.013 . 2 . . . . A 60 LEU HD13 . 34299 1 689 . 1 1 60 60 LEU HD21 H 1 1.058 0.011 . 2 . . . . A 60 LEU HD21 . 34299 1 690 . 1 1 60 60 LEU HD22 H 1 1.058 0.011 . 2 . . . . A 60 LEU HD22 . 34299 1 691 . 1 1 60 60 LEU HD23 H 1 1.058 0.011 . 2 . . . . A 60 LEU HD23 . 34299 1 692 . 1 1 60 60 LEU C C 13 178.272 0 . 1 . . . . A 60 LEU C . 34299 1 693 . 1 1 60 60 LEU CA C 13 57.162 0.055 . 1 . . . . A 60 LEU CA . 34299 1 694 . 1 1 60 60 LEU CB C 13 41.344 0.024 . 1 . . . . A 60 LEU CB . 34299 1 695 . 1 1 60 60 LEU CG C 13 26.838 0.04 . 1 . . . . A 60 LEU CG . 34299 1 696 . 1 1 60 60 LEU CD1 C 13 23.711 0.063 . 2 . . . . A 60 LEU CD1 . 34299 1 697 . 1 1 60 60 LEU CD2 C 13 24.584 0.019 . 2 . . . . A 60 LEU CD2 . 34299 1 698 . 1 1 60 60 LEU N N 15 120.062 0.09 . 1 . . . . A 60 LEU N . 34299 1 699 . 1 1 61 61 GLU H H 1 7.653 0.033 . 1 . . . . A 61 GLU H . 34299 1 700 . 1 1 61 61 GLU HA H 1 4.173 0.018 . 1 . . . . A 61 GLU HA . 34299 1 701 . 1 1 61 61 GLU HB2 H 1 2.067 0.004 . 1 . . . . A 61 GLU HB2 . 34299 1 702 . 1 1 61 61 GLU HG2 H 1 2.428 0.004 . 2 . . . . A 61 GLU HG2 . 34299 1 703 . 1 1 61 61 GLU HG3 H 1 2.18 0.021 . 2 . . . . A 61 GLU HG3 . 34299 1 704 . 1 1 61 61 GLU C C 13 179.184 0 . 1 . . . . A 61 GLU C . 34299 1 705 . 1 1 61 61 GLU CA C 13 59.221 0.073 . 1 . . . . A 61 GLU CA . 34299 1 706 . 1 1 61 61 GLU CB C 13 30.01 0.059 . 1 . . . . A 61 GLU CB . 34299 1 707 . 1 1 61 61 GLU CG C 13 36.142 0.016 . 1 . . . . A 61 GLU CG . 34299 1 708 . 1 1 61 61 GLU N N 15 119.892 0.123 . 1 . . . . A 61 GLU N . 34299 1 709 . 1 1 62 62 LEU H H 1 8.464 0.034 . 1 . . . . A 62 LEU H . 34299 1 710 . 1 1 62 62 LEU HA H 1 4.065 0.011 . 1 . . . . A 62 LEU HA . 34299 1 711 . 1 1 62 62 LEU HB2 H 1 1.496 0.017 . 2 . . . . A 62 LEU HB2 . 34299 1 712 . 1 1 62 62 LEU HB3 H 1 1.809 0.014 . 2 . . . . A 62 LEU HB3 . 34299 1 713 . 1 1 62 62 LEU HG H 1 1.284 0.007 . 1 . . . . A 62 LEU HG . 34299 1 714 . 1 1 62 62 LEU HD11 H 1 0.891 0.009 . 2 . . . . A 62 LEU HD11 . 34299 1 715 . 1 1 62 62 LEU HD12 H 1 0.891 0.009 . 2 . . . . A 62 LEU HD12 . 34299 1 716 . 1 1 62 62 LEU HD13 H 1 0.891 0.009 . 2 . . . . A 62 LEU HD13 . 34299 1 717 . 1 1 62 62 LEU HD21 H 1 0.239 0.005 . 2 . . . . A 62 LEU HD21 . 34299 1 718 . 1 1 62 62 LEU HD22 H 1 0.239 0.005 . 2 . . . . A 62 LEU HD22 . 34299 1 719 . 1 1 62 62 LEU HD23 H 1 0.239 0.005 . 2 . . . . A 62 LEU HD23 . 34299 1 720 . 1 1 62 62 LEU C C 13 177.582 0 . 1 . . . . A 62 LEU C . 34299 1 721 . 1 1 62 62 LEU CA C 13 58.022 0.043 . 1 . . . . A 62 LEU CA . 34299 1 722 . 1 1 62 62 LEU CB C 13 40.798 0.072 . 1 . . . . A 62 LEU CB . 34299 1 723 . 1 1 62 62 LEU CG C 13 26.94 0.073 . 1 . . . . A 62 LEU CG . 34299 1 724 . 1 1 62 62 LEU CD1 C 13 23.138 0.03 . 2 . . . . A 62 LEU CD1 . 34299 1 725 . 1 1 62 62 LEU CD2 C 13 26.77 0.041 . 2 . . . . A 62 LEU CD2 . 34299 1 726 . 1 1 62 62 LEU N N 15 118.392 0.128 . 1 . . . . A 62 LEU N . 34299 1 727 . 1 1 63 63 ARG H H 1 7.629 0.032 . 1 . . . . A 63 ARG H . 34299 1 728 . 1 1 63 63 ARG HA H 1 3.638 0.007 . 1 . . . . A 63 ARG HA . 34299 1 729 . 1 1 63 63 ARG HB2 H 1 2.035 0.026 . 2 . . . . A 63 ARG HB2 . 34299 1 730 . 1 1 63 63 ARG HB3 H 1 2.29 0.023 . 2 . . . . A 63 ARG HB3 . 34299 1 731 . 1 1 63 63 ARG HE H 1 7.036 0.038 . 1 . . . . A 63 ARG HE . 34299 1 732 . 1 1 63 63 ARG C C 13 178.601 0 . 1 . . . . A 63 ARG C . 34299 1 733 . 1 1 63 63 ARG CA C 13 60.908 0.042 . 1 . . . . A 63 ARG CA . 34299 1 734 . 1 1 63 63 ARG CB C 13 28.224 0.085 . 1 . . . . A 63 ARG CB . 34299 1 735 . 1 1 63 63 ARG CG C 13 26.984 0.1 . 1 . . . . A 63 ARG CG . 34299 1 736 . 1 1 63 63 ARG CD C 13 42.112 0.008 . 1 . . . . A 63 ARG CD . 34299 1 737 . 1 1 63 63 ARG N N 15 120.065 0.058 . 1 . . . . A 63 ARG N . 34299 1 738 . 1 1 63 63 ARG NE N 15 82.042 0.023 . 1 . . . . A 63 ARG NE . 34299 1 739 . 1 1 64 64 ASP H H 1 8.773 0.036 . 1 . . . . A 64 ASP H . 34299 1 740 . 1 1 64 64 ASP HA H 1 4.391 0.006 . 1 . . . . A 64 ASP HA . 34299 1 741 . 1 1 64 64 ASP HB2 H 1 2.759 0.016 . 2 . . . . A 64 ASP HB2 . 34299 1 742 . 1 1 64 64 ASP HB3 H 1 2.967 0.028 . 2 . . . . A 64 ASP HB3 . 34299 1 743 . 1 1 64 64 ASP C C 13 179.298 0 . 1 . . . . A 64 ASP C . 34299 1 744 . 1 1 64 64 ASP CA C 13 58.035 0.054 . 1 . . . . A 64 ASP CA . 34299 1 745 . 1 1 64 64 ASP CB C 13 39.397 0.048 . 1 . . . . A 64 ASP CB . 34299 1 746 . 1 1 64 64 ASP N N 15 122.057 0.062 . 1 . . . . A 64 ASP N . 34299 1 747 . 1 1 65 65 HIS H H 1 8.685 0.04 . 1 . . . . A 65 HIS H . 34299 1 748 . 1 1 65 65 HIS HA H 1 4.506 0.007 . 1 . . . . A 65 HIS HA . 34299 1 749 . 1 1 65 65 HIS HB2 H 1 3.205 0.014 . 2 . . . . A 65 HIS HB2 . 34299 1 750 . 1 1 65 65 HIS HB3 H 1 3.608 0.017 . 2 . . . . A 65 HIS HB3 . 34299 1 751 . 1 1 65 65 HIS HD2 H 1 7.179 0.021 . 1 . . . . A 65 HIS HD2 . 34299 1 752 . 1 1 65 65 HIS HE1 H 1 8.186 0.008 . 1 . . . . A 65 HIS HE1 . 34299 1 753 . 1 1 65 65 HIS C C 13 179.356 0 . 1 . . . . A 65 HIS C . 34299 1 754 . 1 1 65 65 HIS CA C 13 59.136 0.073 . 1 . . . . A 65 HIS CA . 34299 1 755 . 1 1 65 65 HIS CB C 13 28.802 0.102 . 1 . . . . A 65 HIS CB . 34299 1 756 . 1 1 65 65 HIS CD2 C 13 120.785 0.064 . 1 . . . . A 65 HIS CD2 . 34299 1 757 . 1 1 65 65 HIS CE1 C 13 137.48 0.074 . 1 . . . . A 65 HIS CE1 . 34299 1 758 . 1 1 65 65 HIS N N 15 120.078 0.13 . 1 . . . . A 65 HIS N . 34299 1 759 . 1 1 66 66 LEU H H 1 8.754 0.028 . 1 . . . . A 66 LEU H . 34299 1 760 . 1 1 66 66 LEU HA H 1 4.136 0.008 . 1 . . . . A 66 LEU HA . 34299 1 761 . 1 1 66 66 LEU HB2 H 1 0.912 0.011 . 2 . . . . A 66 LEU HB2 . 34299 1 762 . 1 1 66 66 LEU HB3 H 1 2.03 0.008 . 2 . . . . A 66 LEU HB3 . 34299 1 763 . 1 1 66 66 LEU HG H 1 1.846 0.012 . 1 . . . . A 66 LEU HG . 34299 1 764 . 1 1 66 66 LEU HD11 H 1 0.763 0.023 . 2 . . . . A 66 LEU HD11 . 34299 1 765 . 1 1 66 66 LEU HD12 H 1 0.763 0.023 . 2 . . . . A 66 LEU HD12 . 34299 1 766 . 1 1 66 66 LEU HD13 H 1 0.763 0.023 . 2 . . . . A 66 LEU HD13 . 34299 1 767 . 1 1 66 66 LEU HD21 H 1 1.058 0.013 . 2 . . . . A 66 LEU HD21 . 34299 1 768 . 1 1 66 66 LEU HD22 H 1 1.058 0.013 . 2 . . . . A 66 LEU HD22 . 34299 1 769 . 1 1 66 66 LEU HD23 H 1 1.058 0.013 . 2 . . . . A 66 LEU HD23 . 34299 1 770 . 1 1 66 66 LEU C C 13 180.31 0 . 1 . . . . A 66 LEU C . 34299 1 771 . 1 1 66 66 LEU CA C 13 57.659 0.023 . 1 . . . . A 66 LEU CA . 34299 1 772 . 1 1 66 66 LEU CB C 13 41.43 0.047 . 1 . . . . A 66 LEU CB . 34299 1 773 . 1 1 66 66 LEU CD1 C 13 23.253 0.096 . 2 . . . . A 66 LEU CD1 . 34299 1 774 . 1 1 66 66 LEU CD2 C 13 26.816 0 . 2 . . . . A 66 LEU CD2 . 34299 1 775 . 1 1 66 66 LEU N N 15 119.616 0.098 . 1 . . . . A 66 LEU N . 34299 1 776 . 1 1 67 67 GLN H H 1 8.881 0.019 . 1 . . . . A 67 GLN H . 34299 1 777 . 1 1 67 67 GLN HA H 1 4.169 0.01 . 1 . . . . A 67 GLN HA . 34299 1 778 . 1 1 67 67 GLN HB2 H 1 2.275 0.021 . 1 . . . . A 67 GLN HB2 . 34299 1 779 . 1 1 67 67 GLN HG2 H 1 2.612 0.03 . 2 . . . . A 67 GLN HG2 . 34299 1 780 . 1 1 67 67 GLN HG3 H 1 2.86 0.007 . 2 . . . . A 67 GLN HG3 . 34299 1 781 . 1 1 67 67 GLN HE21 H 1 7.39 0.023 . 1 . . . . A 67 GLN HE21 . 34299 1 782 . 1 1 67 67 GLN HE22 H 1 6.834 0.028 . 1 . . . . A 67 GLN HE22 . 34299 1 783 . 1 1 67 67 GLN C C 13 178.792 0 . 1 . . . . A 67 GLN C . 34299 1 784 . 1 1 67 67 GLN CA C 13 60.425 0.049 . 1 . . . . A 67 GLN CA . 34299 1 785 . 1 1 67 67 GLN CB C 13 28.421 0.029 . 1 . . . . A 67 GLN CB . 34299 1 786 . 1 1 67 67 GLN CG C 13 35.605 0.056 . 1 . . . . A 67 GLN CG . 34299 1 787 . 1 1 67 67 GLN CD C 13 179.538 0.012 . 1 . . . . A 67 GLN CD . 34299 1 788 . 1 1 67 67 GLN N N 15 124.158 0.083 . 1 . . . . A 67 GLN N . 34299 1 789 . 1 1 67 67 GLN NE2 N 15 108.892 0.085 . 1 . . . . A 67 GLN NE2 . 34299 1 790 . 1 1 68 68 THR H H 1 8.272 0.022 . 1 . . . . A 68 THR H . 34299 1 791 . 1 1 68 68 THR HA H 1 3.944 0.017 . 1 . . . . A 68 THR HA . 34299 1 792 . 1 1 68 68 THR HB H 1 4.27 0.005 . 1 . . . . A 68 THR HB . 34299 1 793 . 1 1 68 68 THR HG21 H 1 1.267 0.01 . 1 . . . . A 68 THR HG21 . 34299 1 794 . 1 1 68 68 THR HG22 H 1 1.267 0.01 . 1 . . . . A 68 THR HG22 . 34299 1 795 . 1 1 68 68 THR HG23 H 1 1.267 0.01 . 1 . . . . A 68 THR HG23 . 34299 1 796 . 1 1 68 68 THR C C 13 176.217 0 . 1 . . . . A 68 THR C . 34299 1 797 . 1 1 68 68 THR CA C 13 66.167 0.065 . 1 . . . . A 68 THR CA . 34299 1 798 . 1 1 68 68 THR CB C 13 68.327 0.087 . 1 . . . . A 68 THR CB . 34299 1 799 . 1 1 68 68 THR CG2 C 13 22.093 0.062 . 1 . . . . A 68 THR CG2 . 34299 1 800 . 1 1 68 68 THR N N 15 117.952 0.052 . 1 . . . . A 68 THR N . 34299 1 801 . 1 1 69 69 ALA H H 1 7.994 0.026 . 1 . . . . A 69 ALA H . 34299 1 802 . 1 1 69 69 ALA HA H 1 4.324 0.007 . 1 . . . . A 69 ALA HA . 34299 1 803 . 1 1 69 69 ALA HB1 H 1 1.534 0.017 . 1 . . . . A 69 ALA HB1 . 34299 1 804 . 1 1 69 69 ALA HB2 H 1 1.534 0.017 . 1 . . . . A 69 ALA HB2 . 34299 1 805 . 1 1 69 69 ALA HB3 H 1 1.534 0.017 . 1 . . . . A 69 ALA HB3 . 34299 1 806 . 1 1 69 69 ALA C C 13 177.697 0 . 1 . . . . A 69 ALA C . 34299 1 807 . 1 1 69 69 ALA CA C 13 53.889 0.044 . 1 . . . . A 69 ALA CA . 34299 1 808 . 1 1 69 69 ALA CB C 13 19.761 0.065 . 1 . . . . A 69 ALA CB . 34299 1 809 . 1 1 69 69 ALA N N 15 119.569 0.118 . 1 . . . . A 69 ALA N . 34299 1 810 . 1 1 70 70 THR H H 1 7.618 0.028 . 1 . . . . A 70 THR H . 34299 1 811 . 1 1 70 70 THR HA H 1 4.505 0.008 . 1 . . . . A 70 THR HA . 34299 1 812 . 1 1 70 70 THR HB H 1 4.138 0.008 . 1 . . . . A 70 THR HB . 34299 1 813 . 1 1 70 70 THR HG21 H 1 1.293 0.009 . 1 . . . . A 70 THR HG21 . 34299 1 814 . 1 1 70 70 THR HG22 H 1 1.293 0.009 . 1 . . . . A 70 THR HG22 . 34299 1 815 . 1 1 70 70 THR HG23 H 1 1.293 0.009 . 1 . . . . A 70 THR HG23 . 34299 1 816 . 1 1 70 70 THR C C 13 175.43 0 . 1 . . . . A 70 THR C . 34299 1 817 . 1 1 70 70 THR CA C 13 62.038 0.044 . 1 . . . . A 70 THR CA . 34299 1 818 . 1 1 70 70 THR CB C 13 72.126 0.053 . 1 . . . . A 70 THR CB . 34299 1 819 . 1 1 70 70 THR CG2 C 13 21.652 0.041 . 1 . . . . A 70 THR CG2 . 34299 1 820 . 1 1 70 70 THR N N 15 102.076 0.082 . 1 . . . . A 70 THR N . 34299 1 821 . 1 1 71 71 GLY H H 1 8.624 0.03 . 1 . . . . A 71 GLY H . 34299 1 822 . 1 1 71 71 GLY HA2 H 1 3.878 0.018 . 2 . . . . A 71 GLY HA2 . 34299 1 823 . 1 1 71 71 GLY HA3 H 1 4.33 0.007 . 2 . . . . A 71 GLY HA3 . 34299 1 824 . 1 1 71 71 GLY C C 13 173.627 0 . 1 . . . . A 71 GLY C . 34299 1 825 . 1 1 71 71 GLY CA C 13 45.698 0.042 . 1 . . . . A 71 GLY CA . 34299 1 826 . 1 1 71 71 GLY N N 15 111.81 0.062 . 1 . . . . A 71 GLY N . 34299 1 827 . 1 1 72 72 LEU H H 1 7.719 0.032 . 1 . . . . A 72 LEU H . 34299 1 828 . 1 1 72 72 LEU HA H 1 4.446 0.009 . 1 . . . . A 72 LEU HA . 34299 1 829 . 1 1 72 72 LEU HB2 H 1 1.232 0.007 . 2 . . . . A 72 LEU HB2 . 34299 1 830 . 1 1 72 72 LEU HB3 H 1 1.566 0.012 . 2 . . . . A 72 LEU HB3 . 34299 1 831 . 1 1 72 72 LEU HG H 1 1.473 0.017 . 1 . . . . A 72 LEU HG . 34299 1 832 . 1 1 72 72 LEU HD11 H 1 0.842 0.013 . 1 . . . . A 72 LEU HD11 . 34299 1 833 . 1 1 72 72 LEU HD12 H 1 0.842 0.013 . 1 . . . . A 72 LEU HD12 . 34299 1 834 . 1 1 72 72 LEU HD13 H 1 0.842 0.013 . 1 . . . . A 72 LEU HD13 . 34299 1 835 . 1 1 72 72 LEU C C 13 176.042 0 . 1 . . . . A 72 LEU C . 34299 1 836 . 1 1 72 72 LEU CA C 13 53.46 0.041 . 1 . . . . A 72 LEU CA . 34299 1 837 . 1 1 72 72 LEU CB C 13 43.428 0.053 . 1 . . . . A 72 LEU CB . 34299 1 838 . 1 1 72 72 LEU CG C 13 26.731 0.004 . 1 . . . . A 72 LEU CG . 34299 1 839 . 1 1 72 72 LEU CD1 C 13 22.789 0.045 . 2 . . . . A 72 LEU CD1 . 34299 1 840 . 1 1 72 72 LEU CD2 C 13 26.057 0 . 2 . . . . A 72 LEU CD2 . 34299 1 841 . 1 1 72 72 LEU N N 15 120.107 0.077 . 1 . . . . A 72 LEU N . 34299 1 842 . 1 1 73 73 ASN H H 1 8.523 0.042 . 1 . . . . A 73 ASN H . 34299 1 843 . 1 1 73 73 ASN HA H 1 4.759 0.011 . 1 . . . . A 73 ASN HA . 34299 1 844 . 1 1 73 73 ASN HB2 H 1 2.682 0.02 . 2 . . . . A 73 ASN HB2 . 34299 1 845 . 1 1 73 73 ASN HB3 H 1 2.72 0.011 . 2 . . . . A 73 ASN HB3 . 34299 1 846 . 1 1 73 73 ASN HD21 H 1 6.934 0.024 . 1 . . . . A 73 ASN HD21 . 34299 1 847 . 1 1 73 73 ASN HD22 H 1 7.627 0.033 . 1 . . . . A 73 ASN HD22 . 34299 1 848 . 1 1 73 73 ASN C C 13 174.516 0 . 1 . . . . A 73 ASN C . 34299 1 849 . 1 1 73 73 ASN CA C 13 52.814 0.071 . 1 . . . . A 73 ASN CA . 34299 1 850 . 1 1 73 73 ASN CB C 13 38.602 0.041 . 1 . . . . A 73 ASN CB . 34299 1 851 . 1 1 73 73 ASN CG C 13 177.001 0.014 . 1 . . . . A 73 ASN CG . 34299 1 852 . 1 1 73 73 ASN N N 15 119.501 0.044 . 1 . . . . A 73 ASN N . 34299 1 853 . 1 1 73 73 ASN ND2 N 15 113.51 0.174 . 1 . . . . A 73 ASN ND2 . 34299 1 854 . 1 1 74 74 LEU H H 1 9.181 0.021 . 1 . . . . A 74 LEU H . 34299 1 855 . 1 1 74 74 LEU HA H 1 4.872 0.021 . 1 . . . . A 74 LEU HA . 34299 1 856 . 1 1 74 74 LEU HB2 H 1 1.373 0.015 . 2 . . . . A 74 LEU HB2 . 34299 1 857 . 1 1 74 74 LEU HB3 H 1 1.525 0.006 . 2 . . . . A 74 LEU HB3 . 34299 1 858 . 1 1 74 74 LEU HD11 H 1 0.807 0.014 . 2 . . . . A 74 LEU HD11 . 34299 1 859 . 1 1 74 74 LEU HD12 H 1 0.807 0.014 . 2 . . . . A 74 LEU HD12 . 34299 1 860 . 1 1 74 74 LEU HD13 H 1 0.807 0.014 . 2 . . . . A 74 LEU HD13 . 34299 1 861 . 1 1 74 74 LEU HD21 H 1 0.925 0.004 . 2 . . . . A 74 LEU HD21 . 34299 1 862 . 1 1 74 74 LEU HD22 H 1 0.925 0.004 . 2 . . . . A 74 LEU HD22 . 34299 1 863 . 1 1 74 74 LEU HD23 H 1 0.925 0.004 . 2 . . . . A 74 LEU HD23 . 34299 1 864 . 1 1 74 74 LEU C C 13 175.993 0 . 1 . . . . A 74 LEU C . 34299 1 865 . 1 1 74 74 LEU CA C 13 52.743 0.019 . 1 . . . . A 74 LEU CA . 34299 1 866 . 1 1 74 74 LEU CB C 13 45.212 0.044 . 1 . . . . A 74 LEU CB . 34299 1 867 . 1 1 74 74 LEU CD1 C 13 25.95 0.064 . 2 . . . . A 74 LEU CD1 . 34299 1 868 . 1 1 74 74 LEU CD2 C 13 22.943 0.02 . 2 . . . . A 74 LEU CD2 . 34299 1 869 . 1 1 74 74 LEU N N 15 125.266 0.042 . 1 . . . . A 74 LEU N . 34299 1 870 . 1 1 75 75 SER H H 1 9.021 0.035 . 1 . . . . A 75 SER H . 34299 1 871 . 1 1 75 75 SER HA H 1 4.392 0.004 . 1 . . . . A 75 SER HA . 34299 1 872 . 1 1 75 75 SER HB2 H 1 3.692 0.013 . 2 . . . . A 75 SER HB2 . 34299 1 873 . 1 1 75 75 SER HB3 H 1 4.04 0.005 . 2 . . . . A 75 SER HB3 . 34299 1 874 . 1 1 75 75 SER C C 13 176.367 0 . 1 . . . . A 75 SER C . 34299 1 875 . 1 1 75 75 SER CA C 13 57.434 0.045 . 1 . . . . A 75 SER CA . 34299 1 876 . 1 1 75 75 SER CB C 13 63.659 0.061 . 1 . . . . A 75 SER CB . 34299 1 877 . 1 1 75 75 SER N N 15 118.21 0.049 . 1 . . . . A 75 SER N . 34299 1 878 . 1 1 76 76 SER H H 1 9.248 0.03 . 1 . . . . A 76 SER H . 34299 1 879 . 1 1 76 76 SER HA H 1 4.006 0.013 . 1 . . . . A 76 SER HA . 34299 1 880 . 1 1 76 76 SER C C 13 176.074 0 . 1 . . . . A 76 SER C . 34299 1 881 . 1 1 76 76 SER CA C 13 62.147 0.015 . 1 . . . . A 76 SER CA . 34299 1 882 . 1 1 76 76 SER CB C 13 61.728 0 . 1 . . . . A 76 SER CB . 34299 1 883 . 1 1 76 76 SER N N 15 121.859 0.067 . 1 . . . . A 76 SER N . 34299 1 884 . 1 1 77 77 THR H H 1 7.859 0.026 . 1 . . . . A 77 THR H . 34299 1 885 . 1 1 77 77 THR HA H 1 4.401 0.013 . 1 . . . . A 77 THR HA . 34299 1 886 . 1 1 77 77 THR HB H 1 4.798 0.008 . 1 . . . . A 77 THR HB . 34299 1 887 . 1 1 77 77 THR HG21 H 1 1.136 0.006 . 1 . . . . A 77 THR HG21 . 34299 1 888 . 1 1 77 77 THR HG22 H 1 1.136 0.006 . 1 . . . . A 77 THR HG22 . 34299 1 889 . 1 1 77 77 THR HG23 H 1 1.136 0.006 . 1 . . . . A 77 THR HG23 . 34299 1 890 . 1 1 77 77 THR C C 13 173.884 0 . 1 . . . . A 77 THR C . 34299 1 891 . 1 1 77 77 THR CA C 13 61.082 0.053 . 1 . . . . A 77 THR CA . 34299 1 892 . 1 1 77 77 THR CB C 13 67.269 0.065 . 1 . . . . A 77 THR CB . 34299 1 893 . 1 1 77 77 THR CG2 C 13 21.347 0.029 . 1 . . . . A 77 THR CG2 . 34299 1 894 . 1 1 77 77 THR N N 15 111.425 0.061 . 1 . . . . A 77 THR N . 34299 1 895 . 1 1 78 78 LEU H H 1 7.339 0.027 . 1 . . . . A 78 LEU H . 34299 1 896 . 1 1 78 78 LEU HA H 1 4.041 0.01 . 1 . . . . A 78 LEU HA . 34299 1 897 . 1 1 78 78 LEU HB2 H 1 1.749 0.025 . 2 . . . . A 78 LEU HB2 . 34299 1 898 . 1 1 78 78 LEU HB3 H 1 2.116 0.02 . 2 . . . . A 78 LEU HB3 . 34299 1 899 . 1 1 78 78 LEU HD11 H 1 0.815 0.007 . 2 . . . . A 78 LEU HD11 . 34299 1 900 . 1 1 78 78 LEU HD12 H 1 0.815 0.007 . 2 . . . . A 78 LEU HD12 . 34299 1 901 . 1 1 78 78 LEU HD13 H 1 0.815 0.007 . 2 . . . . A 78 LEU HD13 . 34299 1 902 . 1 1 78 78 LEU HD21 H 1 1.045 0.009 . 2 . . . . A 78 LEU HD21 . 34299 1 903 . 1 1 78 78 LEU HD22 H 1 1.045 0.009 . 2 . . . . A 78 LEU HD22 . 34299 1 904 . 1 1 78 78 LEU HD23 H 1 1.045 0.009 . 2 . . . . A 78 LEU HD23 . 34299 1 905 . 1 1 78 78 LEU C C 13 176.12 0 . 1 . . . . A 78 LEU C . 34299 1 906 . 1 1 78 78 LEU CA C 13 59.827 0.038 . 1 . . . . A 78 LEU CA . 34299 1 907 . 1 1 78 78 LEU CB C 13 42.385 0.086 . 1 . . . . A 78 LEU CB . 34299 1 908 . 1 1 78 78 LEU CD1 C 13 27.43 0.057 . 2 . . . . A 78 LEU CD1 . 34299 1 909 . 1 1 78 78 LEU CD2 C 13 24.541 0.032 . 2 . . . . A 78 LEU CD2 . 34299 1 910 . 1 1 78 78 LEU N N 15 124.259 0.073 . 1 . . . . A 78 LEU N . 34299 1 911 . 1 1 79 79 ILE H H 1 7.613 0.042 . 1 . . . . A 79 ILE H . 34299 1 912 . 1 1 79 79 ILE HA H 1 3.847 0.007 . 1 . . . . A 79 ILE HA . 34299 1 913 . 1 1 79 79 ILE HB H 1 1.29 0.023 . 1 . . . . A 79 ILE HB . 34299 1 914 . 1 1 79 79 ILE HG12 H 1 0.647 0.016 . 2 . . . . A 79 ILE HG12 . 34299 1 915 . 1 1 79 79 ILE HG13 H 1 0.12 0.011 . 2 . . . . A 79 ILE HG13 . 34299 1 916 . 1 1 79 79 ILE HG21 H 1 -0.146 0.004 . 1 . . . . A 79 ILE HG21 . 34299 1 917 . 1 1 79 79 ILE HG22 H 1 -0.146 0.004 . 1 . . . . A 79 ILE HG22 . 34299 1 918 . 1 1 79 79 ILE HG23 H 1 -0.146 0.004 . 1 . . . . A 79 ILE HG23 . 34299 1 919 . 1 1 79 79 ILE HD11 H 1 0.008 0.005 . 1 . . . . A 79 ILE HD11 . 34299 1 920 . 1 1 79 79 ILE HD12 H 1 0.008 0.005 . 1 . . . . A 79 ILE HD12 . 34299 1 921 . 1 1 79 79 ILE HD13 H 1 0.008 0.005 . 1 . . . . A 79 ILE HD13 . 34299 1 922 . 1 1 79 79 ILE C C 13 174.898 0 . 1 . . . . A 79 ILE C . 34299 1 923 . 1 1 79 79 ILE CA C 13 61.873 0.052 . 1 . . . . A 79 ILE CA . 34299 1 924 . 1 1 79 79 ILE CB C 13 36.034 0.043 . 1 . . . . A 79 ILE CB . 34299 1 925 . 1 1 79 79 ILE CG1 C 13 26.442 0.065 . 1 . . . . A 79 ILE CG1 . 34299 1 926 . 1 1 79 79 ILE CG2 C 13 17.229 0.045 . 1 . . . . A 79 ILE CG2 . 34299 1 927 . 1 1 79 79 ILE CD1 C 13 13.556 0.034 . 1 . . . . A 79 ILE CD1 . 34299 1 928 . 1 1 79 79 ILE N N 15 109.256 0.038 . 1 . . . . A 79 ILE N . 34299 1 929 . 1 1 80 80 PHE H H 1 7.565 0.028 . 1 . . . . A 80 PHE H . 34299 1 930 . 1 1 80 80 PHE HA H 1 4.507 0.014 . 1 . . . . A 80 PHE HA . 34299 1 931 . 1 1 80 80 PHE HB2 H 1 2.888 0.017 . 2 . . . . A 80 PHE HB2 . 34299 1 932 . 1 1 80 80 PHE HB3 H 1 3.236 0.012 . 2 . . . . A 80 PHE HB3 . 34299 1 933 . 1 1 80 80 PHE HD1 H 1 7.117 0.011 . 1 . . . . A 80 PHE HD1 . 34299 1 934 . 1 1 80 80 PHE HD2 H 1 7.117 0.011 . 1 . . . . A 80 PHE HD2 . 34299 1 935 . 1 1 80 80 PHE HE1 H 1 7.257 0.016 . 1 . . . . A 80 PHE HE1 . 34299 1 936 . 1 1 80 80 PHE HE2 H 1 7.257 0.016 . 1 . . . . A 80 PHE HE2 . 34299 1 937 . 1 1 80 80 PHE HZ H 1 7.036 0.011 . 1 . . . . A 80 PHE HZ . 34299 1 938 . 1 1 80 80 PHE C C 13 176.938 0 . 1 . . . . A 80 PHE C . 34299 1 939 . 1 1 80 80 PHE CA C 13 58.355 0.086 . 1 . . . . A 80 PHE CA . 34299 1 940 . 1 1 80 80 PHE CB C 13 38.668 0.033 . 1 . . . . A 80 PHE CB . 34299 1 941 . 1 1 80 80 PHE CD1 C 13 131.199 0.039 . 1 . . . . A 80 PHE CD1 . 34299 1 942 . 1 1 80 80 PHE CD2 C 13 131.199 0.039 . 1 . . . . A 80 PHE CD2 . 34299 1 943 . 1 1 80 80 PHE CE1 C 13 131.18 0.034 . 1 . . . . A 80 PHE CE1 . 34299 1 944 . 1 1 80 80 PHE CE2 C 13 131.18 0.034 . 1 . . . . A 80 PHE CE2 . 34299 1 945 . 1 1 80 80 PHE CZ C 13 129.032 0.04 . 1 . . . . A 80 PHE CZ . 34299 1 946 . 1 1 80 80 PHE N N 15 119.141 0.03 . 1 . . . . A 80 PHE N . 34299 1 947 . 1 1 81 81 ASP H H 1 8 0.03 . 1 . . . . A 81 ASP H . 34299 1 948 . 1 1 81 81 ASP HA H 1 4.095 0.008 . 1 . . . . A 81 ASP HA . 34299 1 949 . 1 1 81 81 ASP HB2 H 1 2.355 0.019 . 2 . . . . A 81 ASP HB2 . 34299 1 950 . 1 1 81 81 ASP HB3 H 1 2.07 0.006 . 2 . . . . A 81 ASP HB3 . 34299 1 951 . 1 1 81 81 ASP C C 13 175.635 0 . 1 . . . . A 81 ASP C . 34299 1 952 . 1 1 81 81 ASP CA C 13 55.914 0.046 . 1 . . . . A 81 ASP CA . 34299 1 953 . 1 1 81 81 ASP CB C 13 40.878 0.026 . 1 . . . . A 81 ASP CB . 34299 1 954 . 1 1 81 81 ASP N N 15 120.237 0.078 . 1 . . . . A 81 ASP N . 34299 1 955 . 1 1 82 82 HIS H H 1 7.671 0.027 . 1 . . . . A 82 HIS H . 34299 1 956 . 1 1 82 82 HIS HA H 1 4.967 0.006 . 1 . . . . A 82 HIS HA . 34299 1 957 . 1 1 82 82 HIS HB2 H 1 3.119 0.009 . 2 . . . . A 82 HIS HB2 . 34299 1 958 . 1 1 82 82 HIS HB3 H 1 2.363 0.012 . 2 . . . . A 82 HIS HB3 . 34299 1 959 . 1 1 82 82 HIS HD2 H 1 6.693 0.006 . 1 . . . . A 82 HIS HD2 . 34299 1 960 . 1 1 82 82 HIS HE1 H 1 7.631 0.015 . 1 . . . . A 82 HIS HE1 . 34299 1 961 . 1 1 82 82 HIS CA C 13 52.77 0.007 . 1 . . . . A 82 HIS CA . 34299 1 962 . 1 1 82 82 HIS CB C 13 30.413 0.069 . 1 . . . . A 82 HIS CB . 34299 1 963 . 1 1 82 82 HIS CD2 C 13 120.487 0.034 . 1 . . . . A 82 HIS CD2 . 34299 1 964 . 1 1 82 82 HIS CE1 C 13 138.23 0.087 . 1 . . . . A 82 HIS CE1 . 34299 1 965 . 1 1 82 82 HIS N N 15 118.234 0.143 . 1 . . . . A 82 HIS N . 34299 1 966 . 1 1 83 83 PRO HA H 1 5.096 0.01 . 1 . . . . A 83 PRO HA . 34299 1 967 . 1 1 83 83 PRO HB2 H 1 2.289 0.01 . 2 . . . . A 83 PRO HB2 . 34299 1 968 . 1 1 83 83 PRO HB3 H 1 1.964 0.007 . 2 . . . . A 83 PRO HB3 . 34299 1 969 . 1 1 83 83 PRO HG2 H 1 2.054 0.006 . 2 . . . . A 83 PRO HG2 . 34299 1 970 . 1 1 83 83 PRO HG3 H 1 1.953 0.009 . 2 . . . . A 83 PRO HG3 . 34299 1 971 . 1 1 83 83 PRO HD2 H 1 3.427 0.005 . 2 . . . . A 83 PRO HD2 . 34299 1 972 . 1 1 83 83 PRO HD3 H 1 3.673 0.008 . 2 . . . . A 83 PRO HD3 . 34299 1 973 . 1 1 83 83 PRO C C 13 176.887 0 . 1 . . . . A 83 PRO C . 34299 1 974 . 1 1 83 83 PRO CA C 13 65.806 0.038 . 1 . . . . A 83 PRO CA . 34299 1 975 . 1 1 83 83 PRO CB C 13 32.811 0.141 . 1 . . . . A 83 PRO CB . 34299 1 976 . 1 1 83 83 PRO CG C 13 26.928 0.035 . 1 . . . . A 83 PRO CG . 34299 1 977 . 1 1 83 83 PRO CD C 13 50.429 0.029 . 1 . . . . A 83 PRO CD . 34299 1 978 . 1 1 84 84 THR H H 1 7.315 0.025 . 1 . . . . A 84 THR H . 34299 1 979 . 1 1 84 84 THR HA H 1 4.449 0.02 . 1 . . . . A 84 THR HA . 34299 1 980 . 1 1 84 84 THR HB H 1 4.387 0.008 . 1 . . . . A 84 THR HB . 34299 1 981 . 1 1 84 84 THR HG21 H 1 1.002 0.005 . 1 . . . . A 84 THR HG21 . 34299 1 982 . 1 1 84 84 THR HG22 H 1 1.002 0.005 . 1 . . . . A 84 THR HG22 . 34299 1 983 . 1 1 84 84 THR HG23 H 1 1.002 0.005 . 1 . . . . A 84 THR HG23 . 34299 1 984 . 1 1 84 84 THR CA C 13 57.726 0.059 . 1 . . . . A 84 THR CA . 34299 1 985 . 1 1 84 84 THR CB C 13 70.629 0.067 . 1 . . . . A 84 THR CB . 34299 1 986 . 1 1 84 84 THR CG2 C 13 21.338 0.048 . 1 . . . . A 84 THR CG2 . 34299 1 987 . 1 1 84 84 THR N N 15 110.218 0.043 . 1 . . . . A 84 THR N . 34299 1 988 . 1 1 85 85 PRO HA H 1 4.088 0.008 . 1 . . . . A 85 PRO HA . 34299 1 989 . 1 1 85 85 PRO HB2 H 1 2.024 0.027 . 1 . . . . A 85 PRO HB2 . 34299 1 990 . 1 1 85 85 PRO HD2 H 1 3.793 0.008 . 2 . . . . A 85 PRO HD2 . 34299 1 991 . 1 1 85 85 PRO HD3 H 1 2.502 0.01 . 2 . . . . A 85 PRO HD3 . 34299 1 992 . 1 1 85 85 PRO C C 13 177.499 0 . 1 . . . . A 85 PRO C . 34299 1 993 . 1 1 85 85 PRO CA C 13 66.131 0.048 . 1 . . . . A 85 PRO CA . 34299 1 994 . 1 1 85 85 PRO CB C 13 31.834 0.024 . 1 . . . . A 85 PRO CB . 34299 1 995 . 1 1 85 85 PRO CG C 13 26.621 0 . 1 . . . . A 85 PRO CG . 34299 1 996 . 1 1 85 85 PRO CD C 13 50.487 0.048 . 1 . . . . A 85 PRO CD . 34299 1 997 . 1 1 86 86 HIS H H 1 8.501 0.045 . 1 . . . . A 86 HIS H . 34299 1 998 . 1 1 86 86 HIS HA H 1 3.936 0.011 . 1 . . . . A 86 HIS HA . 34299 1 999 . 1 1 86 86 HIS HB2 H 1 2.705 0.008 . 2 . . . . A 86 HIS HB2 . 34299 1 1000 . 1 1 86 86 HIS HB3 H 1 2.883 0.007 . 2 . . . . A 86 HIS HB3 . 34299 1 1001 . 1 1 86 86 HIS HD2 H 1 6.85 0.005 . 1 . . . . A 86 HIS HD2 . 34299 1 1002 . 1 1 86 86 HIS HE1 H 1 7.294 0.009 . 1 . . . . A 86 HIS HE1 . 34299 1 1003 . 1 1 86 86 HIS C C 13 176.839 0 . 1 . . . . A 86 HIS C . 34299 1 1004 . 1 1 86 86 HIS CA C 13 60.129 0.033 . 1 . . . . A 86 HIS CA . 34299 1 1005 . 1 1 86 86 HIS CB C 13 30.934 0.079 . 1 . . . . A 86 HIS CB . 34299 1 1006 . 1 1 86 86 HIS CD2 C 13 118.394 0.035 . 1 . . . . A 86 HIS CD2 . 34299 1 1007 . 1 1 86 86 HIS CE1 C 13 137.242 0.074 . 1 . . . . A 86 HIS CE1 . 34299 1 1008 . 1 1 86 86 HIS N N 15 116.352 0.019 . 1 . . . . A 86 HIS N . 34299 1 1009 . 1 1 87 87 ALA H H 1 8.236 0.028 . 1 . . . . A 87 ALA H . 34299 1 1010 . 1 1 87 87 ALA HA H 1 4.22 0.007 . 1 . . . . A 87 ALA HA . 34299 1 1011 . 1 1 87 87 ALA HB1 H 1 1.74 0.016 . 1 . . . . A 87 ALA HB1 . 34299 1 1012 . 1 1 87 87 ALA HB2 H 1 1.74 0.016 . 1 . . . . A 87 ALA HB2 . 34299 1 1013 . 1 1 87 87 ALA HB3 H 1 1.74 0.016 . 1 . . . . A 87 ALA HB3 . 34299 1 1014 . 1 1 87 87 ALA C C 13 181.422 0 . 1 . . . . A 87 ALA C . 34299 1 1015 . 1 1 87 87 ALA CA C 13 54.656 0.026 . 1 . . . . A 87 ALA CA . 34299 1 1016 . 1 1 87 87 ALA CB C 13 18.39 0.051 . 1 . . . . A 87 ALA CB . 34299 1 1017 . 1 1 87 87 ALA N N 15 122.202 0.078 . 1 . . . . A 87 ALA N . 34299 1 1018 . 1 1 88 88 VAL H H 1 8.535 0.025 . 1 . . . . A 88 VAL H . 34299 1 1019 . 1 1 88 88 VAL HA H 1 3.419 0.008 . 1 . . . . A 88 VAL HA . 34299 1 1020 . 1 1 88 88 VAL HB H 1 2.321 0.018 . 1 . . . . A 88 VAL HB . 34299 1 1021 . 1 1 88 88 VAL HG11 H 1 0.903 0.008 . 2 . . . . A 88 VAL HG11 . 34299 1 1022 . 1 1 88 88 VAL HG12 H 1 0.903 0.008 . 2 . . . . A 88 VAL HG12 . 34299 1 1023 . 1 1 88 88 VAL HG13 H 1 0.903 0.008 . 2 . . . . A 88 VAL HG13 . 34299 1 1024 . 1 1 88 88 VAL HG21 H 1 1.326 0.008 . 2 . . . . A 88 VAL HG21 . 34299 1 1025 . 1 1 88 88 VAL HG22 H 1 1.326 0.008 . 2 . . . . A 88 VAL HG22 . 34299 1 1026 . 1 1 88 88 VAL HG23 H 1 1.326 0.008 . 2 . . . . A 88 VAL HG23 . 34299 1 1027 . 1 1 88 88 VAL C C 13 176.872 0 . 1 . . . . A 88 VAL C . 34299 1 1028 . 1 1 88 88 VAL CA C 13 66.967 0.04 . 1 . . . . A 88 VAL CA . 34299 1 1029 . 1 1 88 88 VAL CB C 13 31.467 0.068 . 1 . . . . A 88 VAL CB . 34299 1 1030 . 1 1 88 88 VAL CG1 C 13 23.1 0.017 . 2 . . . . A 88 VAL CG1 . 34299 1 1031 . 1 1 88 88 VAL CG2 C 13 26.052 0.08 . 2 . . . . A 88 VAL CG2 . 34299 1 1032 . 1 1 88 88 VAL N N 15 120.094 0.035 . 1 . . . . A 88 VAL N . 34299 1 1033 . 1 1 89 89 ALA H H 1 8.538 0.028 . 1 . . . . A 89 ALA H . 34299 1 1034 . 1 1 89 89 ALA HA H 1 3.797 0.013 . 1 . . . . A 89 ALA HA . 34299 1 1035 . 1 1 89 89 ALA HB1 H 1 1.4 0.023 . 1 . . . . A 89 ALA HB1 . 34299 1 1036 . 1 1 89 89 ALA HB2 H 1 1.4 0.023 . 1 . . . . A 89 ALA HB2 . 34299 1 1037 . 1 1 89 89 ALA HB3 H 1 1.4 0.023 . 1 . . . . A 89 ALA HB3 . 34299 1 1038 . 1 1 89 89 ALA C C 13 178.51 0 . 1 . . . . A 89 ALA C . 34299 1 1039 . 1 1 89 89 ALA CA C 13 55.85 0.019 . 1 . . . . A 89 ALA CA . 34299 1 1040 . 1 1 89 89 ALA CB C 13 17.731 0.065 . 1 . . . . A 89 ALA CB . 34299 1 1041 . 1 1 89 89 ALA N N 15 121.847 0.089 . 1 . . . . A 89 ALA N . 34299 1 1042 . 1 1 90 90 GLU H H 1 7.806 0.026 . 1 . . . . A 90 GLU H . 34299 1 1043 . 1 1 90 90 GLU HA H 1 3.875 0.008 . 1 . . . . A 90 GLU HA . 34299 1 1044 . 1 1 90 90 GLU HB2 H 1 1.975 0.017 . 2 . . . . A 90 GLU HB2 . 34299 1 1045 . 1 1 90 90 GLU HB3 H 1 2.098 0.01 . 2 . . . . A 90 GLU HB3 . 34299 1 1046 . 1 1 90 90 GLU HG2 H 1 2.231 0.01 . 2 . . . . A 90 GLU HG2 . 34299 1 1047 . 1 1 90 90 GLU HG3 H 1 2.105 0.01 . 2 . . . . A 90 GLU HG3 . 34299 1 1048 . 1 1 90 90 GLU C C 13 178.575 0 . 1 . . . . A 90 GLU C . 34299 1 1049 . 1 1 90 90 GLU CA C 13 59.003 0.061 . 1 . . . . A 90 GLU CA . 34299 1 1050 . 1 1 90 90 GLU CB C 13 29.268 0.055 . 1 . . . . A 90 GLU CB . 34299 1 1051 . 1 1 90 90 GLU CG C 13 35.831 0.027 . 1 . . . . A 90 GLU CG . 34299 1 1052 . 1 1 90 90 GLU N N 15 115.577 0.063 . 1 . . . . A 90 GLU N . 34299 1 1053 . 1 1 91 91 HIS H H 1 7.713 0.024 . 1 . . . . A 91 HIS H . 34299 1 1054 . 1 1 91 91 HIS HA H 1 4.219 0.007 . 1 . . . . A 91 HIS HA . 34299 1 1055 . 1 1 91 91 HIS HB2 H 1 3.017 0.007 . 2 . . . . A 91 HIS HB2 . 34299 1 1056 . 1 1 91 91 HIS HB3 H 1 2.171 0.022 . 2 . . . . A 91 HIS HB3 . 34299 1 1057 . 1 1 91 91 HIS HD2 H 1 6.84 0 . 1 . . . . A 91 HIS HD2 . 34299 1 1058 . 1 1 91 91 HIS HE1 H 1 7.707 0.005 . 1 . . . . A 91 HIS HE1 . 34299 1 1059 . 1 1 91 91 HIS C C 13 177.686 0 . 1 . . . . A 91 HIS C . 34299 1 1060 . 1 1 91 91 HIS CA C 13 59.033 0.04 . 1 . . . . A 91 HIS CA . 34299 1 1061 . 1 1 91 91 HIS CB C 13 27.806 0.041 . 1 . . . . A 91 HIS CB . 34299 1 1062 . 1 1 91 91 HIS CD2 C 13 124.973 0.042 . 1 . . . . A 91 HIS CD2 . 34299 1 1063 . 1 1 91 91 HIS CE1 C 13 139.552 0.067 . 1 . . . . A 91 HIS CE1 . 34299 1 1064 . 1 1 91 91 HIS N N 15 119.426 0.076 . 1 . . . . A 91 HIS N . 34299 1 1065 . 1 1 92 92 LEU H H 1 8.426 0.024 . 1 . . . . A 92 LEU H . 34299 1 1066 . 1 1 92 92 LEU HA H 1 3.596 0.004 . 1 . . . . A 92 LEU HA . 34299 1 1067 . 1 1 92 92 LEU HB2 H 1 0.912 0.017 . 2 . . . . A 92 LEU HB2 . 34299 1 1068 . 1 1 92 92 LEU HB3 H 1 1.968 0.009 . 2 . . . . A 92 LEU HB3 . 34299 1 1069 . 1 1 92 92 LEU HG H 1 2.144 0.008 . 1 . . . . A 92 LEU HG . 34299 1 1070 . 1 1 92 92 LEU HD11 H 1 0.757 0.022 . 2 . . . . A 92 LEU HD11 . 34299 1 1071 . 1 1 92 92 LEU HD12 H 1 0.757 0.022 . 2 . . . . A 92 LEU HD12 . 34299 1 1072 . 1 1 92 92 LEU HD13 H 1 0.757 0.022 . 2 . . . . A 92 LEU HD13 . 34299 1 1073 . 1 1 92 92 LEU HD21 H 1 1.07 0.012 . 2 . . . . A 92 LEU HD21 . 34299 1 1074 . 1 1 92 92 LEU HD22 H 1 1.07 0.012 . 2 . . . . A 92 LEU HD22 . 34299 1 1075 . 1 1 92 92 LEU HD23 H 1 1.07 0.012 . 2 . . . . A 92 LEU HD23 . 34299 1 1076 . 1 1 92 92 LEU C C 13 178.523 0 . 1 . . . . A 92 LEU C . 34299 1 1077 . 1 1 92 92 LEU CA C 13 57.935 0.056 . 1 . . . . A 92 LEU CA . 34299 1 1078 . 1 1 92 92 LEU CB C 13 40.85 0.027 . 1 . . . . A 92 LEU CB . 34299 1 1079 . 1 1 92 92 LEU CG C 13 25.955 0.014 . 1 . . . . A 92 LEU CG . 34299 1 1080 . 1 1 92 92 LEU CD1 C 13 25.922 0.053 . 2 . . . . A 92 LEU CD1 . 34299 1 1081 . 1 1 92 92 LEU CD2 C 13 23.534 0.027 . 2 . . . . A 92 LEU CD2 . 34299 1 1082 . 1 1 92 92 LEU N N 15 117.683 0.068 . 1 . . . . A 92 LEU N . 34299 1 1083 . 1 1 93 93 LEU H H 1 7.643 0.024 . 1 . . . . A 93 LEU H . 34299 1 1084 . 1 1 93 93 LEU HA H 1 3.892 0.006 . 1 . . . . A 93 LEU HA . 34299 1 1085 . 1 1 93 93 LEU HB2 H 1 1.495 0.007 . 2 . . . . A 93 LEU HB2 . 34299 1 1086 . 1 1 93 93 LEU HB3 H 1 1.832 0.005 . 2 . . . . A 93 LEU HB3 . 34299 1 1087 . 1 1 93 93 LEU HG H 1 1.811 0.002 . 1 . . . . A 93 LEU HG . 34299 1 1088 . 1 1 93 93 LEU HD11 H 1 0.798 0.015 . 2 . . . . A 93 LEU HD11 . 34299 1 1089 . 1 1 93 93 LEU HD12 H 1 0.798 0.015 . 2 . . . . A 93 LEU HD12 . 34299 1 1090 . 1 1 93 93 LEU HD13 H 1 0.798 0.015 . 2 . . . . A 93 LEU HD13 . 34299 1 1091 . 1 1 93 93 LEU HD21 H 1 1.068 0.014 . 2 . . . . A 93 LEU HD21 . 34299 1 1092 . 1 1 93 93 LEU HD22 H 1 1.068 0.014 . 2 . . . . A 93 LEU HD22 . 34299 1 1093 . 1 1 93 93 LEU HD23 H 1 1.068 0.014 . 2 . . . . A 93 LEU HD23 . 34299 1 1094 . 1 1 93 93 LEU C C 13 179.148 0 . 1 . . . . A 93 LEU C . 34299 1 1095 . 1 1 93 93 LEU CA C 13 57.402 0.056 . 1 . . . . A 93 LEU CA . 34299 1 1096 . 1 1 93 93 LEU CB C 13 41.138 0.027 . 1 . . . . A 93 LEU CB . 34299 1 1097 . 1 1 93 93 LEU CG C 13 26.862 0.07 . 1 . . . . A 93 LEU CG . 34299 1 1098 . 1 1 93 93 LEU CD1 C 13 23.463 0.046 . 2 . . . . A 93 LEU CD1 . 34299 1 1099 . 1 1 93 93 LEU CD2 C 13 25.523 0 . 2 . . . . A 93 LEU CD2 . 34299 1 1100 . 1 1 93 93 LEU N N 15 115.895 0.086 . 1 . . . . A 93 LEU N . 34299 1 1101 . 1 1 94 94 GLU H H 1 7.574 0.027 . 1 . . . . A 94 GLU H . 34299 1 1102 . 1 1 94 94 GLU HA H 1 4.071 0.004 . 1 . . . . A 94 GLU HA . 34299 1 1103 . 1 1 94 94 GLU HB2 H 1 2.099 0.012 . 1 . . . . A 94 GLU HB2 . 34299 1 1104 . 1 1 94 94 GLU HB3 H 1 1.959 0.033 . 1 . . . . A 94 GLU HB3 . 34299 1 1105 . 1 1 94 94 GLU HG2 H 1 2.316 0.007 . 2 . . . . A 94 GLU HG2 . 34299 1 1106 . 1 1 94 94 GLU HG3 H 1 2.467 0.004 . 2 . . . . A 94 GLU HG3 . 34299 1 1107 . 1 1 94 94 GLU C C 13 177.506 0 . 1 . . . . A 94 GLU C . 34299 1 1108 . 1 1 94 94 GLU CA C 13 57.802 0.041 . 1 . . . . A 94 GLU CA . 34299 1 1109 . 1 1 94 94 GLU CB C 13 29.587 0.057 . 1 . . . . A 94 GLU CB . 34299 1 1110 . 1 1 94 94 GLU CG C 13 36.395 0.045 . 1 . . . . A 94 GLU CG . 34299 1 1111 . 1 1 94 94 GLU N N 15 117.371 0.06 . 1 . . . . A 94 GLU N . 34299 1 1112 . 1 1 95 95 GLN H H 1 7.455 0.025 . 1 . . . . A 95 GLN H . 34299 1 1113 . 1 1 95 95 GLN HA H 1 4.193 0.007 . 1 . . . . A 95 GLN HA . 34299 1 1114 . 1 1 95 95 GLN HB2 H 1 1.86 0.033 . 2 . . . . A 95 GLN HB2 . 34299 1 1115 . 1 1 95 95 GLN HB3 H 1 2.259 0.024 . 2 . . . . A 95 GLN HB3 . 34299 1 1116 . 1 1 95 95 GLN HG2 H 1 1.962 0.007 . 2 . . . . A 95 GLN HG2 . 34299 1 1117 . 1 1 95 95 GLN HG3 H 1 2.265 0.004 . 2 . . . . A 95 GLN HG3 . 34299 1 1118 . 1 1 95 95 GLN HE21 H 1 6.37 0.041 . 1 . . . . A 95 GLN HE21 . 34299 1 1119 . 1 1 95 95 GLN HE22 H 1 6.593 0.027 . 1 . . . . A 95 GLN HE22 . 34299 1 1120 . 1 1 95 95 GLN C C 13 175.701 0 . 1 . . . . A 95 GLN C . 34299 1 1121 . 1 1 95 95 GLN CA C 13 55.104 0.04 . 1 . . . . A 95 GLN CA . 34299 1 1122 . 1 1 95 95 GLN CB C 13 30.08 0.147 . 1 . . . . A 95 GLN CB . 34299 1 1123 . 1 1 95 95 GLN CG C 13 32.973 0.067 . 1 . . . . A 95 GLN CG . 34299 1 1124 . 1 1 95 95 GLN N N 15 114.953 0.079 . 1 . . . . A 95 GLN N . 34299 1 1125 . 1 1 95 95 GLN NE2 N 15 113.108 0.089 . 1 . . . . A 95 GLN NE2 . 34299 1 1126 . 1 1 96 96 ILE H H 1 7.293 0.028 . 1 . . . . A 96 ILE H . 34299 1 1127 . 1 1 96 96 ILE HA H 1 4.333 0.005 . 1 . . . . A 96 ILE HA . 34299 1 1128 . 1 1 96 96 ILE HB H 1 1.925 0.008 . 1 . . . . A 96 ILE HB . 34299 1 1129 . 1 1 96 96 ILE HG12 H 1 1.233 0.011 . 2 . . . . A 96 ILE HG12 . 34299 1 1130 . 1 1 96 96 ILE HG13 H 1 1.649 0.009 . 2 . . . . A 96 ILE HG13 . 34299 1 1131 . 1 1 96 96 ILE HG21 H 1 0.908 0.011 . 1 . . . . A 96 ILE HG21 . 34299 1 1132 . 1 1 96 96 ILE HG22 H 1 0.908 0.011 . 1 . . . . A 96 ILE HG22 . 34299 1 1133 . 1 1 96 96 ILE HG23 H 1 0.908 0.011 . 1 . . . . A 96 ILE HG23 . 34299 1 1134 . 1 1 96 96 ILE HD11 H 1 0.737 0.009 . 1 . . . . A 96 ILE HD11 . 34299 1 1135 . 1 1 96 96 ILE HD12 H 1 0.737 0.009 . 1 . . . . A 96 ILE HD12 . 34299 1 1136 . 1 1 96 96 ILE HD13 H 1 0.737 0.009 . 1 . . . . A 96 ILE HD13 . 34299 1 1137 . 1 1 96 96 ILE CA C 13 58.87 0.082 . 1 . . . . A 96 ILE CA . 34299 1 1138 . 1 1 96 96 ILE CB C 13 38.102 0.044 . 1 . . . . A 96 ILE CB . 34299 1 1139 . 1 1 96 96 ILE CG1 C 13 26.842 0.033 . 1 . . . . A 96 ILE CG1 . 34299 1 1140 . 1 1 96 96 ILE CG2 C 13 17.607 0.043 . 1 . . . . A 96 ILE CG2 . 34299 1 1141 . 1 1 96 96 ILE CD1 C 13 13.107 0.021 . 1 . . . . A 96 ILE CD1 . 34299 1 1142 . 1 1 96 96 ILE N N 15 120.478 0.047 . 1 . . . . A 96 ILE N . 34299 1 1143 . 1 1 97 97 PRO HA H 1 4.475 0.006 . 1 . . . . A 97 PRO HA . 34299 1 1144 . 1 1 97 97 PRO HB2 H 1 2.29 0.026 . 2 . . . . A 97 PRO HB2 . 34299 1 1145 . 1 1 97 97 PRO HB3 H 1 1.817 0.013 . 2 . . . . A 97 PRO HB3 . 34299 1 1146 . 1 1 97 97 PRO HG2 H 1 2.067 0.012 . 2 . . . . A 97 PRO HG2 . 34299 1 1147 . 1 1 97 97 PRO HG3 H 1 2 0.021 . 2 . . . . A 97 PRO HG3 . 34299 1 1148 . 1 1 97 97 PRO HD2 H 1 3.919 0.011 . 2 . . . . A 97 PRO HD2 . 34299 1 1149 . 1 1 97 97 PRO HD3 H 1 3.681 0.012 . 2 . . . . A 97 PRO HD3 . 34299 1 1150 . 1 1 97 97 PRO C C 13 177.639 0 . 1 . . . . A 97 PRO C . 34299 1 1151 . 1 1 97 97 PRO CA C 13 63.256 0.046 . 1 . . . . A 97 PRO CA . 34299 1 1152 . 1 1 97 97 PRO CB C 13 31.903 0.05 . 1 . . . . A 97 PRO CB . 34299 1 1153 . 1 1 97 97 PRO CG C 13 27.29 0.068 . 1 . . . . A 97 PRO CG . 34299 1 1154 . 1 1 97 97 PRO CD C 13 50.743 0.044 . 1 . . . . A 97 PRO CD . 34299 1 1155 . 1 1 98 98 GLY H H 1 8.497 0.039 . 1 . . . . A 98 GLY H . 34299 1 1156 . 1 1 98 98 GLY HA2 H 1 3.967 0.005 . 1 . . . . A 98 GLY HA2 . 34299 1 1157 . 1 1 98 98 GLY C C 13 174.37 0 . 1 . . . . A 98 GLY C . 34299 1 1158 . 1 1 98 98 GLY CA C 13 45.547 0.029 . 1 . . . . A 98 GLY CA . 34299 1 1159 . 1 1 98 98 GLY N N 15 108.525 0.034 . 1 . . . . A 98 GLY N . 34299 1 1160 . 1 1 99 99 ILE H H 1 7.77 0.04 . 1 . . . . A 99 ILE H . 34299 1 1161 . 1 1 99 99 ILE HA H 1 4.346 0.004 . 1 . . . . A 99 ILE HA . 34299 1 1162 . 1 1 99 99 ILE HB H 1 1.948 0.008 . 1 . . . . A 99 ILE HB . 34299 1 1163 . 1 1 99 99 ILE HG12 H 1 1.943 0.013 . 1 . . . . A 99 ILE HG12 . 34299 1 1164 . 1 1 99 99 ILE HG13 H 1 1.217 0.02 . 1 . . . . A 99 ILE HG13 . 34299 1 1165 . 1 1 99 99 ILE HG21 H 1 0.902 0.01 . 1 . . . . A 99 ILE HG21 . 34299 1 1166 . 1 1 99 99 ILE HG22 H 1 0.902 0.01 . 1 . . . . A 99 ILE HG22 . 34299 1 1167 . 1 1 99 99 ILE HG23 H 1 0.902 0.01 . 1 . . . . A 99 ILE HG23 . 34299 1 1168 . 1 1 99 99 ILE HD11 H 1 0.826 0.014 . 1 . . . . A 99 ILE HD11 . 34299 1 1169 . 1 1 99 99 ILE HD12 H 1 0.826 0.014 . 1 . . . . A 99 ILE HD12 . 34299 1 1170 . 1 1 99 99 ILE HD13 H 1 0.826 0.014 . 1 . . . . A 99 ILE HD13 . 34299 1 1171 . 1 1 99 99 ILE C C 13 175.498 0 . 1 . . . . A 99 ILE C . 34299 1 1172 . 1 1 99 99 ILE CA C 13 60.722 0.04 . 1 . . . . A 99 ILE CA . 34299 1 1173 . 1 1 99 99 ILE CB C 13 38.595 0.071 . 1 . . . . A 99 ILE CB . 34299 1 1174 . 1 1 99 99 ILE CG1 C 13 26.661 0.065 . 1 . . . . A 99 ILE CG1 . 34299 1 1175 . 1 1 99 99 ILE CG2 C 13 17.79 0.061 . 1 . . . . A 99 ILE CG2 . 34299 1 1176 . 1 1 99 99 ILE CD1 C 13 13.357 0.055 . 1 . . . . A 99 ILE CD1 . 34299 1 1177 . 1 1 99 99 ILE N N 15 118.565 0.029 . 1 . . . . A 99 ILE N . 34299 1 1178 . 1 1 100 100 GLY H H 1 8.18 0.04 . 1 . . . . A 100 GLY H . 34299 1 1179 . 1 1 100 100 GLY HA2 H 1 3.837 0.003 . 2 . . . . A 100 GLY HA2 . 34299 1 1180 . 1 1 100 100 GLY HA3 H 1 3.784 0 . 1 . . . . A 100 GLY HA3 . 34299 1 1181 . 1 1 100 100 GLY CA C 13 45.972 0.055 . 1 . . . . A 100 GLY CA . 34299 1 1182 . 1 1 100 100 GLY N N 15 118.629 0.026 . 1 . . . . A 100 GLY N . 34299 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 34299 _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $sample_2 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 2 _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 . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Number # Position F1 Position F2 Position F3 Assign F1 Assign F2 Assign F3 Height Volume Line Width F1 (Hz) Line Width F2 (Hz) Line Width F3 (Hz) Merit Details Fit Method Vol. Method 1 1 6.56894 7.70034 112.47116 95GlnHe2b 91HisHe1 95GlnNe2 8.01038e+06 9.69180e+07 27.18836 49.56172 41.47398 1.00000 None parabolic box sum 2 2 6.32592 7.70166 112.48009 95GlnHe2a 91HisHe1 95GlnNe2 8.31096e+06 1.09481e+08 27.97693 50.24053 41.83006 1.00000 None parabolic box sum 3 4 6.56923 7.45135 112.47167 95GlnHe2b 95GlnH 95GlnNe2 4.69642e+06 6.10242e+07 27.89617 49.41055 41.71729 1.00000 None parabolic box sum 4 5 6.32631 7.45702 112.50224 95GlnHe2a 95GlnH 95GlnNe2 1.95339e+06 2.06134e+07 27.49860 40.49776 38.61690 1.00000 None parabolic box sum 5 8 6.56917 4.20815 112.46802 95GlnHe2b 95GlnHa 95GlnNe2 6.78130e+06 9.51258e+07 26.52794 54.01890 41.33499 1.00000 None parabolic box sum 6 9 6.32602 4.20282 112.45409 95GlnHe2a 95GlnHa 95GlnNe2 4.17271e+06 5.66273e+07 27.12816 53.26755 39.95132 1.00000 None parabolic box sum 7 10 6.56972 3.59332 112.47506 95GlnHe2b 92LeuHa 95GlnNe2 7.22150e+06 8.62118e+07 26.44181 43.80551 42.28473 1.00000 None parabolic box sum 8 12 6.56927 2.25491 112.48453 95GlnHe2b 95Gln(Hgb/Hbb) 95GlnNe2 2.84081e+07 3.97132e+08 27.89587 54.59608 42.47367 1.00000 None parabolic box sum 9 15 6.56989 2.09993 112.47838 95GlnHe2b 94GluHba 95GlnNe2 1.08474e+07 1.64872e+08 26.53956 64.37541 41.91244 1.00000 None parabolic box sum 10 16 6.32661 2.09942 112.48137 95GlnHe2a 94GluHba 95GlnNe2 5.84196e+06 8.87192e+07 26.57503 69.38519 38.61260 1.00000 None parabolic box sum 11 17 6.56913 1.95469 112.48428 95GlnHe2b 95GlnHga 95GlnNe2 1.63498e+07 2.44244e+08 27.15796 63.30442 41.46039 1.00000 None parabolic box sum 12 18 6.32612 1.95748 112.48818 95GlnHe2a 95GlnHga 95GlnNe2 7.09837e+06 1.03413e+08 27.60530 68.64839 38.78176 1.00000 None parabolic box sum 13 19 6.56746 1.05970 112.47945 95GlnHe2b 92LeuHdb* 95GlnNe2 1.86062e+06 1.88127e+07 33.17982 33.88699 42.94503 1.00000 None parabolic box sum 14 20 6.32343 1.06267 112.49533 95GlnHe2a 92LeuHdb* 95GlnNe2 1.19315e+06 7.67912e+06 31.36903 26.47179 48.67804 1.00000 None parabolic box sum 15 21 6.56950 0.91813 112.48415 95GlnHe2b 74LeuHdb* 95GlnNe2 6.36418e+06 8.87411e+07 28.08124 142.52950 40.62700 1.00000 None parabolic box sum 16 22 6.32628 0.91917 112.48920 95GlnHe2a 74LeuHdb* 95GlnNe2 8.32219e+06 1.10777e+08 27.07243 60.13861 40.85171 1.00000 None parabolic box sum 17 23 6.56905 0.78130 112.49221 95GlnHe2b 92LeuHda* 95GlnNe2 7.20423e+06 1.14371e+08 26.56192 67.46102 40.33732 1.00000 None parabolic box sum 18 24 6.32549 0.79008 112.49292 95GlnHe2a 92LeuHda* 95GlnNe2 5.70180e+06 8.72740e+07 26.24989 141.34566 38.26880 1.00000 None parabolic box sum 19 25 9.23514 8.35754 119.84946 29AspH 28LeuH 29AspN 3.65884e+07 5.11729e+08 28.66507 120.30837 39.97850 1.00000 None parabolic box sum 20 26 9.23572 8.24266 119.85232 29AspH 30GlnH 29AspN 3.31266e+07 4.46926e+08 28.93984 123.79029 40.21972 1.00000 None parabolic box sum 21 27 9.23604 7.93794 119.86926 29AspH 27ValH 29AspN 5.39966e+06 6.89502e+07 26.61839 52.74277 41.34834 1.00000 None parabolic box sum 22 30 9.23488 8.87073 119.86466 29AspH 31AlaH 29AspN 5.95514e+06 6.39313e+07 26.54523 38.82954 38.93554 1.00000 None parabolic box sum 23 31 9.23269 8.71491 119.75595 29AspH 32AlaH 29AspN 3.12193e+06 3.64368e+07 32.06581 140.05463 51.44995 1.00000 None parabolic box sum 24 33 6.81745 7.37849 108.31676 67GlnHe2a 67GlnHe2b 67GlnNe2 2.05994e+08 2.76047e+09 29.72633 52.09217 40.81488 1.00000 None parabolic box sum 25 34 7.37555 6.81972 108.31654 67GlnHe2b 67GlnHe2a 67GlnNe2 2.13386e+08 2.84696e+09 30.77209 51.54036 40.44545 1.00000 None parabolic box sum 26 35 7.37581 8.88105 108.29737 67GlnHe2b 67GlnH 67GlnNe2 5.92047e+06 7.87010e+07 29.74480 49.93243 43.31350 1.00000 None parabolic box sum 27 36 6.81728 8.88310 108.31555 67GlnHe2a 67GlnH 67GlnNe2 3.63240e+06 4.30299e+07 27.86547 47.91006 39.49165 1.00000 None parabolic box sum 28 38 6.82013 8.73877 108.28474 67GlnHe2a 66LeuH 67GlnNe2 1.21301e+06 5.31328e+06 24.30946 25.15654 33.51080 1.00000 None parabolic box sum 29 40 6.81710 8.26612 108.32001 67GlnHe2a 68ThrH 67GlnNe2 1.81349e+06 1.83477e+07 23.93007 42.93906 35.43591 1.00000 None parabolic box sum 30 41 7.37706 9.18345 108.31569 67GlnHe2b 74LeuH 67GlnNe2 2.19349e+06 3.19466e+07 25.84487 52.74862 45.49742 1.00000 None parabolic box sum 31 42 6.81993 9.17407 108.30128 67GlnHe2a 74LeuH 67GlnNe2 2.49179e+06 3.22696e+07 33.87719 46.85902 42.05346 1.00000 None parabolic box sum 32 45 7.37583 4.38925 108.29342 67GlnHe2b 64AspHa 67GlnNe2 1.89688e+07 2.68315e+08 30.01869 54.06648 42.90724 1.00000 None parabolic box sum 33 46 6.81767 4.38997 108.31382 67GlnHe2a 64AspHa 67GlnNe2 1.48355e+07 2.00197e+08 29.50013 52.89679 40.39574 1.00000 None parabolic box sum 34 47 7.37397 4.16294 108.29048 67GlnHe2b 67GlnHa 67GlnNe2 5.42095e+06 7.33036e+07 30.65079 52.45880 44.69812 1.00000 None parabolic box sum 35 49 7.37456 3.02004 108.31153 67GlnHe2b 64AspHbb 67GlnNe2 3.57194e+06 5.35936e+07 28.44512 60.53178 42.99092 1.00000 None parabolic box sum 36 50 7.37552 2.85868 108.29955 67GlnHe2b 67GlnHgb 67GlnNe2 1.23338e+07 1.71814e+08 30.26873 55.38478 42.22250 1.00000 None parabolic box sum 37 51 7.37584 2.54705 108.29184 67GlnHe2b 67GlnHga 67GlnNe2 3.19555e+07 5.40423e+08 30.72619 71.69586 43.31505 1.00000 None parabolic box sum 38 52 7.37563 2.27970 108.29415 67GlnHe2b 67GlnHba 67GlnNe2 2.51414e+07 3.75954e+08 30.03776 56.97162 42.93156 1.00000 None parabolic box sum 39 53 7.37570 2.01956 108.30357 67GlnHe2b 66LeuHbb 67GlnNe2 1.40331e+06 2.21339e+07 19.56969 61.77262 48.60163 1.00000 None parabolic box sum 40 55 7.37618 1.52993 108.29410 67GlnHe2b (69Ala/74Leu)Hb* 67GlnNe2 3.59668e+06 5.36738e+07 28.71037 59.79380 43.56694 1.00000 None parabolic box sum 41 59 6.81856 3.01935 108.28265 67GlnHe2a 64AspHbb 67GlnNe2 3.45706e+06 5.03849e+07 27.96859 56.91736 42.80829 1.00000 None parabolic box sum 42 60 6.81762 2.85712 108.31905 67GlnHe2a 67GlnHgb 67GlnNe2 9.57468e+06 1.25588e+08 29.18333 53.98588 39.66403 1.00000 None parabolic box sum 43 61 6.81746 2.54787 108.31791 67GlnHe2a 67GlnHga 67GlnNe2 2.49026e+07 4.05468e+08 29.39463 72.26556 39.85155 1.00000 None parabolic box sum 44 62 6.81735 2.27876 108.31316 67GlnHe2a 67GlnHba 67GlnNe2 1.97627e+07 2.87392e+08 29.44827 56.80019 40.76457 1.00000 None parabolic box sum 45 63 6.81806 2.03217 108.29760 67GlnHe2a 63ArgHba 67GlnNe2 1.65373e+06 2.16054e+07 29.52307 50.85388 42.64152 1.00000 None parabolic box sum 46 64 6.81617 1.53127 108.30393 67GlnHe2a (69Ala/74Leu)Hb* 67GlnNe2 3.11556e+06 3.94408e+07 28.12147 50.13123 40.86661 1.00000 None parabolic box sum 47 66 7.37691 0.81327 108.33623 67GlnHe2b 74LeuHda* 67GlnNe2 2.81973e+06 3.84030e+07 26.20727 63.91304 37.40084 1.00000 None parabolic box sum 48 67 6.81775 0.80892 108.36207 67GlnHe2a 74LeuHda* 67GlnNe2 2.10667e+06 2.50862e+07 24.81341 58.07839 37.10294 1.00000 None parabolic box sum 49 68 7.57557 0.13006 108.63852 79IleH 79IleHg1a 79IleN 1.68926e+07 2.59780e+08 30.84898 60.49718 40.17532 1.00000 None parabolic box sum 50 69 7.57556 0.00355 108.63876 79IleH 79IleHd1* 79IleN 1.51616e+07 1.91321e+08 30.47913 59.04402 41.04614 1.00000 None parabolic box sum 51 70 7.57555 -0.14632 108.64088 79IleH 79IleHg2* 79IleN 3.98576e+07 5.11283e+08 31.10617 47.08691 40.87412 1.00000 None parabolic box sum 52 71 7.57533 1.74563 108.64500 79IleH 78LeuHba 79IleN 3.39354e+07 4.79444e+08 31.30585 55.40483 41.31019 1.00000 None parabolic box sum 53 73 7.57595 1.38589 108.63327 79IleH 59AlaHb* 79IleN 1.85280e+07 2.94711e+08 31.36247 124.29581 40.94923 1.00000 None parabolic box sum 54 74 7.57560 1.28977 108.63799 79IleH 79IleHb 79IleN 3.19660e+07 4.63600e+08 30.90382 100.29903 41.26048 1.00000 None parabolic box sum 55 75 7.57544 1.04354 108.63283 79IleH 78LeuHdb* 79IleN 6.51739e+06 8.72402e+07 30.93570 53.95600 39.81805 1.00000 None parabolic box sum 56 76 7.57605 0.81330 108.64912 79IleH 78LeuHda* 79IleN 1.23746e+07 1.72416e+08 32.57900 56.87057 40.88926 1.00000 None parabolic box sum 57 77 7.57566 0.63304 108.63699 79IleH 79IleHg1b 79IleN 3.25078e+07 4.55860e+08 30.96968 54.02166 41.21292 1.00000 None parabolic box sum 58 79 6.74683 7.11577 109.38742 19GlnHe2a 19GlnHe2b 19GlnNe2 1.81509e+08 2.42724e+09 30.83676 50.25606 41.73112 1.00000 None parabolic box sum 59 81 7.11388 7.36244 109.37552 19GlnHe2b 14LeuH 19GlnNe2 8.65810e+06 9.09184e+07 31.71623 40.40183 41.83054 1.00000 None parabolic box sum 60 82 6.74697 7.36480 109.41371 19GlnHe2a 14LeuH 19GlnNe2 5.27628e+06 1.86401e+07 24.85663 27.16122 29.61040 1.00000 None parabolic box sum 61 83 6.74476 9.11101 109.41098 19GlnHe2a 19GlnH 19GlnNe2 2.06866e+06 2.45795e+07 28.18793 49.49710 37.86314 1.00000 None parabolic box sum 62 84 7.11178 9.10438 109.35639 19GlnHe2b 19GlnH 19GlnNe2 3.52966e+06 5.08189e+07 31.00425 53.33179 42.74595 1.00000 None parabolic box sum 63 85 9.10253 7.11418 118.51138 19GlnH 19GlnHe2b 19GlnN 4.71459e+06 5.85141e+07 26.79348 46.09042 39.40010 1.00000 None parabolic box sum 64 86 9.10313 6.74979 118.51605 19GlnH 19GlnHe2a 19GlnN 2.92857e+06 3.72901e+07 26.91880 51.70274 40.39019 1.00000 None parabolic box sum 65 87 8.24157 9.24347 118.14687 30GlnH 29AspH 30GlnN 2.97204e+07 3.92287e+08 29.34903 52.07630 38.48743 1.00000 None parabolic box sum 66 88 8.24065 8.86618 118.14747 30GlnH 31AlaH 30GlnN 4.15467e+07 5.61320e+08 29.14608 48.40870 49.57616 1.00000 None parabolic box sum 67 89 7.55090 0.13064 118.52953 80PheH 79IleHg1a 80PheN 7.41563e+06 1.11974e+08 30.80964 60.37176 39.07877 1.00000 None parabolic box sum 68 90 7.55177 0.00370 118.51250 80PheH 79IleHd1* 80PheN 4.51622e+06 5.71559e+07 30.64364 136.97910 38.02061 1.00000 None parabolic box sum 69 91 7.55070 -0.14542 118.52707 80PheH 79IleHg2* 80PheN 9.29042e+06 1.16293e+08 30.38704 46.22115 39.41590 1.00000 None parabolic box sum 70 92 9.00618 0.00373 123.58534 59AlaH 79IleHd1* 59AlaN 5.58252e+06 7.32322e+07 27.17867 53.70437 38.78891 1.00000 None parabolic box sum 71 93 9.00609 -0.14691 123.59020 59AlaH 79IleHg2* 59AlaN 3.10605e+06 3.16673e+07 26.46804 36.39070 40.59961 1.00000 None parabolic box sum 72 94 7.32547 0.00198 123.73600 78LeuH 79IleHd1* 78LeuN 1.57420e+06 1.61792e+07 28.80186 48.63050 40.80990 1.00000 None parabolic box sum 73 95 7.32308 -0.14558 123.76420 78LeuH 79IleHg2* 78LeuN 4.39959e+06 5.25480e+07 28.74047 42.85325 40.97897 1.00000 None parabolic box sum 74 96 7.97802 -0.14654 119.67109 81AspH 79IleHg2* 81AspN 2.92779e+06 3.23355e+07 29.40297 41.34937 38.19364 1.00000 None parabolic box sum 75 97 7.62985 -0.14686 119.51301 63ArgH 79IleHg2* 63ArgN 3.80634e+06 4.29521e+07 30.80696 41.53849 40.42083 1.00000 None parabolic box sum 76 98 8.52161 -0.14514 119.55498 88ValH 79IleHg2* 88ValN 1.48533e+06 1.53875e+07 31.96985 35.69872 42.80800 1.00000 None parabolic box sum 77 99 7.98010 0.00641 119.60907 81AspH 79IleHd1* 81AspN 1.12356e+06 1.77881e+07 23.60940 56.26745 53.73776 1.00000 None parabolic box sum 78 100 7.63172 0.00192 119.49973 63ArgH 79IleHd1* 63ArgN 3.75406e+06 4.72862e+07 27.53019 51.62961 39.16121 1.00000 None parabolic box sum 79 101 8.10402 0.11646 119.12020 54PheH 35LeuHda* 54PheN 4.52593e+06 6.14409e+07 29.17647 52.97071 41.08751 1.00000 None parabolic box sum 80 102 8.21451 4.43395e-04 119.09519 49PheH 79IleHd1* 49PheN 2.76575e+06 3.47652e+07 30.24131 51.76643 39.21795 1.00000 None parabolic box sum 81 103 8.10391 0.00174 119.13086 54PheH 35LeuHda* 54PheN 4.57483e+06 5.74023e+07 30.56109 61.60238 39.25270 1.00000 None parabolic box sum 82 104 8.21417 -0.14463 119.07261 49PheH 79IleHg2* 49PheN 3.30281e+06 3.80011e+07 27.86845 40.47496 41.17709 1.00000 None parabolic box sum 83 105 8.43116 0.24049 117.88316 62LeuH 62LeuHda* 62LeuN 1.51027e+07 1.88868e+08 29.47658 47.21823 39.01762 1.00000 None parabolic box sum 84 107 8.43341 0.00277 117.85727 62LeuH 79IleHd1* 62LeuN 2.72566e+06 2.85774e+07 26.35896 55.44965 36.83835 1.00000 None parabolic box sum 85 108 8.43218 -0.14940 117.90564 62LeuH 79IleHg2* 62LeuN 2.16586e+06 2.01388e+07 25.09981 38.21265 38.14209 1.00000 None parabolic box sum 86 109 7.66259 -0.14540 117.77051 82HisH 79IleHg2* 82HisN 3.59352e+06 3.95232e+07 30.84689 40.28938 41.35662 1.00000 None parabolic box sum 87 110 7.61881 1.28705 101.55764 70ThrH 70ThrHg2* 70ThrN 4.24399e+07 6.08874e+08 32.04942 54.86855 40.32159 1.00000 None parabolic box sum 88 112 7.61847 4.49745 101.55614 70ThrH 70ThrHa 70ThrN 2.75923e+07 3.61248e+08 32.34565 48.94346 40.57324 1.00000 None parabolic box sum 89 113 7.61891 4.31782 101.55730 70ThrH 69AlaHa 70ThrN 2.21696e+07 3.13592e+08 32.05359 56.22892 40.34305 1.00000 None parabolic box sum 90 114 7.61872 4.14675 101.55214 70ThrH {*}H* 70ThrN 2.71777e+07 3.94293e+08 32.26548 57.65062 40.70389 1.00000 None parabolic box sum 91 115 7.62002 3.88487 101.56048 70ThrH (71Gly/68Thr)Ha* 70ThrN 1.05370e+07 1.71493e+08 32.75752 74.76652 40.05849 1.00000 None parabolic box sum 92 120 7.30769 5.07208 109.58520 84ThrH 83ProHa 84ThrN 1.57400e+07 2.07056e+08 29.47837 56.41607 39.11400 1.00000 None parabolic box sum 93 121 7.30783 4.95736 109.58101 84ThrH 82HisHa 84ThrN 5.96265e+06 1.00519e+08 29.41132 134.55422 38.41782 1.00000 None parabolic box sum 94 122 7.83880 4.79281 110.75961 77ThrH 77ThrHb 77ThrN 1.54001e+07 2.43608e+08 30.60818 67.30414 41.87977 1.00000 None parabolic box sum 95 128 8.77702 4.74384 111.71774 15ThrH 14LeuHa 15ThrN 1.03214e+08 1.37669e+09 29.73974 51.45032 39.34467 1.00000 None parabolic box sum 96 136 7.59157 6.91516 112.91727 73AsnHd2b 73AsnHd2a 73AsnNd2 8.63014e+07 1.16229e+09 28.76490 53.25242 39.18791 1.00000 None parabolic box sum 97 150 8.98136 4.83683 117.68809 75SerH 74LeuHa 75SerN 1.26513e+07 1.99521e+08 35.30741 67.77261 40.16948 1.00000 None parabolic box sum 98 151 7.66312 5.08678 117.75296 82HisH 83ProHa 82HisN 4.14256e+06 3.48403e+07 31.55172 33.84315 37.63413 1.00000 None parabolic box sum 99 152 7.66177 4.95741 117.76270 82HisH 82HisHa 82HisN 2.52063e+07 3.32595e+08 30.93451 51.16272 39.16746 1.00000 None parabolic box sum 100 159 8.46038 4.77763 118.92765 73AsnH 73AsnHa 73AsnN 2.71418e+07 4.11479e+08 31.16995 61.58154 38.13994 1.00000 None parabolic box sum 101 162 8.21547 5.07508 119.11101 49PheH 83ProHa 49PheN 3.87547e+06 4.23569e+07 26.23141 50.82872 38.52582 1.00000 None parabolic box sum 102 173 8.10075 4.91876 121.65339 55AspH 55AspHa 55AspN 3.01621e+07 3.77852e+08 30.25234 48.15830 39.54303 1.00000 None parabolic box sum 103 181 9.00621 4.91904 123.56755 59AlaH 55AspHa 59AlaN 2.67273e+06 3.14106e+07 26.73015 41.09322 40.98833 1.00000 None parabolic box sum 104 183 6.56881 6.33305 112.49731 95GlnHe2b 95GlnHe2a 95GlnNe2 2.43723e+08 3.00553e+09 27.84401 47.20368 39.41965 1.00000 None parabolic box sum 105 184 6.32599 6.57600 112.49839 95GlnHe2a 95GlnHe2b 95GlnNe2 1.93347e+08 2.59743e+09 27.96829 53.13663 38.87749 1.00000 None parabolic box sum 106 185 7.07863 6.82611 111.74455 30GlnHe2b 30GlnHe2a 30GlnNe2 1.85473e+08 2.64319e+09 30.20972 53.18892 42.55950 1.00000 None parabolic box sum 107 186 6.82386 7.08222 111.74853 30GlnHe2a 30GlnHe2b 30GlnNe2 1.77434e+08 2.43692e+09 29.38300 52.37250 41.78178 1.00000 None parabolic box sum 108 187 7.07842 8.24345 111.72616 30GlnHe2b 30GlnH 30GlnNe2 4.50596e+06 6.10613e+07 31.38453 51.12743 41.40890 1.00000 None parabolic box sum 109 188 6.82230 8.24460 111.68721 30GlnHe2a 30GlnH 30GlnNe2 1.81123e+06 1.85936e+07 28.85669 48.34113 32.02105 1.00000 None parabolic box sum 110 190 7.07834 1.27743 111.85137 30GlnHe2b 68ThrHg2* 30GlnNe2 1.25882e+06 1.15862e+07 30.46125 35.11526 47.06895 1.00000 None parabolic box sum 111 191 7.07938 4.13632 111.74019 30GlnHe2b 30GlnHa 30GlnNe2 7.20668e+06 1.03515e+08 29.64199 59.96365 42.05680 1.00000 None parabolic box sum 112 192 6.82356 4.13977 111.73904 30GlnHe2a 30GlnHa 30GlnNe2 4.99323e+06 6.57723e+07 29.45244 55.65961 41.14676 1.00000 None parabolic box sum 113 193 7.07735 3.57822 111.71224 30GlnHe2b 65HisHbb 30GlnNe2 1.25416e+06 1.16827e+07 29.33532 48.17835 32.99558 1.00000 None parabolic box sum 114 194 7.08075 2.95744 111.74042 30GlnHe2b 29AspHbb 30GlnNe2 2.90360e+06 2.25153e+07 29.19793 36.36436 40.02261 1.00000 None parabolic box sum 115 195 7.07904 2.80433 111.73346 30GlnHe2b 30GlnHgb 30GlnNe2 2.33392e+07 3.37119e+08 30.44873 54.55951 42.82439 1.00000 None parabolic box sum 116 196 6.82406 2.80396 111.76128 30GlnHe2a 30GlnHgb 30GlnNe2 1.37524e+07 1.92288e+08 28.85550 53.53137 40.10773 1.00000 None parabolic box sum 117 197 7.07875 2.60436 111.73666 30GlnHe2b 29AspHba 30GlnNe2 3.30209e+06 4.89979e+07 29.90454 55.83142 43.49220 1.00000 None parabolic box sum 118 198 6.82780 2.59524 111.74646 30GlnHe2a 29AspHba 30GlnNe2 1.70558e+06 1.76456e+07 33.78868 41.60965 36.57281 1.00000 None parabolic box sum 119 200 7.07902 2.00768 111.74064 30GlnHe2b 30GlnHba 30GlnNe2 1.76575e+07 2.65374e+08 29.49357 60.98550 43.26296 1.00000 None parabolic box sum 120 201 6.82423 2.00626 111.74268 30GlnHe2a 30Gln(Hba/Hga) 30GlnNe2 1.09925e+07 1.59289e+08 29.76865 58.19909 41.18741 1.00000 None parabolic box sum 121 202 7.07907 1.53862 111.73165 30GlnHe2b 69AlaHb* 30GlnNe2 1.05791e+07 1.48377e+08 30.40731 57.83934 41.98897 1.00000 None parabolic box sum 122 203 6.82374 1.53778 111.74032 30GlnHe2a 69AlaHb* 30GlnNe2 9.33269e+06 1.27702e+08 28.57476 53.08198 42.06169 1.00000 None parabolic box sum 123 204 6.82744 1.26428 111.70465 30GlnHe2a 68ThrHg2* 30GlnNe2 1.39845e+06 2.13777e+07 27.34601 54.65466 42.42575 1.00000 None parabolic box sum 124 205 7.07924 0.92296 111.73641 30GlnHe2b 26LeuHdb* 30GlnNe2 1.32865e+07 1.86093e+08 30.41118 53.04345 43.23232 1.00000 None parabolic box sum 125 206 6.82334 0.92190 111.74672 30GlnHe2a 26LeuHdb* 30GlnNe2 8.28791e+06 1.12285e+08 28.82808 52.58855 39.70039 1.00000 None parabolic box sum 126 207 7.07914 0.77239 111.73908 30GlnHe2b 26LeuHda* 30GlnNe2 6.36169e+06 9.12212e+07 30.79951 56.13613 44.42751 1.00000 None parabolic box sum 127 208 6.82390 0.77057 111.73263 30GlnHe2a 26LeuHda* 30GlnNe2 3.91365e+06 5.28480e+07 27.84759 55.00773 37.84370 1.00000 None parabolic box sum 128 209 7.07732 4.33465 111.78033 30GlnHe2b 26LeuHa 30GlnNe2 3.38046e+06 4.46349e+07 28.30625 49.20099 42.51945 1.00000 None parabolic box sum 129 210 6.82614 4.32988 111.73160 30GlnHe2a 26LeuHa 30GlnNe2 2.63043e+06 3.07709e+07 26.46625 48.75867 37.31978 1.00000 None parabolic box sum 130 213 7.11185 4.34882 109.39755 19GlnHe2b 11LeuHa 19GlnNe2 5.95723e+06 8.41870e+07 31.40807 54.87680 39.26051 1.00000 None parabolic box sum 131 214 6.74780 4.34729 109.38615 19GlnHe2a 11LeuHa 19GlnNe2 5.59649e+06 7.72095e+07 28.93388 54.20645 38.59866 1.00000 None parabolic box sum 132 215 7.11181 4.13886 109.39993 19GlnHe2b 12AlaHa 19GlnNe2 8.36214e+06 1.27852e+08 30.41804 60.35996 41.87751 1.00000 None parabolic box sum 133 216 6.74743 4.14139 109.39121 19GlnHe2a 12AlaHa 19GlnNe2 7.31451e+06 1.05085e+08 29.00690 56.85524 40.37583 1.00000 None parabolic box sum 134 217 7.11177 3.84392 109.37278 19GlnHe2b 19GlnHa 19GlnNe2 5.19302e+06 6.90449e+07 29.31356 49.24385 43.04087 1.00000 None parabolic box sum 135 220 7.11237 2.85117 109.38176 19GlnHe2b 19GlnHgb 19GlnNe2 1.82162e+07 2.65391e+08 31.08859 56.21437 42.37032 1.00000 None parabolic box sum 136 221 6.74674 2.85100 109.39289 19GlnHe2a 19GlnHgb 19GlnNe2 1.47733e+07 2.05641e+08 30.81948 54.76436 40.82596 1.00000 None parabolic box sum 137 222 7.11155 2.45863 109.37990 19GlnHe2b 19GlnHbb 19GlnNe2 4.27921e+06 6.23647e+07 30.71278 60.15119 41.45908 1.00000 None parabolic box sum 138 223 6.74687 2.45902 109.39135 19GlnHe2a 19GlnHbb 19GlnNe2 3.24394e+06 4.18019e+07 29.02091 53.28525 39.05571 1.00000 None parabolic box sum 139 224 7.11196 2.25456 109.37364 19GlnHe2b 19GlnHga 19GlnNe2 2.20968e+07 3.18805e+08 31.20482 55.77795 42.80782 1.00000 None parabolic box sum 140 225 6.74687 2.25403 109.39195 19GlnHe2a 19GlnHga 19GlnNe2 1.77624e+07 2.51977e+08 30.40612 55.92932 40.40968 1.00000 None parabolic box sum 141 227 7.11228 1.91622 109.37882 19GlnHe2b 14Leu(Hbb/Hba/Hg) 19GlnNe2 1.90048e+07 2.75410e+08 31.10528 59.28110 41.78798 1.00000 None parabolic box sum 142 228 6.74736 1.92100 109.39316 19GlnHe2a {*}(Hb/Hba/Hg/Hbb) 19GlnNe2 1.63090e+07 2.38686e+08 30.75689 58.57379 41.02862 1.00000 None parabolic box sum 143 229 7.11178 1.75427 109.39085 19GlnHe2b 11LeuHbb 19GlnNe2 1.07909e+07 1.69372e+08 31.44890 67.92535 41.81004 1.00000 None parabolic box sum 144 230 6.74652 1.75439 109.39127 19GlnHe2a 11LeuHbb 19GlnNe2 7.56424e+06 1.11222e+08 28.89335 64.74264 38.43141 1.00000 None parabolic box sum 145 231 7.11219 1.49416 109.37190 19GlnHe2b 11LeuHba 19GlnNe2 1.39577e+07 2.15922e+08 30.65616 63.96848 41.79490 1.00000 None parabolic box sum 146 232 6.74740 1.49387 109.39440 19GlnHe2a 11LeuHba 19GlnNe2 1.15791e+07 1.80852e+08 30.23893 66.75252 39.83808 1.00000 None parabolic box sum 147 233 6.74121 1.20232 109.36519 19GlnHe2a 99IleHg1a 19GlnNe2 1.15557e+06 1.18945e+07 28.49400 48.44571 39.43574 1.00000 None parabolic box sum 148 234 7.11181 0.87647 109.37792 19GlnHe2b 14LeuHdb* 19GlnNe2 1.11418e+07 1.84957e+08 30.70623 127.18168 42.09697 1.00000 None parabolic box sum 149 235 6.74708 0.87154 109.39260 19GlnHe2a (14Leu/99Ile)(Hd*/Hg2*) 19GlnNe2 9.75147e+06 1.62945e+08 29.96504 127.54143 40.73656 1.00000 None parabolic box sum 150 236 7.11179 0.77976 109.38233 19GlnHe2b (14Leu/11Leu)(Hda*/Hdb*) 19GlnNe2 1.17450e+07 2.22637e+08 30.77090 125.15725 42.07075 1.00000 None parabolic box sum 151 237 6.74670 0.79205 109.38373 19GlnHe2a (99Ile/11Leu)(Hd1*/Hdb*) 19GlnNe2 1.08546e+07 2.00267e+08 30.60639 122.61029 41.58592 1.00000 None parabolic box sum 152 238 6.91142 7.59460 112.91603 73AsnHd2a 73AsnHd2b 73AsnNd2 9.03280e+07 1.18514e+09 26.99465 51.23368 40.67230 1.00000 None parabolic box sum 153 239 7.59080 2.70047 112.90377 73AsnHd2b 73AsnHba 73AsnNd2 6.42848e+06 9.34638e+07 28.82838 59.30862 41.14950 1.00000 None parabolic box sum 154 240 6.91254 2.70305 112.91480 73AsnHd2a 73AsnHba 73AsnNd2 5.08262e+06 7.53366e+07 27.52274 60.85300 41.65995 1.00000 None parabolic box sum 155 241 7.44098 6.57715 114.41416 95GlnH 95GlnHe2b 95GlnN 6.99337e+06 9.59312e+07 28.93448 54.71442 40.47847 1.00000 None parabolic box sum 156 242 7.44147 6.33282 114.41623 95GlnH 95GlnHe2a 95GlnN 3.47104e+06 4.21611e+07 28.97203 46.38215 40.70234 1.00000 None parabolic box sum 157 243 7.61891 8.60009 101.55767 70ThrH 71GlyH 70ThrN 6.01751e+07 8.43864e+08 32.32419 54.26857 40.12251 1.00000 None parabolic box sum 158 244 7.61830 8.26445 101.57210 70ThrH 68ThrH 70ThrN 6.41188e+06 8.60717e+07 34.18505 47.88426 45.76373 1.00000 None parabolic box sum 159 245 7.61834 7.98450 101.56177 70ThrH 69AlaH 70ThrN 3.04152e+07 4.00959e+08 32.10545 52.00302 39.87646 1.00000 None parabolic box sum 160 246 7.61853 1.53671 101.54978 70ThrH 69AlaHb* 70ThrN 3.57242e+07 4.97761e+08 32.05806 54.07120 39.78300 1.00000 None parabolic box sum 161 247 7.61846 0.78819 101.55979 70ThrH 74LeuHda* 70ThrN 1.43070e+07 2.40548e+08 32.14508 120.35663 40.19415 1.00000 None parabolic box sum 162 248 8.59244 7.63377 111.22763 71GlyH 70ThrH 71GlyN 7.08404e+07 1.10424e+09 31.87835 79.93593 39.69371 1.00000 None parabolic box sum 163 249 8.59239 4.48998 111.22348 71GlyH 70ThrHa 71GlyN 1.37587e+07 1.87092e+08 31.22568 54.81114 38.39064 1.00000 None parabolic box sum 164 250 8.59226 4.31312 111.22761 71GlyH 71GlyHab 71GlyN 5.35940e+07 7.46681e+08 31.73441 54.78362 39.54363 1.00000 None parabolic box sum 165 251 8.59225 4.15168 111.22614 71GlyH 70ThrHb 71GlyN 1.68894e+07 2.19269e+08 32.04823 49.96689 39.68489 1.00000 None parabolic box sum 166 252 8.59222 3.87744 111.22719 71GlyH 71GlyHaa 71GlyN 6.18574e+07 9.16194e+08 31.76123 58.45230 39.63208 1.00000 None parabolic box sum 167 253 8.59228 1.53946 111.23776 71GlyH 69AlaHb* 71GlyN 1.32469e+07 2.15033e+08 31.74812 77.14678 39.96944 1.00000 None parabolic box sum 168 254 8.59213 1.27521 111.22750 71GlyH 70ThrHg2* 71GlyN 1.71808e+07 2.52511e+08 31.74007 59.36209 40.01510 1.00000 None parabolic box sum 169 256 8.59269 0.81722 111.22571 71GlyH (72Leu/74Leu)Hda* 71GlyN 8.01075e+06 1.43115e+08 31.99130 131.19399 39.24394 1.00000 None parabolic box sum 170 257 7.73696 8.12790 102.82942 53GlyH 54PheH 53GlyN 6.86973e+07 1.06419e+09 30.71964 62.28837 40.47656 1.00000 None parabolic box sum 171 259 7.73889 4.54740 102.83525 53GlyH 51AspHa 53GlyN 7.28963e+06 8.15111e+07 30.62338 45.06012 39.70683 1.00000 None parabolic box sum 172 260 7.73711 4.38407 102.82706 53GlyH 53GlyHab 53GlyN 4.40930e+07 7.68893e+08 30.68238 76.92975 40.58290 1.00000 None parabolic box sum 173 261 7.73739 4.09555 102.79936 53GlyH 54PheHa 53GlyN 3.67020e+06 5.80566e+07 29.65808 59.88383 40.53652 1.00000 None parabolic box sum 174 262 7.73711 3.81175 102.82673 53GlyH 53GlyHaa 53GlyN 5.81781e+07 8.00065e+08 30.67434 52.81541 40.26830 1.00000 None parabolic box sum 175 263 7.73715 2.83165 102.82075 53GlyH (54Phe/51Asp)Hb* 53GlyN 8.93646e+06 1.31708e+08 31.59225 58.16450 39.86120 1.00000 None parabolic box sum 176 264 7.73668 2.68313 102.82318 53GlyH 49PheHbb 53GlyN 5.78719e+06 8.31242e+07 30.18677 58.58362 39.72709 1.00000 None parabolic box sum 177 265 7.73731 2.31176 102.82365 53GlyH 52LeuHbb 53GlyN 1.03822e+07 1.47227e+08 29.92183 55.81334 39.84129 1.00000 None parabolic box sum 178 266 7.73707 1.83447 102.82220 53GlyH 52LeuHba 53GlyN 1.46897e+07 2.14928e+08 30.93570 58.23881 40.95840 1.00000 None parabolic box sum 179 267 7.73730 0.99607 102.82344 53GlyH 52LeuHdb* 53GlyN 4.60498e+06 5.90914e+07 27.90987 52.79182 38.76567 1.00000 None parabolic box sum 180 268 7.73748 0.76308 102.82736 53GlyH 52LeuHda* 53GlyN 4.53750e+06 6.02987e+07 29.70368 54.33108 40.51423 1.00000 None parabolic box sum 181 269 8.12197 7.74036 118.00110 100GlyH 99IleH 100GlyN 1.72704e+07 2.48870e+08 24.71149 59.33152 38.26630 1.00000 None parabolic box sum 182 270 7.74553 8.18098 106.96627 36GlyH 37TyrH 36GlyN 6.09826e+07 7.69711e+08 30.40224 47.48942 39.62636 1.00000 None parabolic box sum 183 271 7.74662 7.61866 106.94319 36GlyH 35LeuH 36GlyN 3.33574e+07 4.00692e+08 30.80666 45.32354 40.11869 1.00000 None parabolic box sum 184 272 7.74544 3.82400 106.96050 36GlyH 36GlyHaa 36GlyN 5.91887e+07 8.96597e+08 30.50983 59.11046 39.87920 1.00000 None parabolic box sum 185 273 7.74558 4.06675 106.96125 36GlyH 36GlyHab 36GlyN 5.44963e+07 8.13197e+08 30.42132 61.97629 40.14349 1.00000 None parabolic box sum 186 274 7.74554 4.30693 106.96245 36GlyH 33SerHa 36GlyN 1.46113e+07 1.86932e+08 30.33876 50.50396 39.15191 1.00000 None parabolic box sum 187 275 7.74629 3.32983 106.97478 36GlyH 37TyrHbb 36GlyN 3.62023e+06 4.98606e+07 32.85825 52.68212 40.54844 1.00000 None parabolic box sum 188 276 7.74435 2.91874 106.96878 36GlyH 37TyrHba 36GlyN 5.95524e+06 8.34610e+07 30.77805 56.28278 38.24699 1.00000 None parabolic box sum 189 277 7.74658 2.25331 106.97289 36GlyH 34ValHb 36GlyN 4.12476e+06 5.26475e+07 32.49198 48.95329 40.16769 1.00000 None parabolic box sum 190 278 7.74519 1.40339 106.96759 36GlyH 35LeuHbb 36GlyN 1.69281e+07 2.46775e+08 31.13508 61.76515 40.00032 1.00000 None parabolic box sum 191 279 7.74492 1.18055 106.96111 36GlyH 35LeuHba 36GlyN 8.99719e+06 1.29616e+08 30.41983 56.95314 40.74121 1.00000 None parabolic box sum 192 280 7.74477 0.87886 106.96819 36GlyH 34ValHga* 36GlyN 4.49310e+06 6.00966e+07 29.40089 51.62371 40.56883 1.00000 None parabolic box sum 193 281 7.74465 0.62373 106.95420 36GlyH 35LeuHdb* 36GlyN 4.76522e+06 6.24800e+07 31.37022 47.71402 40.73381 1.00000 None parabolic box sum 194 282 7.74544 0.11737 106.97517 36GlyH 35LeuHda* 36GlyN 5.33729e+06 6.59106e+07 28.43231 46.81484 39.47628 1.00000 None parabolic box sum 195 283 8.17368 7.74998 119.88155 37TyrH 36GlyH 37TyrN 5.72336e+07 7.37932e+08 29.33145 50.82882 40.78507 1.00000 None parabolic box sum 196 284 8.44260 7.73947 107.93431 98GlyH 99IleH 98GlyN 5.12015e+06 7.41059e+07 33.05763 56.29173 42.08267 1.00000 None parabolic box sum 197 285 8.44227 4.47839 107.90564 98GlyH 97ProHa 98GlyN 2.19596e+07 2.92482e+08 32.71967 51.23722 39.17623 1.00000 None parabolic box sum 198 286 8.44171 3.96479 107.89767 98GlyH 98GlyHaa 98GlyN 2.59984e+07 3.66872e+08 33.18727 55.54952 38.96415 1.00000 None parabolic box sum 199 287 8.44212 2.30177 107.89445 98GlyH 97ProHbb 98GlyN 3.88141e+06 5.20022e+07 38.58954 50.50278 39.31451 1.00000 None parabolic box sum 200 288 8.44145 1.94184 107.91551 98GlyH 96IleHb 98GlyN 3.79457e+06 6.32737e+07 31.94332 64.61839 41.62610 1.00000 None parabolic box sum 201 289 7.74011 8.45282 117.96398 99IleH 98GlyH 99IleN 6.97006e+06 1.02851e+08 24.31333 52.76154 41.79019 1.00000 None parabolic box sum 202 290 7.73823 8.12960 117.99928 99IleH 100GlyH 99IleN 1.24693e+07 1.76359e+08 26.96455 52.72144 37.24271 1.00000 None parabolic box sum 203 291 7.57365 4.39084 108.62247 79IleH 77ThrHa 79IleN 4.95502e+06 6.80676e+07 29.52754 54.62675 40.13491 1.00000 None parabolic box sum 204 292 7.57497 4.03026 108.63012 79IleH 78LeuHa 79IleN 1.08905e+07 1.46705e+08 32.18889 52.86416 41.95917 1.00000 None parabolic box sum 205 293 7.57563 3.85446 108.63905 79IleH 79IleHa 79IleN 2.56014e+07 3.31205e+08 30.85643 49.13730 40.34829 1.00000 None parabolic box sum 206 294 7.57567 2.11404 108.62998 79IleH 78LeuHbb 79IleN 1.89233e+07 2.83453e+08 31.43102 62.84755 40.94219 1.00000 None parabolic box sum 207 295 7.57586 7.32900 108.63027 79IleH 78LeuH 79IleN 1.58054e+07 2.00294e+08 32.59212 44.54840 43.73598 1.00000 None parabolic box sum 208 296 7.57389 7.99202 108.65874 79IleH 81AspH 79IleN 4.38141e+06 6.13185e+07 31.05789 64.66086 41.54813 1.00000 None parabolic box sum 209 297 7.30662 8.51960 109.59025 84ThrH 88ValH 84ThrN 1.23909e+07 1.67684e+08 29.78355 55.35165 39.33179 1.00000 None parabolic box sum 210 298 7.30736 8.22207 109.58260 84ThrH 87AlaH 84ThrN 1.90832e+07 2.40085e+08 29.26141 49.57549 38.68365 1.00000 None parabolic box sum 211 300 7.30729 4.47636 109.58996 84ThrH 84ThrHa 84ThrN 2.33858e+07 3.23511e+08 29.88309 65.00842 39.38758 1.00000 None parabolic box sum 212 301 7.30877 4.20789 109.59779 84ThrH 87AlaHa 84ThrN 6.56361e+06 9.64038e+07 31.10319 54.40107 40.10916 1.00000 None parabolic box sum 213 302 7.30557 3.80935 109.58279 84ThrH 85ProHdb 84ThrN 4.99380e+06 6.55499e+07 29.55735 51.54232 40.14206 1.00000 None parabolic box sum 214 303 7.30742 3.66618 109.58025 84ThrH 83ProHdb 84ThrN 1.15116e+07 1.52602e+08 30.00498 51.81086 39.32774 1.00000 None parabolic box sum 215 304 7.30762 3.42887 109.58181 84ThrH 83ProHda 84ThrN 9.08534e+06 1.17946e+08 30.66272 51.10590 39.28602 1.00000 None parabolic box sum 216 305 7.30667 3.11829 109.59570 84ThrH 82HisHbb 84ThrN 4.31829e+06 5.28156e+07 28.79471 46.49204 37.79542 1.00000 None parabolic box sum 217 308 7.30751 1.96479 109.59026 84ThrH 83ProHba 84ThrN 9.61017e+06 1.39317e+08 30.00647 104.49416 38.65314 1.00000 None parabolic box sum 218 309 7.30730 1.73915 109.58596 84ThrH 87AlaHb* 84ThrN 1.18299e+08 1.52681e+09 30.11405 50.17251 39.43515 1.00000 None parabolic box sum 219 310 7.30774 1.31528 109.58750 84ThrH 88ValHgb* 84ThrN 1.41319e+07 1.88918e+08 29.90097 53.11618 39.94298 1.00000 None parabolic box sum 220 311 7.30734 1.00842 109.58752 84ThrH 84ThrHg2* 84ThrN 3.18899e+07 4.09109e+08 29.69325 50.63292 39.08336 1.00000 None parabolic box sum 221 312 8.21605 7.31472 121.64002 87AlaH 84ThrH 87AlaN 1.32446e+07 1.81613e+08 31.71831 52.78297 40.76272 1.00000 None parabolic box sum 222 313 8.21557 8.50461 121.63066 87AlaH {*}H 87AlaN 4.68676e+07 6.83013e+08 28.73659 61.16960 39.25884 1.00000 None parabolic box sum 223 314 8.21626 6.85480 121.62981 87AlaH 86HisHd2 87AlaN 7.73458e+06 9.53100e+07 30.82544 46.12050 39.33883 1.00000 None parabolic box sum 224 315 8.21585 4.20433 121.63746 87AlaH 87AlaHa 87AlaN 3.66770e+07 5.04192e+08 30.27231 52.68606 40.20655 1.00000 None parabolic box sum 225 316 8.21420 4.06853 121.65705 87AlaH 85ProHa 87AlaN 6.92602e+06 7.21284e+07 132.97558 35.42901 43.60318 1.00000 None parabolic box sum 226 317 8.21590 3.93058 121.64515 87AlaH 86HisHa 87AlaN 1.49200e+07 1.94586e+08 30.87461 51.36500 39.53367 1.00000 None parabolic box sum 227 318 8.21545 3.42117 121.63211 87AlaH 88ValHa 87AlaN 3.78322e+06 4.85211e+07 29.35499 48.42055 39.67232 1.00000 None parabolic box sum 228 319 8.21514 2.87163 121.63335 87AlaH 86HisHbb 87AlaN 3.42679e+07 4.94900e+08 28.34082 57.49650 39.87283 1.00000 None parabolic box sum 229 321 8.21939 2.33594 121.64579 87AlaH 88ValHb 87AlaN 7.36213e+06 1.18399e+08 43.17105 73.75332 39.46054 1.00000 None parabolic box sum 230 322 8.21627 1.73979 121.64128 87AlaH 87AlaHb* 87AlaN 9.09347e+07 1.19048e+09 31.46261 50.42611 39.71070 1.00000 None parabolic box sum 231 323 8.21529 1.32268 121.63580 87AlaH 88ValHgb* 87AlaN 7.72405e+06 1.19944e+08 28.97799 116.70526 39.37083 1.00000 None parabolic box sum 232 324 8.24606 0.99805 121.78086 44AspH 52LeuHdb* 44AspN 1.17513e+07 1.82792e+08 86.94828 68.12233 40.69489 1.00000 None parabolic box sum 233 325 8.52125 7.01065 119.49939 88ValH 49PheHe* 88ValN 7.30871e+06 1.02643e+08 30.01690 54.96507 41.64207 1.00000 None parabolic box sum 234 326 8.52201 7.31250 119.48981 88ValH 84ThrH 88ValN 7.91553e+06 1.10561e+08 30.21508 53.41814 41.03863 1.00000 None parabolic box sum 235 327 8.77642 7.55924 111.72208 15ThrH 18GluH 15ThrN 9.25429e+06 1.28748e+08 29.40536 54.31113 39.35230 1.00000 None parabolic box sum 236 328 8.77683 7.36193 111.72089 15ThrH 14LeuH 15ThrN 7.18959e+06 9.11045e+07 29.14488 50.56903 37.65285 1.00000 None parabolic box sum 237 329 8.77679 4.40006 111.72110 15ThrH 15ThrHa 15ThrN 3.19515e+07 3.89401e+08 29.80500 47.01300 38.79571 1.00000 None parabolic box sum 238 330 8.77744 4.17159 111.73143 15ThrH 18GluHa 15ThrN 5.58246e+06 8.28400e+07 30.54112 64.16900 39.51168 1.00000 None parabolic box sum 239 331 8.77550 2.85127 111.72084 15ThrH 19GlnHgb 15ThrN 4.28974e+06 5.81227e+07 30.14505 53.73189 39.90579 1.00000 None parabolic box sum 240 332 8.77697 2.37568 111.71767 15ThrH 18GluHbb 15ThrN 4.17591e+07 6.19139e+08 29.87891 66.17967 39.27982 1.00000 None parabolic box sum 241 333 8.77696 2.08795 111.72295 15ThrH 18GluHba 15ThrN 2.19558e+07 2.85873e+08 29.55556 51.05872 38.82289 1.00000 None parabolic box sum 242 334 8.77707 1.90927 111.72605 15ThrH 14Leu(Hbb/Hg) 15ThrN 1.76395e+07 2.34548e+08 29.89799 52.18791 39.72840 1.00000 None parabolic box sum 243 335 8.77693 1.73410 111.71864 15ThrH 14LeuHba 15ThrN 3.24930e+07 4.89120e+08 29.92362 65.89227 39.10625 1.00000 None parabolic box sum 244 336 8.77708 1.42802 111.71864 15ThrH 15ThrHg2* 15ThrN 7.53812e+07 1.02134e+09 29.92600 53.28210 39.35599 1.00000 None parabolic box sum 245 337 8.77726 0.86827 111.71825 15ThrH 14LeuHda* 15ThrN 2.72421e+07 3.89399e+08 30.39151 57.73044 39.36291 1.00000 None parabolic box sum 246 338 8.92468 2.04737 113.63166 58ThrH 57LeuHbb 58ThrN 4.03774e+07 5.37570e+08 29.65599 51.66814 39.32774 1.00000 None parabolic box sum 247 339 8.92472 1.75182 113.63203 58ThrH 57LeuHba 58ThrN 3.41337e+07 4.71939e+08 29.81544 53.87304 39.53969 1.00000 None parabolic box sum 248 340 8.92488 1.40782 113.63817 58ThrH 59AlaHb* 58ThrN 1.06089e+07 1.05710e+08 30.54142 38.20872 38.88094 1.00000 None parabolic box sum 249 341 8.92468 1.24133 113.63121 58ThrH 58ThrHg2* 58ThrN 4.96961e+07 6.60502e+08 29.59907 51.27379 39.37805 1.00000 None parabolic box sum 250 342 8.92483 0.99882 113.62849 58ThrH 57LeuHdb* 58ThrN 9.38410e+06 1.36097e+08 29.98203 64.95613 39.28208 1.00000 None parabolic box sum 251 343 8.92461 4.47527 113.63174 58ThrH 57LeuHa 58ThrN 1.42289e+07 1.89155e+08 30.40642 52.15370 39.50953 1.00000 None parabolic box sum 252 345 8.92453 4.12018 113.63323 58ThrH 58ThrHa 58ThrN 4.64622e+07 6.49531e+08 29.65599 54.49110 39.46865 1.00000 None parabolic box sum 253 346 8.92590 3.86128 113.62406 58ThrH 59AlaHa 58ThrN 3.40990e+06 4.44973e+07 29.97279 47.79069 41.12744 1.00000 None parabolic box sum 254 347 8.92397 8.32240 113.63003 58ThrH 57LeuH 58ThrN 6.72689e+07 8.93167e+08 29.39343 51.34957 39.60931 1.00000 None parabolic box sum 255 348 8.92463 8.10348 113.63456 58ThrH 55AspH 58ThrN 1.73410e+07 2.23840e+08 29.61993 50.11118 39.94060 1.00000 None parabolic box sum 256 349 8.92474 7.22552 113.61579 58ThrH 60LeuH 58ThrN 6.31126e+06 8.55254e+07 29.22654 52.07389 40.20000 1.00000 None parabolic box sum 257 350 8.97939 4.39875 117.66865 75SerH 75SerHa 75SerN 5.03588e+06 6.10683e+07 34.94292 45.55355 39.04617 1.00000 None parabolic box sum 258 351 8.98138 4.04173 117.69368 75SerH 75SerHbb 75SerN 6.08630e+06 8.52803e+07 36.03414 54.04564 39.39515 1.00000 None parabolic box sum 259 352 8.98237 3.70467 117.68081 75SerH 75SerHba 75SerN 6.09046e+06 8.50483e+07 32.70000 54.05626 40.14814 1.00000 None parabolic box sum 260 353 8.98068 1.52567 117.67039 75SerH 74LeuHbb 75SerN 5.98330e+06 8.47188e+07 35.57116 52.96678 42.05191 1.00000 None parabolic box sum 261 354 8.98240 0.92004 117.66801 75SerH 74LeuHdb* 75SerN 4.32484e+06 6.13372e+07 35.16227 61.04290 41.49085 1.00000 None parabolic box sum 262 355 9.10348 8.48722 118.47945 19GlnH 22ValH 19GlnN 3.83779e+06 5.54452e+07 66.89414 45.43294 58.77286 1.00000 None parabolic box sum 263 356 9.10183 8.18140 118.53692 19GlnH 17ThrH 19GlnN 3.43225e+06 4.14440e+07 31.03286 43.27807 41.52220 1.00000 None parabolic box sum 264 357 9.10307 7.94452 118.52355 19GlnH 20ArgH 19GlnN 2.85866e+07 3.99692e+08 29.80351 54.41650 39.87491 1.00000 None parabolic box sum 265 358 9.10218 7.70308 118.53444 19GlnH 21AlaH 19GlnN 5.09501e+06 4.37373e+07 30.08991 149.96740 40.89755 1.00000 None parabolic box sum 266 359 9.10249 7.55777 118.51795 19GlnH 18GluH 19GlnN 3.63247e+07 5.06859e+08 29.57791 54.45670 40.04669 1.00000 None parabolic box sum 267 360 9.10260 4.17016 118.51689 19GlnH 18GluHa 19GlnN 2.79266e+07 4.22698e+08 29.31014 58.38389 39.85941 1.00000 None parabolic box sum 268 361 9.10413 3.98189 118.54882 19GlnH 17ThrHa 19GlnN 3.65232e+06 4.02264e+07 26.25704 42.29101 36.84378 1.00000 None parabolic box sum 269 362 9.10281 3.84574 118.52256 19GlnH 19GlnHa 19GlnN 3.07277e+07 4.06941e+08 29.49506 50.54878 39.76095 1.00000 None parabolic box sum 270 363 9.10289 2.85111 118.51884 19GlnH 19GlnHgb 19GlnN 4.18587e+07 5.90758e+08 29.47077 55.95212 39.60943 1.00000 None parabolic box sum 271 364 9.10255 2.44439 118.52052 19GlnH 19GlnHbb 19GlnN 3.60134e+07 6.52830e+08 29.18094 172.10733 39.74718 1.00000 None parabolic box sum 272 365 9.10280 2.26267 118.51915 19GlnH 19GlnHga 19GlnN 2.89937e+07 4.45085e+08 29.40789 182.23109 40.06875 1.00000 None parabolic box sum 273 366 9.10329 2.08431 118.51997 19GlnH 18GluHba 19GlnN 1.54101e+07 2.16977e+08 29.99336 55.26919 40.49700 1.00000 None parabolic box sum 274 367 9.10276 1.90343 118.51930 19GlnH {*}(Hg/Hbb/Hba) 19GlnN 3.97839e+07 5.81150e+08 29.25396 60.00689 39.73055 1.00000 None parabolic box sum 275 368 9.10339 1.74297 118.52046 19GlnH 20ArgHgb 19GlnN 1.69725e+07 2.50838e+08 29.76567 173.05645 39.98291 1.00000 None parabolic box sum 276 369 9.10230 1.53077 118.50797 19GlnH 16AlaHb* 19GlnN 1.02816e+07 1.56188e+08 27.93238 71.10374 40.22521 1.00000 None parabolic box sum 277 370 9.10298 0.87473 118.51695 19GlnH (14Leu/22Val)(Hd*/Hga*) 19GlnN 1.39111e+07 2.23352e+08 29.42100 120.57917 40.70193 1.00000 None parabolic box sum 278 371 9.10270 0.79138 118.52577 19GlnH 11LeuHdb* 19GlnN 1.41407e+07 2.61687e+08 29.67700 119.93594 39.33358 1.00000 None parabolic box sum 279 372 9.23549 4.35291 119.85196 29AspH 29AspHa 29AspN 5.60030e+07 7.36840e+08 28.80335 51.95240 39.41423 1.00000 None parabolic box sum 280 373 9.23567 3.98456 119.85129 29AspH 28LeuHa 29AspN 2.61447e+07 3.41213e+08 28.80841 51.05518 39.61718 1.00000 None parabolic box sum 281 374 9.23365 3.44001 119.87691 29AspH 27ValHa 29AspN 3.20720e+06 4.10122e+07 26.75653 51.28244 40.50559 1.00000 None parabolic box sum 282 375 9.23548 2.95679 119.85167 29AspH 29AspHbb 29AspN 5.85590e+07 8.02301e+08 28.73600 54.62046 39.82043 1.00000 None parabolic box sum 283 376 9.23566 2.80330 119.85598 29AspH 30GlnHgb 29AspN 3.20310e+06 2.41174e+07 25.99344 39.67682 38.51873 1.00000 None parabolic box sum 284 377 9.23543 2.60425 119.84900 29AspH 29AspHba 29AspN 4.08113e+07 5.36258e+08 28.55927 51.50418 39.59423 1.00000 None parabolic box sum 285 379 9.23573 1.97338 119.85104 29AspH 28LeuHbb 29AspN 3.54467e+07 5.19467e+08 28.78442 61.61182 39.71815 1.00000 None parabolic box sum 286 380 9.23562 1.79602 119.84577 29AspH 28LeuHg 29AspN 1.05694e+07 1.62571e+08 28.00062 66.96680 40.46875 1.00000 None parabolic box sum 287 381 9.23574 1.56928 119.84895 29AspH 28LeuHba 29AspN 2.65498e+07 4.19901e+08 28.52321 75.16913 39.62117 1.00000 None parabolic box sum 288 382 9.23562 1.28295 119.84690 29AspH 40ThrHg2* 29AspN 1.32443e+07 1.72764e+08 28.63348 51.28676 39.51281 1.00000 None parabolic box sum 289 383 9.23397 1.11839 119.85535 29AspH 27ValHga* 29AspN 4.08133e+06 6.80056e+07 28.03832 68.03583 38.35922 1.00000 None parabolic box sum 290 384 9.23533 0.88910 119.84807 29AspH 28LeuHdb* 29AspN 1.26268e+07 1.90420e+08 28.91764 118.34006 40.21853 1.00000 None parabolic box sum 291 385 9.23568 0.77786 119.83957 29AspH 28LeuHda* 29AspN 8.72388e+06 1.22410e+08 28.38433 130.72769 39.90531 1.00000 None parabolic box sum 292 386 8.35439 9.24299 119.34411 28LeuH 29AspH 28LeuN 2.99536e+07 4.00679e+08 29.05041 52.72925 39.22868 1.00000 None parabolic box sum 293 387 8.24122 7.08386 118.14501 30GlnH 30GlnHe2b 30GlnN 7.22704e+06 1.00824e+08 29.63394 53.93693 40.24607 1.00000 None parabolic box sum 294 388 8.85999 8.24482 122.52229 31AlaH 30GlnH 31AlaN 4.07645e+07 5.60252e+08 29.14131 55.15733 39.74062 1.00000 None parabolic box sum 295 389 8.86072 8.73417 122.51612 31AlaH 32AlaH 31AlaN 3.35447e+07 3.92483e+08 29.13296 44.97244 37.64307 1.00000 None parabolic box sum 296 390 8.85945 7.66818 122.53703 31AlaH 33SerH 31AlaN 5.80544e+06 7.67052e+07 28.09227 51.96744 37.95087 1.00000 None parabolic box sum 297 391 8.85914 7.34563 122.51833 31AlaH 54PheHz 31AlaN 4.80872e+06 6.53091e+07 30.86388 53.05347 43.68705 1.00000 None parabolic box sum 298 392 8.86173 4.34603 122.50898 31AlaH 29AspHa 31AlaN 3.83530e+06 4.36146e+07 27.81600 46.40476 32.89711 1.00000 None parabolic box sum 299 393 8.86036 4.17545 122.52033 31AlaH 31AlaHa 31AlaN 3.88288e+07 5.44838e+08 29.01345 58.79082 38.05274 1.00000 None parabolic box sum 300 394 8.86010 3.99524 122.53198 31AlaH 28LeuHa 31AlaN 1.54836e+07 2.26416e+08 28.64331 58.60485 39.59650 1.00000 None parabolic box sum 301 395 8.85948 3.43826 122.51363 31AlaH 27ValHa 31AlaN 6.18847e+06 8.60911e+07 28.76848 54.86147 38.91915 1.00000 None parabolic box sum 302 396 8.86025 2.80397 122.49445 31AlaH 30GlnHgb 31AlaN 7.24397e+06 9.02788e+07 28.52470 55.24088 34.05792 1.00000 None parabolic box sum 303 397 8.86034 2.02556 122.52580 31AlaH 30GlnHba 31AlaN 2.93911e+07 5.07883e+08 29.02359 83.31052 38.69981 1.00000 None parabolic box sum 304 398 8.86302 1.83554 122.51444 31AlaH 66LeuHg 31AlaN 3.51324e+06 -1.18219e+07 28.31757 16.37438 35.38096 1.00000 None parabolic box sum 305 399 8.86005 1.67425 122.53194 31AlaH 31AlaHb* 31AlaN 9.04161e+07 1.25056e+09 29.19286 53.84198 39.75993 1.00000 None parabolic box sum 306 400 8.86018 1.52334 122.51851 31AlaH (32Ala/28Leu)Hb* 31AlaN 1.23481e+07 1.05293e+08 28.90974 34.69456 37.21827 1.00000 None parabolic box sum 307 401 8.86308 1.29012 122.48543 31AlaH 40ThrHg2* 31AlaN 3.43925e+06 4.93047e+07 29.36780 58.96381 36.95667 1.00000 None parabolic box sum 308 402 8.86002 1.13954 122.53454 31AlaH 27ValHga* 31AlaN 6.48055e+06 7.96518e+07 28.02402 51.82305 38.45745 1.00000 None parabolic box sum 309 403 8.86021 0.88619 122.52979 31AlaH 62LeuHdb* 31AlaN 3.23448e+07 4.38758e+08 28.81736 55.80311 39.36774 1.00000 None parabolic box sum 310 404 8.86065 0.77061 122.51082 31AlaH {*}Hda* 31AlaN 1.06173e+07 1.34777e+08 28.80484 137.46782 36.09651 1.00000 None parabolic box sum 311 405 8.86011 0.24040 122.53506 31AlaH 62LeuHda* 31AlaN 6.43806e+06 7.85097e+07 27.44198 45.73047 39.73275 1.00000 None parabolic box sum 312 406 9.17326 8.47715 124.69111 74LeuH 73AsnH 74LeuN 5.74042e+06 7.48099e+07 30.37617 50.52863 38.04788 1.00000 None parabolic box sum 313 409 9.17424 2.85823 124.68150 74LeuH 67GlnHgb 74LeuN 1.14927e+07 1.49881e+08 32.48125 219.46947 40.07569 1.00000 None parabolic box sum 314 411 9.17392 2.62089 124.68242 74LeuH 67GlnHga 74LeuN 1.94237e+07 3.25911e+08 32.21646 128.68006 40.00941 1.00000 None parabolic box sum 315 412 9.17492 2.27991 124.68359 74LeuH 67GlnHba 74LeuN 4.56670e+06 6.63943e+07 31.62190 55.07378 41.77028 1.00000 None parabolic box sum 316 413 9.17489 2.02518 124.69365 74LeuH 66LeuHbb 74LeuN 2.99919e+06 4.62920e+07 31.59061 68.30633 38.82805 1.00000 None parabolic box sum 317 414 9.17408 1.52875 124.68207 74LeuH 74LeuHbb 74LeuN 7.65460e+07 1.06267e+09 31.91933 55.26526 39.22719 1.00000 None parabolic box sum 318 415 9.17586 1.36398 124.68516 74LeuH 74LeuHba 74LeuN 4.38451e+06 5.96402e+07 31.64247 173.99888 40.37300 1.00000 None parabolic box sum 319 416 9.17430 0.91949 124.68213 74LeuH 74LeuHdb* 74LeuN 1.39089e+07 1.93608e+08 31.92469 122.69285 39.32396 1.00000 None parabolic box sum 320 417 9.17388 0.80849 124.68113 74LeuH 74LeuHda* 74LeuN 1.90798e+07 2.65832e+08 32.22331 109.87077 39.21425 1.00000 None parabolic box sum 321 418 8.45932 9.17704 118.91862 73AsnH 74LeuH 73AsnN 4.68505e+06 6.29363e+07 30.21747 50.90150 39.48891 1.00000 None parabolic box sum 322 419 8.46055 4.44545 118.92982 73AsnH 72LeuHa 73AsnN 7.55201e+07 9.80608e+08 31.08442 49.81237 39.03776 1.00000 None parabolic box sum 323 420 8.45989 2.70490 118.92876 73AsnH 73AsnHbb 73AsnN 4.39812e+07 6.73161e+08 31.04508 63.68383 39.12348 1.00000 None parabolic box sum 324 421 8.46396 0.84091 118.76723 73AsnH 72LeuHda* 73AsnN 2.70096e+07 4.91651e+08 34.48606 69.31246 65.01603 1.00000 None parabolic box sum 325 422 8.46085 1.22977 118.91939 73AsnH 72LeuHba 73AsnN 2.44848e+07 3.27422e+08 31.86822 52.01649 40.04550 1.00000 None parabolic box sum 326 423 9.00540 8.32286 123.57865 59AlaH 57LeuH 59AlaN 1.20686e+07 1.76543e+08 27.92940 57.71835 40.41648 1.00000 None parabolic box sum 327 424 9.00576 8.10382 123.58176 59AlaH 55AspH 59AlaN 1.75567e+07 2.30451e+08 27.76355 50.40252 40.44303 1.00000 None parabolic box sum 328 425 9.00602 7.64351 123.58265 59AlaH 61GluH 59AlaN 6.30400e+06 8.73592e+07 26.31202 53.97221 38.02013 1.00000 None parabolic box sum 329 426 9.00583 7.38956 123.58008 59AlaH 54PheHd* 59AlaN 1.06445e+07 1.14829e+08 27.48325 48.70756 39.03055 1.00000 None parabolic box sum 330 427 9.00596 7.22435 123.58408 59AlaH 60LeuH 59AlaN 3.86449e+07 5.22885e+08 28.10314 53.16454 39.86630 1.00000 None parabolic box sum 331 430 9.00517 4.47733 123.54358 59AlaH 57LeuHa 59AlaN 5.10796e+06 6.08796e+07 27.37552 49.06023 35.55226 1.00000 None parabolic box sum 332 432 9.00552 4.12090 123.58194 59AlaH 58ThrHa 59AlaN 2.70588e+07 3.82867e+08 28.14054 55.72487 40.52860 1.00000 None parabolic box sum 333 433 9.00570 3.86043 123.57643 59AlaH 59AlaHa 59AlaN 3.88131e+07 5.13115e+08 27.95070 50.90774 40.11521 1.00000 None parabolic box sum 334 434 8.87758 8.26342 123.64578 67GlnH 68ThrH 67GlnN 3.50219e+07 4.45586e+08 30.36410 50.28054 37.85717 1.00000 None parabolic box sum 335 435 8.87763 8.73445 123.64157 67GlnH 66LeuH 67GlnN 3.93084e+07 3.64336e+08 30.05356 38.26072 38.90464 1.00000 None parabolic box sum 336 436 8.87751 7.99297 123.61868 67GlnH 69AlaH 67GlnN 4.31348e+06 5.69372e+07 28.46628 55.94377 40.06726 1.00000 None parabolic box sum 337 437 8.25911 8.88308 117.38411 68ThrH 67GlnH 68ThrN 3.07454e+07 4.27221e+08 27.85593 51.57343 90.17241 1.00000 None parabolic box sum 338 438 7.32396 7.84355 123.72652 78LeuH 77ThrH 78LeuN 5.02615e+07 6.28828e+08 28.87756 47.94894 39.05448 1.00000 None parabolic box sum 339 439 7.32522 7.58317 123.72407 78LeuH 79IleH 78LeuN 2.06720e+07 1.90898e+08 29.58715 33.66701 38.05399 1.00000 None parabolic box sum 340 440 7.32574 6.68159 123.72132 78LeuH 82HisHd2 78LeuN 5.09479e+06 5.56241e+07 32.61089 36.45911 43.94197 1.00000 None parabolic box sum 341 441 7.32432 4.39183 123.72436 78LeuH 77ThrHa 78LeuN 2.73573e+07 3.51576e+08 29.05637 51.13382 39.22707 1.00000 None parabolic box sum 342 442 7.32413 4.02963 123.72584 78LeuH 78LeuHa 78LeuN 6.19569e+07 8.67780e+08 29.37347 56.07519 39.23076 1.00000 None parabolic box sum 343 443 7.32418 3.70223 123.71943 78LeuH 75SerHba 78LeuN 1.67317e+07 2.22450e+08 29.17677 54.43252 38.91751 1.00000 None parabolic box sum 344 446 7.32446 1.38213 123.71479 78LeuH 59AlaHb* 78LeuN 1.39172e+07 2.02757e+08 28.86385 67.75393 37.36493 1.00000 None parabolic box sum 345 447 7.32398 1.13061 123.72532 78LeuH 77ThrHg2* 78LeuN 8.48211e+06 1.32419e+08 29.18541 127.30121 39.27913 1.00000 None parabolic box sum 346 448 7.32412 1.03942 123.72455 78LeuH 78LeuHdb* 78LeuN 1.74703e+07 2.70263e+08 29.25038 63.48134 38.57571 1.00000 None parabolic box sum 347 449 7.32436 0.81071 123.72576 78LeuH 78LeuHda* 78LeuN 1.89451e+07 2.53834e+08 29.35886 55.16303 38.97455 1.00000 None parabolic box sum 348 450 7.32423 2.11498 123.72526 78LeuH 78LeuHbb 78LeuN 6.38773e+07 9.13504e+08 29.23459 60.02813 39.28173 1.00000 None parabolic box sum 349 451 7.57308 7.32237 115.00995 11LeuH 12AlaH 11LeuN 6.44916e+07 7.69616e+08 29.93226 44.43596 39.93791 1.00000 None parabolic box sum 350 452 7.57308 7.71448 115.00644 11LeuH 10LysH 11LeuN 4.05072e+07 3.42188e+08 29.92958 30.28250 38.63841 1.00000 None parabolic box sum 351 453 7.80362 3.87688 115.03256 90GluH 90GluHa 90GluN 4.11858e+07 5.89609e+08 29.79070 60.46651 39.50375 1.00000 None parabolic box sum 352 454 7.80361 4.20907 115.03741 90GluH 87AlaHa 90GluN 2.10381e+07 2.97742e+08 30.61086 55.01166 39.53534 1.00000 None parabolic box sum 353 455 7.85801 4.27842 115.33948 9SerH 9SerHa 9SerN 2.45332e+07 3.78241e+08 31.42446 65.66737 39.54989 1.00000 None parabolic box sum 354 456 7.85837 3.99416 115.33525 9SerH 9SerHba 9SerN 2.40305e+07 3.44122e+08 30.98965 54.96802 39.34079 1.00000 None parabolic box sum 355 457 7.63096 4.08006 115.26628 93LeuH 94GluHa 93LeuN 4.14234e+06 5.00596e+07 32.69106 145.42795 35.65687 1.00000 None parabolic box sum 356 458 7.63200 3.88532 115.36984 93LeuH 93LeuHa 93LeuN 4.57785e+07 6.20323e+08 30.08395 53.17319 40.48824 1.00000 None parabolic box sum 357 459 7.57337 4.32956 115.00779 11LeuH 11LeuHa 11LeuN 3.28540e+07 4.99600e+08 30.83944 113.47300 39.71404 1.00000 None parabolic box sum 358 460 7.57381 4.23693 115.00202 11LeuH 10LysHa 11LeuN 1.81983e+07 3.39779e+08 31.14253 141.97866 39.50375 1.00000 None parabolic box sum 359 462 7.57319 3.71831 115.00841 11LeuH 8ThrHa 11LeuN 1.61449e+07 1.97200e+08 30.41148 46.01709 39.12687 1.00000 None parabolic box sum 360 463 7.63167 8.41112 115.37453 93LeuH 92LeuH 93LeuN 2.68268e+07 3.58947e+08 29.68103 51.51932 40.46708 1.00000 None parabolic box sum 361 464 7.80355 8.51861 115.02753 90GluH 89AlaH 90GluN 3.78632e+07 4.90751e+08 29.68758 52.66836 39.00820 1.00000 None parabolic box sum 362 465 8.51064 7.80514 121.33579 89AlaH 90GluH 89AlaN 3.35975e+07 4.58817e+08 30.56467 53.06674 39.54995 1.00000 None parabolic box sum 363 466 8.53111 7.65839 121.23273 24ArgH 25LysH 24ArgN 3.58593e+07 4.96925e+08 30.79951 54.22247 40.57896 1.00000 None parabolic box sum 364 467 8.53234 8.00963 121.21773 24ArgH 23ThrH 24ArgN 3.96579e+07 5.39710e+08 29.26469 52.76783 40.74234 1.00000 None parabolic box sum 365 468 8.73900 7.63300 121.52173 64AspH 63ArgH 64AspN 3.38515e+07 4.45481e+08 29.49685 50.31632 40.15779 1.00000 None parabolic box sum 366 469 8.73929 7.05968 121.52316 64AspH 63ArgHe 64AspN 1.00290e+07 1.50457e+08 28.58847 61.57230 40.96246 1.00000 None parabolic box sum 367 470 8.73959 4.38959 121.52557 64AspH 64AspHa 64AspN 3.26224e+07 4.52231e+08 29.60742 53.68156 40.00276 1.00000 None parabolic box sum 368 471 8.73944 4.16217 121.52234 64AspH 60LeuHa 64AspN 2.79454e+07 4.03543e+08 29.69980 56.43022 40.26002 1.00000 None parabolic box sum 369 473 8.73972 3.63462 121.53051 64AspH 63ArgHa 64AspN 1.26260e+07 1.76808e+08 29.03819 54.40185 40.87979 1.00000 None parabolic box sum 370 474 8.73947 2.95193 121.52490 64AspH 64AspHbb 64AspN 5.24974e+07 7.62440e+08 29.61695 59.78475 40.11285 1.00000 None parabolic box sum 371 475 8.73970 2.74446 121.52373 64AspH 64AspHba 64AspN 3.38654e+07 4.78778e+08 29.73288 54.96369 40.42840 1.00000 None parabolic box sum 372 476 8.73966 2.29208 121.52098 64AspH 63ArgHbb 64AspN 3.21009e+07 4.58535e+08 29.85299 57.97145 39.99323 1.00000 None parabolic box sum 373 477 8.73984 2.03345 121.52325 64AspH 63ArgHba 64AspN 2.83983e+07 4.15286e+08 29.28913 60.41776 39.92087 1.00000 None parabolic box sum 374 478 8.73960 3.23546 121.53653 64AspH 65HisHba 64AspN 7.95356e+06 1.30000e+08 28.76103 69.55504 40.37738 1.00000 None parabolic box sum 375 480 8.73936 1.03250 121.51875 64AspH {*}(Hda*/Hgb*/Hdb*) 64AspN 5.03712e+06 8.48278e+07 29.52874 72.00293 40.70961 1.00000 None parabolic box sum 376 481 8.73885 0.82569 121.53217 64AspH 66LeuHda* 64AspN 4.42697e+06 8.14189e+07 29.71679 109.59830 40.56096 1.00000 None parabolic box sum 377 483 8.73798 1.79245 121.49930 64AspH 62LeuHbb 64AspN 3.49516e+06 6.24869e+07 34.56712 243.37385 42.78338 1.00000 None parabolic box sum 378 484 7.62981 8.74300 119.50393 63ArgH 64AspH 63ArgN 3.10426e+07 4.18932e+08 28.97710 52.49458 40.45105 1.00000 None parabolic box sum 379 493 7.55413 9.10902 123.87473 18GluH 19GlnH 18GluN 3.31271e+07 4.75295e+08 29.48672 55.33342 40.71897 1.00000 None parabolic box sum 380 494 7.55361 8.18320 123.87587 18GluH 17ThrH 18GluN 1.33066e+07 1.62991e+08 28.87964 45.65872 38.69194 1.00000 None parabolic box sum 381 495 7.55480 8.78377 123.86144 18GluH 15ThrH 18GluN 9.58383e+06 1.20867e+08 28.74792 45.86415 40.03829 1.00000 None parabolic box sum 382 496 7.55442 4.14929 123.87001 18GluH 18GluHa 18GluN 4.38521e+07 7.75000e+08 29.44559 79.33241 40.72365 1.00000 None parabolic box sum 383 497 7.55404 3.97665 123.86693 18GluH 17ThrHa 18GluN 1.35347e+07 1.57808e+08 29.03432 39.74327 41.30566 1.00000 None parabolic box sum 384 499 7.55560 2.85348 123.87310 18GluH 19GlnHgb 18GluN 5.34455e+06 7.28492e+07 26.53390 52.94555 41.14637 1.00000 None parabolic box sum 385 500 7.55426 2.36285 123.86947 18GluH 18GluHbb 18GluN 6.87116e+07 1.16422e+09 29.70606 73.74821 40.85147 1.00000 None parabolic box sum 386 501 7.55555 1.74018 123.86753 18GluH 20ArgHgb 18GluN 9.56390e+06 1.42997e+08 30.71636 60.24555 41.38979 1.00000 None parabolic box sum 387 502 7.55401 2.08849 123.86083 18GluH 18GluHba 18GluN 2.88958e+07 4.00827e+08 29.80769 53.30726 41.15018 1.00000 None parabolic box sum 388 503 7.55546 1.90772 123.85104 18GluH {*}Hb* 18GluN 8.04132e+06 1.16764e+08 29.68669 60.49875 40.61404 1.00000 None parabolic box sum 389 504 7.55462 1.55763 123.87279 18GluH 21AlaHb* 18GluN 6.77253e+06 1.03875e+08 28.25052 217.30231 40.17666 1.00000 None parabolic box sum 390 505 7.55482 0.87365 123.87645 18GluH 14LeuHda* 18GluN 7.26909e+06 1.07909e+08 28.78398 64.95652 38.80805 1.00000 None parabolic box sum 391 506 7.55583 1.43943 123.85198 18GluH 15ThrHg2* 18GluN 8.67426e+06 1.23511e+08 29.39194 140.24046 41.64359 1.00000 None parabolic box sum 392 507 7.55426 1.30767 123.85413 18GluH 17ThrHg2* 18GluN 1.47193e+07 1.98585e+08 29.45781 50.96239 40.64062 1.00000 None parabolic box sum 393 508 7.94001 9.10971 120.04513 20ArgH 19GlnH 20ArgN 2.68425e+07 3.81064e+08 29.27005 55.09442 40.00694 1.00000 None parabolic box sum 394 509 7.93969 8.49247 120.06831 20ArgH 22ValH 20ArgN 4.38441e+06 4.73822e+07 25.33525 43.55643 37.51874 1.00000 None parabolic box sum 395 511 7.94026 3.88850 120.03793 20ArgH 20ArgHa 20ArgN 3.82287e+07 5.92600e+08 29.83928 69.64587 40.84027 1.00000 None parabolic box sum 396 512 7.93554 4.16060 120.03262 20ArgH 18GluHa 20ArgN 1.83964e+07 3.10194e+08 45.56388 67.41344 44.35641 1.00000 None parabolic box sum 397 514 7.94014 1.91019 120.03682 20ArgH 20ArgHbb 20ArgN 7.32304e+07 1.22669e+09 30.12359 91.36737 40.72213 1.00000 None parabolic box sum 398 515 7.93993 1.53644 120.06824 20ArgH 20ArgHga 20ArgN 2.12639e+07 3.14081e+08 29.71768 68.06257 37.40090 1.00000 None parabolic box sum 399 516 7.93998 2.46150 120.03138 20ArgH 19GlnHbb 20ArgN 2.56790e+07 3.77668e+08 28.85342 61.97865 39.83647 1.00000 None parabolic box sum 400 517 7.94004 0.79874 120.03912 20ArgH (11Leu/93Leu)(Hdb*/Hda*) 20ArgN 1.96278e+07 2.81915e+08 29.79487 57.01408 40.54320 1.00000 None parabolic box sum 401 518 7.21701 7.64565 119.51598 60LeuH 61GluH 60LeuN 4.98158e+07 7.07194e+08 29.38718 54.07896 40.01492 1.00000 None parabolic box sum 402 519 7.64023 7.22060 119.43810 61GluH 60LeuH 61GluN 5.53434e+07 7.94859e+08 29.70427 55.21198 39.75648 1.00000 None parabolic box sum 403 520 7.21704 8.44007 119.51615 60LeuH 62LeuH 60LeuN 5.70036e+06 6.68716e+07 28.54675 44.12840 39.09463 1.00000 None parabolic box sum 404 521 7.21725 9.00716 119.50959 60LeuH 59AlaH 60LeuN 3.80232e+07 5.34128e+08 29.52904 53.97000 40.33756 1.00000 None parabolic box sum 405 522 7.63563 8.43804 119.46770 63ArgH 62LeuH 63ArgN 5.99651e+07 7.83893e+08 30.39122 49.17317 40.10761 1.00000 None parabolic box sum 406 524 7.62968 3.63633 119.50892 63ArgH 63ArgHa 63ArgN 3.34716e+07 4.32086e+08 29.42204 48.26603 40.46476 1.00000 None parabolic box sum 407 526 7.63659 3.86610 119.49028 63ArgH 59AlaHa 63ArgN 7.45165e+06 1.09317e+08 111.55188 53.85928 40.65752 1.00000 None parabolic box sum 408 527 7.63071 3.24380 119.50772 63ArgH 65HisHba 63ArgN 4.76586e+06 7.23318e+07 30.10869 63.34885 40.49546 1.00000 None parabolic box sum 409 528 7.63155 2.98262 119.49466 63ArgH 64AspHbb 63ArgN 5.34568e+06 9.56287e+07 27.00061 82.20649 40.49820 1.00000 None parabolic box sum 410 529 7.21794 4.47690 119.51318 60LeuH 57LeuHa 60LeuN 1.35781e+07 1.78493e+08 29.83004 51.67325 39.62874 1.00000 None parabolic box sum 411 530 7.21748 4.14660 119.50980 60LeuH 60LeuHa 60LeuN 5.11148e+07 6.91183e+08 29.59430 52.01295 40.17061 1.00000 None parabolic box sum 412 531 7.21787 3.86203 119.51456 60LeuH 59AlaHa 60LeuN 1.15502e+07 1.57584e+08 30.62755 51.62843 40.32910 1.00000 None parabolic box sum 413 532 7.21752 2.18789 119.50317 60LeuH 61GluHga 60LeuN 5.86777e+06 7.36057e+07 27.33439 52.67269 38.64890 1.00000 None parabolic box sum 414 533 7.22118 2.09351 119.51329 60LeuH 61GluHga 60LeuN 4.39156e+06 2.29242e+07 29.68162 25.44208 39.36005 1.00000 None parabolic box sum 415 534 7.21772 1.92722 119.51741 60LeuH 60LeuHbb 60LeuN 1.09035e+08 1.68717e+09 31.41850 62.84559 40.10385 1.00000 None parabolic box sum 416 535 7.21766 1.40618 119.50962 60LeuH 59AlaHb* 60LeuN 4.94384e+07 6.47161e+08 29.67536 49.72430 40.09730 1.00000 None parabolic box sum 417 536 7.21688 1.25488 119.51641 60LeuH 58ThrHg2* 60LeuN 3.51429e+06 2.53908e+07 74.83304 42.79349 40.08621 1.00000 None parabolic box sum 418 537 7.21764 1.02682 119.50646 60LeuH 60LeuHdb* 60LeuN 1.90050e+07 2.98951e+08 28.69874 65.84862 39.92391 1.00000 None parabolic box sum 419 538 7.28076 7.44832 119.93306 96IleH 95GlnH 96IleN 5.21937e+07 5.77576e+08 27.83090 42.15714 38.73545 1.00000 None parabolic box sum 420 541 7.28096 4.32409 119.93665 96IleH 96IleHa 96IleN 3.59493e+07 4.39271e+08 29.11687 46.66032 38.79243 1.00000 None parabolic box sum 421 542 7.28014 4.19040 119.91370 96IleH 95GlnHa 96IleN 2.04093e+07 2.46384e+08 30.94345 43.17879 40.44873 1.00000 None parabolic box sum 422 543 7.28166 4.07004 119.92829 96IleH 94GluHa 96IleN 8.70505e+06 9.28035e+07 83.55767 211.23529 39.65455 1.00000 None parabolic box sum 423 544 7.28083 3.90028 119.92700 96IleH 93LeuHa 96IleN 2.30161e+07 3.18598e+08 30.09707 54.04485 39.79099 1.00000 None parabolic box sum 424 545 7.28114 3.66428 119.94461 96IleH 97ProHda 96IleN 8.90476e+06 1.24855e+08 28.35274 61.82059 39.31510 1.00000 None parabolic box sum 425 546 7.28101 2.25918 119.92831 96IleH 95GlnHbb 96IleN 1.69057e+07 2.15341e+08 29.19525 49.45223 38.43528 1.00000 None parabolic box sum 426 547 7.28090 2.08811 119.89464 96IleH 94GluHba 96IleN 3.29352e+06 3.63483e+07 31.08978 38.71867 42.89615 1.00000 None parabolic box sum 427 548 7.28044 1.91469 119.91833 96IleH 96IleHb 96IleN 9.26538e+07 1.27813e+09 32.63533 53.81642 40.71712 1.00000 None parabolic box sum 428 549 7.28125 1.66270 119.93649 96IleH 96IleHg1b 96IleN 4.14077e+07 5.34860e+08 30.65914 50.37028 39.16764 1.00000 None parabolic box sum 429 550 7.28101 1.21921 119.93388 96IleH 96IleHg1a 96IleN 3.52879e+07 4.88597e+08 29.15353 55.11192 39.25180 1.00000 None parabolic box sum 430 551 7.28125 0.89802 119.93643 96IleH 96IleHg2* 96IleN 2.69968e+07 4.40452e+08 31.58063 147.89863 38.74099 1.00000 None parabolic box sum 431 552 7.28105 0.75980 119.93400 96IleH 96IleHd1* 96IleN 2.40935e+07 3.89030e+08 28.97114 152.43858 39.36535 1.00000 None parabolic box sum 432 553 7.35558 7.11197 119.97905 14LeuH 19GlnHe2b 14LeuN 1.38363e+07 1.12240e+08 28.83285 28.13864 40.28964 1.00000 None parabolic box sum 433 554 7.35480 6.73675 119.94939 14LeuH 19GlnHe2a 14LeuN 6.60093e+06 8.91841e+07 28.98425 53.56794 40.20953 1.00000 None parabolic box sum 434 555 7.35555 4.74361 119.97556 14LeuH 14LeuHa 14LeuN 3.62665e+07 4.98204e+08 29.85269 53.04011 39.25490 1.00000 None parabolic box sum 435 556 7.35029 4.34097 119.96906 14LeuH 11LeuHa 14LeuN 7.78852e+06 1.14527e+08 84.43803 58.39253 39.15042 1.00000 None parabolic box sum 436 557 7.35513 4.10156 119.97299 14LeuH 13GlyHab 14LeuN 2.96184e+07 4.33937e+08 30.13551 60.28329 39.88159 1.00000 None parabolic box sum 437 558 7.35514 3.84285 119.97182 14LeuH 13GlyHaa 14LeuN 2.28034e+07 3.08707e+08 30.26783 52.67701 39.31713 1.00000 None parabolic box sum 438 559 7.35599 2.85174 119.97288 14LeuH 19GlnHgb 14LeuN 8.64463e+06 1.15006e+08 28.75030 52.38764 38.11824 1.00000 None parabolic box sum 439 560 7.35659 2.38329 119.97567 14LeuH 18GluHbb 14LeuN 4.99448e+06 7.67022e+07 29.10435 143.42239 37.84448 1.00000 None parabolic box sum 440 561 7.35502 2.26100 119.97568 14LeuH 19GlnHga 14LeuN 9.00214e+06 1.20650e+08 79.22232 58.80418 38.45036 1.00000 None parabolic box sum 441 562 7.35725 2.08971 119.92508 14LeuH 18GluHba 14LeuN 3.39731e+06 4.03699e+07 31.91173 46.39847 36.63445 1.00000 None parabolic box sum 442 564 7.35523 1.70201 119.97571 14LeuH 14LeuHba 14LeuN 6.77260e+07 1.07146e+09 30.51907 69.31993 39.61313 1.00000 None parabolic box sum 443 565 7.35460 1.45308 119.95964 14LeuH {*}(Hb*/Hg2*/Hba) 14LeuN 1.08144e+07 1.49791e+08 31.24863 56.12826 43.05756 1.00000 None parabolic box sum 444 566 7.35496 0.87899 119.97431 14LeuH 14LeuHda* 14LeuN 4.24231e+07 6.08172e+08 30.88772 58.86631 39.53594 1.00000 None parabolic box sum 445 567 7.48149 2.04709 121.75449 47GluH 47GluHbb 47GluN 2.09903e+07 3.40432e+08 34.67292 132.12109 38.92171 1.00000 None parabolic box sum 446 568 7.48134 1.93682 121.75838 47GluH 47GluHba 47GluN 2.89804e+07 4.31619e+08 35.32171 121.17836 39.92581 1.00000 None parabolic box sum 447 569 7.48007 1.00293 121.75508 47GluH 52LeuHdb* 47GluN 5.05048e+06 7.32283e+07 35.45046 57.86922 38.62041 1.00000 None parabolic box sum 448 570 7.48072 0.76809 121.77327 47GluH 52LeuHda* 47GluN 3.29700e+06 4.23478e+07 36.79931 55.53812 39.96277 1.00000 None parabolic box sum 449 571 7.48039 3.27406 121.76269 47GluH 46HisHbb 47GluN 4.68690e+06 6.40007e+07 36.03458 52.16117 39.94054 1.00000 None parabolic box sum 450 572 7.48198 2.94203 121.74190 47GluH 46HisHba 47GluN 5.83020e+06 7.96810e+07 33.32824 55.03328 39.06912 1.00000 None parabolic box sum 451 573 7.48079 2.77516 121.74993 47GluH 44AspHbb 47GluN 6.98135e+06 9.22645e+07 35.34615 51.54232 38.42038 1.00000 None parabolic box sum 452 574 7.47953 2.63374 121.76360 47GluH 44AspHba 47GluN 3.46858e+06 4.81457e+07 36.58831 63.89771 39.67822 1.00000 None parabolic box sum 453 575 7.48088 2.36891 121.75459 47GluH 47GluHgb 47GluN 9.07502e+06 1.35089e+08 34.36953 98.21208 38.47510 1.00000 None parabolic box sum 454 576 7.48096 4.62774 121.75645 47GluH 46HisHa 47GluN 1.72515e+07 2.23837e+08 34.98822 49.21829 39.77495 1.00000 None parabolic box sum 455 577 7.48087 4.32467 121.75494 47GluH 47GluHa 47GluN 2.31942e+07 3.12679e+08 35.23201 51.91426 39.62070 1.00000 None parabolic box sum 456 578 7.47978 3.87855 121.76473 47GluH 45ThrHa 47GluN 3.74452e+06 5.33455e+07 32.55576 100.48578 39.64531 1.00000 None parabolic box sum 457 580 7.48155 8.81727 121.75120 47GluH 48SerH 47GluN 6.46635e+06 8.08394e+07 33.61315 48.31871 38.71167 1.00000 None parabolic box sum 458 581 7.48064 8.45339 121.76526 47GluH 46HisH 47GluN 1.57431e+07 2.16644e+08 35.20072 52.94348 40.12769 1.00000 None parabolic box sum 459 582 7.68208 9.11110 122.10155 21AlaH 19GlnH 21AlaN 5.21864e+06 7.04786e+07 31.75706 51.91003 40.09932 1.00000 None parabolic box sum 460 583 7.68366 8.49142 122.12209 21AlaH 22ValH 21AlaN 3.79623e+07 5.03198e+08 28.70530 51.12035 39.93016 1.00000 None parabolic box sum 461 584 7.68290 7.94483 122.12210 21AlaH 20ArgH 21AlaN 3.59727e+07 4.27454e+08 28.63139 52.04155 39.34878 1.00000 None parabolic box sum 462 585 7.68304 4.12616 122.11660 21AlaH 21AlaHa 21AlaN 4.88392e+07 7.32534e+08 28.75268 68.67395 39.91789 1.00000 None parabolic box sum 463 586 7.68291 3.88839 122.11112 21AlaH 20ArgHa 21AlaN 1.48587e+07 2.30169e+08 29.13862 71.49731 40.73948 1.00000 None parabolic box sum 464 587 7.68277 3.72126 122.07476 21AlaH 22ValHa 21AlaN 3.26694e+06 4.03046e+07 29.00600 48.72171 39.06512 1.00000 None parabolic box sum 465 589 7.68098 2.35160 122.07655 21AlaH 18GluHbb 21AlaN 3.05024e+06 5.28729e+07 49.75080 134.42743 41.14354 1.00000 None parabolic box sum 466 591 7.68296 1.58255 122.11614 21AlaH 21AlaHb* 21AlaN 1.16397e+08 1.57525e+09 29.38271 52.04440 39.95138 1.00000 None parabolic box sum 467 592 7.68491 1.31063 122.10846 21AlaH 17ThrHg2* 21AlaN 4.18783e+06 5.50412e+07 28.50980 55.20942 38.51938 1.00000 None parabolic box sum 468 593 7.68316 1.08790 122.11707 21AlaH 22ValHgb* 21AlaN 7.66758e+06 1.08098e+08 29.77073 54.29098 39.81227 1.00000 None parabolic box sum 469 594 7.68319 0.83203 122.10940 21AlaH 22ValHga* 21AlaN 5.95555e+06 1.08340e+08 29.14429 104.01606 38.51449 1.00000 None parabolic box sum 470 596 7.84938 4.48645 122.16252 43LeuH 43LeuHa 43LeuN 8.17933e+07 1.05447e+09 29.76686 50.05260 39.28024 1.00000 None parabolic box sum 471 597 7.84909 4.20841 122.15859 43LeuH (40Thr/41Glu)Ha 43LeuN 1.16536e+07 1.82030e+08 29.08528 60.99690 40.51661 1.00000 None parabolic box sum 472 600 7.84975 2.01688 122.15600 43LeuH 41GluHb2 43LeuN 3.24295e+06 4.41491e+07 29.12998 53.39180 38.10841 1.00000 None parabolic box sum 473 602 7.84913 1.64824 122.16096 43LeuH 43LeuHg 43LeuN 3.77933e+07 5.03769e+08 29.47628 52.94201 39.46489 1.00000 None parabolic box sum 474 603 7.84941 1.43923 122.15292 43LeuH 43LeuHba 43LeuN 2.61879e+07 3.58782e+08 29.24174 54.17774 39.75123 1.00000 None parabolic box sum 475 604 7.84921 0.86835 122.15332 43LeuH 43LeuHdb* 43LeuN 1.73750e+07 2.81117e+08 29.14160 92.05463 38.89024 1.00000 None parabolic box sum 476 605 8.00950 8.16435 122.26288 51AspH 52LeuH 51AspN 2.83583e+07 3.78641e+08 28.82481 46.57854 39.78670 1.00000 None parabolic box sum 477 606 8.00925 7.75001 122.24775 51AspH 53GlyH 51AspN 7.33464e+06 7.28943e+07 29.30522 34.50977 42.42021 1.00000 None parabolic box sum 478 607 8.00898 8.77532 122.25127 51AspH 50LysH 51AspN 2.42009e+07 3.45603e+08 29.62589 56.91077 39.29394 1.00000 None parabolic box sum 479 611 8.00912 4.54416 122.24697 51AspH 51AspHa 51AspN 3.74029e+07 4.83106e+08 29.35022 50.24171 40.27754 1.00000 None parabolic box sum 480 612 8.00941 4.32847 122.25026 51AspH 50LysHa 51AspN 2.37615e+07 3.60014e+08 29.32489 67.85380 40.36236 1.00000 None parabolic box sum 481 613 8.01126 4.03724 122.23524 51AspH 48SerHba 51AspN 8.77684e+06 1.23199e+08 28.15515 52.46313 41.25291 1.00000 None parabolic box sum 482 614 8.00909 2.98153 122.25067 51AspH 51AspHbb 51AspN 4.90733e+07 6.64949e+08 29.15680 55.56878 39.45595 1.00000 None parabolic box sum 483 615 8.00922 2.83473 122.24750 51AspH 51AspHba 51AspN 3.34519e+07 4.73387e+08 29.17737 58.49083 40.38113 1.00000 None parabolic box sum 484 616 8.01024 2.68541 122.20267 51AspH 49PheHba 51AspN 3.89362e+06 4.74244e+07 29.01971 41.21451 45.22312 1.00000 None parabolic box sum 485 617 8.00956 2.31182 122.23309 51AspH 47GluHga 51AspN 6.50902e+06 1.01193e+08 27.73792 69.40328 40.69257 1.00000 None parabolic box sum 486 618 8.00913 1.87571 122.24600 51AspH 50LysHba 51AspN 4.03958e+07 6.06824e+08 29.48225 75.73530 39.87294 1.00000 None parabolic box sum 487 619 8.00710 1.61845 122.22181 51AspH 50LysHgb 51AspN 5.88454e+06 8.64203e+07 31.91769 119.67173 43.50483 1.00000 None parabolic box sum 488 620 8.01042 1.50768 122.25772 51AspH 50LysHga 51AspN 4.66891e+06 7.36936e+07 25.98435 130.74460 46.06926 1.00000 None parabolic box sum 489 621 8.01002 1.00499 122.22589 51AspH 52LeuHdb* 51AspN 4.67264e+06 6.76529e+07 29.78116 55.88135 41.72450 1.00000 None parabolic box sum 490 622 8.01192 0.75889 122.26369 51AspH 52LeuHda* 51AspN 3.41108e+06 4.42269e+07 29.81067 46.60174 41.29618 1.00000 None parabolic box sum 491 623 7.54959 7.98185 118.52106 80PheH 81AspH 80PheN 6.85619e+07 9.04109e+08 30.44009 51.23319 39.30002 1.00000 None parabolic box sum 492 624 7.55027 7.11381 118.51487 80PheH 80PheHd* 80PheN 1.57336e+07 1.86958e+08 31.85391 42.14790 40.11613 1.00000 None parabolic box sum 493 625 7.54987 4.52944 118.52058 80PheH 80PheHa 80PheN 2.70885e+07 3.42227e+08 31.42238 48.16577 39.55328 1.00000 None parabolic box sum 494 626 7.55028 4.38574 118.50469 80PheH 77ThrHa 80PheN 6.87004e+06 8.69711e+07 29.70010 49.51553 38.02073 1.00000 None parabolic box sum 495 627 7.55107 4.06062 118.54191 80PheH 78LeuHa 80PheN 5.38314e+06 9.77729e+07 30.69103 83.65926 40.27510 1.00000 None parabolic box sum 496 628 7.55006 3.85272 118.52183 80PheH 79IleHa 80PheN 1.38231e+07 1.76835e+08 29.98680 48.66392 39.21789 1.00000 None parabolic box sum 497 629 7.54992 3.24895 118.51882 80PheH 80PheHbb 80PheN 2.68408e+07 3.47951e+08 30.96521 48.97806 39.45142 1.00000 None parabolic box sum 498 630 7.54981 2.88013 118.51738 80PheH 80PheHba 80PheN 3.25797e+07 4.71054e+08 31.00485 56.51593 39.73162 1.00000 None parabolic box sum 499 631 7.55061 2.34365 118.52303 80PheH 81AspHbb 80PheN 9.72054e+06 1.27177e+08 29.74331 53.77553 38.24878 1.00000 None parabolic box sum 500 632 7.55254 2.08435 118.54352 80PheH 81AspHba 80PheN 5.71683e+06 7.34310e+07 31.13449 51.16448 42.34654 1.00000 None parabolic box sum 501 633 7.55132 1.74062 118.50516 80PheH 78LeuHba 80PheN 4.61494e+06 5.93105e+07 31.16369 50.10686 40.26788 1.00000 None parabolic box sum 502 634 7.55141 1.38456 118.53157 80PheH 59AlaHb* 80PheN 4.30324e+06 6.62618e+07 28.16260 122.28356 39.70444 1.00000 None parabolic box sum 503 635 7.54929 1.29201 118.51855 80PheH 79IleHb 80PheN 9.06623e+06 1.25151e+08 30.12955 63.34137 38.89662 1.00000 None parabolic box sum 504 636 7.55124 1.13889 118.52538 80PheH 77ThrHg2* 80PheN 4.25834e+06 4.88197e+07 29.41847 45.87280 38.61493 1.00000 None parabolic box sum 505 637 7.55128 0.63396 118.52550 80PheH 79IleHg1b 80PheN 7.29312e+06 9.97232e+07 32.57453 54.08378 39.05755 1.00000 None parabolic box sum 506 638 8.19417 0.91151 123.30005 6LeuH 6LeuHdb* 6LeuN 6.06174e+06 8.39425e+07 33.89418 57.82283 38.29402 1.00000 None parabolic box sum 507 639 8.19334 1.65049 123.30377 6LeuH 6LeuHbb 6LeuN 2.56457e+07 4.16982e+08 31.85481 74.98237 39.16296 1.00000 None parabolic box sum 508 640 8.19159 1.23866 123.30917 6LeuH 5ThrHg2* 6LeuN 5.85307e+06 7.02079e+07 31.49509 48.38988 37.27958 1.00000 None parabolic box sum 509 641 8.19337 4.41428 123.30780 6LeuH 5ThrHa 6LeuN 3.28309e+07 4.63163e+08 32.02945 55.22594 39.21351 1.00000 None parabolic box sum 510 642 8.19282 4.24753 123.30578 6LeuH 6LeuHa 6LeuN 1.14939e+07 1.57304e+08 31.08770 53.45824 39.39968 1.00000 None parabolic box sum 511 643 8.31956 8.93021 121.92228 57LeuH 58ThrH 57LeuN 6.51995e+07 9.00994e+08 29.13624 56.66578 39.38693 1.00000 None parabolic box sum 512 644 8.31912 4.48009 121.91066 57LeuH 57LeuHa 57LeuN 4.73714e+07 6.38920e+08 78.27073 51.87927 40.35991 1.00000 None parabolic box sum 513 645 8.32175 4.02411 121.92090 57LeuH 56SerHa 57LeuN 2.67614e+07 3.64868e+08 30.89875 57.51694 39.64084 1.00000 None parabolic box sum 514 646 8.33835 4.19860 121.91197 41GluH 41GluHa 41GluN 3.64416e+07 5.68769e+08 29.91587 70.02764 39.10393 1.00000 None parabolic box sum 515 647 8.33381 4.78818 121.91217 44AspH 44AspHa 44AspN 2.80014e+07 4.33039e+08 33.79554 68.34604 39.95901 1.00000 None parabolic box sum 516 648 8.33868 2.26611 121.91455 41GluH 41GluHga 41GluN 1.73264e+07 2.13611e+08 28.40281 47.69043 38.83702 1.00000 None parabolic box sum 517 649 8.32743 2.03720 121.91602 57LeuH 57LeuHbb 57LeuN 9.88683e+07 1.35808e+09 33.51599 54.40854 39.21551 1.00000 None parabolic box sum 518 650 8.75766 8.21468 120.08140 50LysH 49PheH 50LysN 1.35306e+07 1.96710e+08 31.50970 60.49846 40.33875 1.00000 None parabolic box sum 519 651 8.75830 8.01298 120.09652 50LysH 51AspH 50LysN 1.71158e+07 2.34187e+08 31.28529 51.68907 42.02855 1.00000 None parabolic box sum 520 652 8.75668 6.92942 120.08759 50LysH 49PheHd* 50LysN 4.14634e+06 6.10624e+07 28.59056 56.69266 41.29207 1.00000 None parabolic box sum 521 654 8.75756 4.66552 120.08768 50LysH 48SerHa 50LysN 4.91154e+06 6.90532e+07 29.41728 153.14628 39.62827 1.00000 None parabolic box sum 522 655 8.75825 4.32344 120.08437 50LysH 50LysHa 50LysN 2.86763e+07 4.24481e+08 30.79474 63.42905 40.21060 1.00000 None parabolic box sum 523 656 8.75828 4.03960 120.07513 50LysH 48SerHba 50LysN 5.87020e+06 9.06309e+07 30.79712 58.32648 42.98747 1.00000 None parabolic box sum 524 657 8.75911 2.69462 120.09318 50LysH 49PheHbb 50LysN 1.42197e+07 2.12380e+08 30.46513 63.30520 40.26234 1.00000 None parabolic box sum 525 658 8.75840 1.98285 120.10745 50LysH 50LysHbb 50LysN 2.78072e+07 3.96989e+08 30.53188 119.92690 39.63608 1.00000 None parabolic box sum 526 659 8.75852 1.88311 120.10554 50LysH 50LysHba 50LysN 2.80404e+07 4.19965e+08 30.22254 119.57265 39.57844 1.00000 None parabolic box sum 527 660 8.75759 1.61917 120.09432 50LysH 50LysHgb 50LysN 5.13334e+06 8.64853e+07 30.59804 123.03570 38.41013 1.00000 None parabolic box sum 528 661 8.75443 1.52380 119.95423 50LysH 50LysHga 50LysN 5.66977e+06 7.88844e+07 32.47678 58.53014 51.42361 1.00000 None parabolic box sum 529 662 8.65172 8.23511 119.66005 65HisH 68ThrH 65HisN 3.90557e+06 5.62058e+07 330.37633 74.00230 46.50980 1.00000 None parabolic box sum 530 664 8.65649 7.63647 119.59448 65HisH 63ArgH 65HisN 5.67094e+06 7.82599e+07 26.83789 54.96291 42.28354 1.00000 None parabolic box sum 531 665 8.65579 7.10877 119.58572 65HisH 65HisHd2 65HisN 1.45614e+07 1.78928e+08 28.30476 46.39041 39.26861 1.00000 None parabolic box sum 532 666 8.65582 4.49809 119.58940 65HisH 65HisHa 65HisN 3.86936e+07 5.04884e+08 29.05339 50.13634 39.60872 1.00000 None parabolic box sum 533 667 8.65607 4.37307 119.59929 65HisH 64AspHa 65HisN 1.08211e+07 1.41250e+08 28.59265 137.21697 40.84420 1.00000 None parabolic box sum 534 668 8.65581 4.07169 119.59222 65HisH 62LeuHa 65HisN 1.83972e+07 2.66631e+08 29.01047 101.47736 39.40690 1.00000 None parabolic box sum 535 669 8.65601 3.56987 119.58649 65HisH 65HisHbb 65HisN 3.29267e+07 4.89290e+08 28.63824 59.14113 38.87886 1.00000 None parabolic box sum 536 670 8.65586 3.18978 119.58853 65HisH 65HisHba 65HisN 5.16750e+07 7.25102e+08 28.84984 56.62798 39.20394 1.00000 None parabolic box sum 537 671 8.65574 2.94876 119.59140 65HisH 64AspHbb 65HisN 3.14131e+07 4.23880e+08 28.82779 54.14315 39.31993 1.00000 None parabolic box sum 538 672 8.65578 2.74551 119.58880 65HisH 64AspHba 65HisN 2.25108e+07 3.13722e+08 28.48059 54.89803 39.84523 1.00000 None parabolic box sum 539 673 8.65596 2.28700 119.56924 65HisH 63ArgHbb 65HisN 3.97488e+06 6.27958e+07 34.91908 242.87688 43.27089 1.00000 None parabolic box sum 540 675 8.65503 1.84531 119.53579 65HisH 62LeuHbb 65HisN 5.94270e+06 1.02855e+08 27.49115 71.33218 44.88111 1.00000 None parabolic box sum 541 676 8.65511 1.28586 119.55345 65HisH 62LeuHg 65HisN 3.75508e+06 5.78673e+07 29.85209 65.32571 42.29277 1.00000 None parabolic box sum 542 678 8.65531 0.88050 119.58855 65HisH 62LeuHdb* 65HisN 1.47270e+07 2.04310e+08 28.70023 60.79245 40.15440 1.00000 None parabolic box sum 543 680 8.52135 1.73915 119.49718 88ValH 87AlaHb* 88ValN 4.00766e+07 5.42276e+08 30.74467 49.80805 41.18282 1.00000 None parabolic box sum 544 681 8.52136 1.31721 119.49977 88ValH 88ValHgb* 88ValN 5.91402e+07 8.29620e+08 30.39777 54.31732 40.69889 1.00000 None parabolic box sum 545 682 8.52137 0.89817 119.50259 88ValH 88ValHga* 88ValN 1.93705e+07 2.82845e+08 31.41016 55.61439 41.78160 1.00000 None parabolic box sum 546 683 8.52176 1.13129 119.49404 88ValH 27ValHgb* 88ValN 9.87346e+06 1.59830e+08 29.13803 91.18140 40.62015 1.00000 None parabolic box sum 547 684 8.52313 0.75920 119.45686 88ValH 92LeuHda* 88ValN 5.83450e+06 8.72068e+07 33.54758 153.06450 46.05246 1.00000 None parabolic box sum 548 685 8.52173 2.31811 119.50006 88ValH 88ValHb 88ValN 5.95175e+07 8.91924e+08 30.27231 58.73459 40.83169 1.00000 None parabolic box sum 549 687 8.52150 3.41751 119.49677 88ValH 88ValHa 88ValN 2.95362e+07 3.85482e+08 30.07084 47.78322 40.97837 1.00000 None parabolic box sum 550 688 8.52162 3.12042 119.49486 88ValH 82HisHbb 88ValN 5.88944e+06 9.03374e+07 29.43963 66.40693 40.09575 1.00000 None parabolic box sum 551 689 8.52115 4.20383 119.48198 88ValH 87AlaHa 88ValN 1.14024e+07 1.92561e+08 31.08382 125.58934 41.54170 1.00000 None parabolic box sum 552 690 8.52257 4.09819 119.47283 88ValH 85ProHa 88ValN 1.25915e+07 1.95849e+08 30.75570 122.48054 42.06097 1.00000 None parabolic box sum 553 691 8.52271 3.92795 119.45755 88ValH 86HisHa 88ValN 5.01765e+06 6.79304e+07 33.14316 123.12573 40.56603 1.00000 None parabolic box sum 554 692 8.52215 3.80865 119.44166 88ValH 89AlaHa 88ValN 4.28728e+06 5.86044e+07 28.33366 129.53049 36.00180 1.00000 None parabolic box sum 555 693 8.52193 6.59340 119.51422 88ValH 49PheHz 88ValN 5.74272e+06 7.88310e+07 29.29300 51.37640 40.97861 1.00000 None parabolic box sum 556 694 8.52408 7.79510 119.47422 88ValH 90GluH 88ValN 5.07791e+06 7.73755e+07 29.87713 124.72417 43.28257 1.00000 None parabolic box sum 557 695 8.52498 7.68370 119.40615 88ValH 91HisH 88ValN 4.22323e+06 6.89660e+07 40.63338 133.97341 131.72805 1.00000 None parabolic box sum 558 696 8.52086 8.22229 119.50415 88ValH 87AlaH 88ValN 3.63784e+07 5.40547e+08 31.81607 56.79626 41.74554 1.00000 None parabolic box sum 559 697 8.17382 7.62845 119.83864 37TyrH 35LeuH 37TyrN 1.15513e+07 1.66318e+08 33.94961 141.18348 46.38511 1.00000 None parabolic box sum 560 698 8.17334 7.03263 119.87609 37TyrH 37TyrHd* 37TyrN 1.60291e+07 2.01270e+08 29.08349 48.26465 39.79081 1.00000 None parabolic box sum 561 699 8.17114 4.76057 119.87598 37TyrH 37TyrHa 37TyrN 4.14435e+07 5.28946e+08 29.18512 51.87553 39.40284 1.00000 None parabolic box sum 562 700 8.17253 4.31176 119.91876 37TyrH 33SerHa 37TyrN 1.21734e+07 1.49866e+08 27.50039 48.49171 112.93834 1.00000 None parabolic box sum 563 701 8.17296 4.06944 119.87754 37TyrH 36GlyHab 37TyrN 2.03615e+07 2.98203e+08 28.20581 58.35951 41.72355 1.00000 None parabolic box sum 564 702 8.17320 3.84281 119.87226 37TyrH 36GlyHaa 37TyrN 3.21682e+07 4.61898e+08 29.50549 59.73875 39.90501 1.00000 None parabolic box sum 565 704 8.17332 2.91843 119.87474 37TyrH 37TyrHba 37TyrN 5.90408e+07 8.30802e+08 29.06859 56.16129 39.52360 1.00000 None parabolic box sum 566 705 8.17301 1.52007 119.87574 37TyrH 32AlaHb* 37TyrN 1.88329e+07 2.49337e+08 28.80335 62.66040 40.33434 1.00000 None parabolic box sum 567 706 8.17426 1.40265 119.87050 37TyrH 35LeuHbb 37TyrN 1.27623e+07 1.83702e+08 29.20806 129.51554 40.01993 1.00000 None parabolic box sum 568 707 8.17279 1.18215 119.87043 37TyrH 35LeuHba 37TyrN 7.58043e+06 1.04707e+08 29.79279 54.81901 39.97356 1.00000 None parabolic box sum 569 708 8.17219 0.88083 119.86481 37TyrH 43LeuHdb* 37TyrN 3.53071e+06 5.03726e+07 27.71586 58.07643 44.36690 1.00000 None parabolic box sum 570 709 8.17405 0.62623 119.89259 37TyrH 35LeuHdb* 37TyrN 4.48600e+06 5.80186e+07 31.38989 48.14493 42.88977 1.00000 None parabolic box sum 571 710 8.06072 8.45231 114.04166 45ThrH 46HisH 45ThrN 5.17728e+06 6.83589e+07 32.55874 50.78606 39.63435 1.00000 None parabolic box sum 572 711 8.06084 4.05753 114.03203 45ThrH 45ThrHb 45ThrN 1.21618e+07 1.49518e+08 31.14820 45.86415 40.28499 1.00000 None parabolic box sum 573 712 8.06119 3.89083 114.03753 45ThrH 45ThrHa 45ThrN 1.39084e+07 1.74306e+08 31.64053 46.24277 39.68871 1.00000 None parabolic box sum 574 713 8.06002 2.77574 114.03684 45ThrH 44AspHbb 45ThrN 5.92450e+06 6.92191e+07 29.19734 42.65981 38.75387 1.00000 None parabolic box sum 575 714 8.06207 2.63352 114.04160 45ThrH 44AspHba 45ThrN 6.98866e+06 9.30194e+07 32.61298 53.25773 38.81907 1.00000 None parabolic box sum 576 715 8.06096 1.10348 114.03203 45ThrH 45ThrHg2* 45ThrN 2.43245e+07 3.06794e+08 31.49599 47.19149 39.59835 1.00000 None parabolic box sum 577 716 8.06188 0.87393 114.02107 45ThrH 43LeuHdb* 45ThrN 3.35267e+06 4.85266e+07 28.17214 110.39565 37.59456 1.00000 None parabolic box sum 578 717 8.06010 0.79258 114.03373 45ThrH 28LeuHda* 45ThrN 3.20985e+06 5.85563e+07 30.49433 111.92980 38.68568 1.00000 None parabolic box sum 579 718 8.07055 1.24112 112.48106 5ThrH 5ThrHg2* 5ThrN 3.14339e+06 4.32025e+07 32.07684 50.29794 40.74359 1.00000 None parabolic box sum 580 719 8.07176 4.42606 112.48321 5ThrH 4AlaHa 5ThrN 9.04916e+06 1.30297e+08 34.64162 55.89118 38.74087 1.00000 None parabolic box sum 581 720 8.31552 4.48101 113.97363 42SerH 42SerHa 42SerN 5.34993e+06 7.17620e+07 33.12111 49.97672 40.32660 1.00000 None parabolic box sum 582 721 8.31454 4.18742 113.97363 42SerH 41GluHa 42SerN 7.02777e+06 9.54775e+07 35.63553 52.28266 39.61766 1.00000 None parabolic box sum 583 722 8.31749 3.83845 113.97363 42SerH 42SerHba 42SerN 6.91514e+06 9.28971e+07 36.86219 53.04384 37.65368 1.00000 None parabolic box sum 584 723 8.31158 2.02676 113.97363 42SerH 41GluHb* 42SerN 3.44674e+06 4.84926e+07 30.08991 52.35029 40.60924 1.00000 None parabolic box sum 585 724 8.31651 7.85202 113.97363 42SerH 43LeuH 42SerN 3.45745e+06 4.49454e+07 34.95574 50.94667 37.14418 1.00000 None parabolic box sum 586 725 7.71343 6.17596 118.88286 91HisH 91HisHd2 91HisN 6.42566e+06 7.90389e+07 29.24919 47.80130 38.81025 1.00000 None parabolic box sum 587 726 7.71190 8.40928 118.89123 91HisH 92LeuH 91HisN 3.33773e+07 4.51965e+08 29.05309 53.71036 40.36874 1.00000 None parabolic box sum 588 727 7.71419 8.51361 118.88717 91HisH 89AlaH 91HisN 5.32566e+06 8.79223e+07 26.79169 130.04918 51.43613 1.00000 None parabolic box sum 589 728 7.71354 3.87419 118.95832 91HisH 90GluHa 91HisN 1.25097e+07 1.84747e+08 28.00345 56.98734 89.83588 1.00000 None parabolic box sum 590 729 7.71246 4.22784 118.87540 91HisH 91HisHa 91HisN 4.91283e+07 6.44136e+08 29.34903 48.93953 40.03221 1.00000 None parabolic box sum 591 730 7.71214 3.41691 118.87694 91HisH 88ValHa 91HisN 2.32226e+07 2.91606e+08 29.02567 47.63578 39.74551 1.00000 None parabolic box sum 592 731 7.71224 3.01343 118.87752 91HisH 91HisHbb 91HisN 5.77650e+07 8.42599e+08 29.15502 58.66107 39.52509 1.00000 None parabolic box sum 593 732 7.71220 2.20794 118.88333 91HisH 90GluHgb 91HisN 7.02506e+07 9.92793e+08 29.02627 67.41777 40.56919 1.00000 None parabolic box sum 594 733 7.71201 2.10665 118.89372 91HisH 90GluHga 91HisN 3.24750e+07 5.35560e+08 27.96799 136.29066 42.92083 1.00000 None parabolic box sum 595 735 7.71222 1.05846 118.89894 91HisH 93LeuHdb* 91HisN 5.50912e+06 7.93824e+07 27.73374 58.30446 44.73305 1.00000 None parabolic box sum 596 736 7.71069 1.36312 118.87378 91HisH 89AlaHb* 91HisN 5.58420e+06 1.04784e+08 26.96037 65.11929 41.55445 1.00000 None parabolic box sum 597 737 7.61817 8.00462 116.39399 35LeuH 34ValH 35LeuN 3.53981e+07 4.68320e+08 29.89650 49.86053 39.91783 1.00000 None parabolic box sum 598 738 7.61969 7.76014 116.40456 35LeuH 36GlyH 35LeuN 2.74029e+07 2.03271e+08 29.06203 29.23441 40.49754 1.00000 None parabolic box sum 599 739 7.61781 8.18103 116.39116 35LeuH 37TyrH 35LeuN 6.47604e+06 7.62088e+07 30.19273 44.51941 39.15328 1.00000 None parabolic box sum 600 740 7.61448 4.17268 116.49751 35LeuH 31AlaHa 35LeuN 6.47913e+06 1.08186e+08 56.65302 174.10543 42.68742 1.00000 None parabolic box sum 601 741 7.61846 3.85980 116.47148 35LeuH 32AlaHa 35LeuN 1.49164e+07 1.83175e+08 48.86180 52.90820 35.96479 1.00000 None parabolic box sum 602 742 7.61868 4.01728 116.39903 35LeuH 35LeuHa 35LeuN 3.46506e+07 4.87335e+08 30.15459 53.30884 41.17727 1.00000 None parabolic box sum 603 743 7.61870 3.71979 116.40049 35LeuH 34ValHa 35LeuN 1.28937e+07 1.69375e+08 30.81053 47.27524 41.11093 1.00000 None parabolic box sum 604 744 7.61700 4.31181 116.36588 35LeuH 33SerHa 35LeuN 4.96902e+06 6.09237e+07 35.06690 53.81563 39.08437 1.00000 None parabolic box sum 605 745 7.61865 2.24865 116.41195 35LeuH 34ValHb 35LeuN 2.85030e+07 4.00078e+08 30.21687 53.74958 40.96365 1.00000 None parabolic box sum 606 746 7.61877 1.40768 116.39821 35LeuH 35LeuHbb 35LeuN 7.96418e+07 1.15762e+09 30.22969 57.10844 40.69912 1.00000 None parabolic box sum 607 747 7.61869 1.18063 116.40713 35LeuH 35LeuHba 35LeuN 2.79399e+07 4.00112e+08 30.25800 54.30159 40.92127 1.00000 None parabolic box sum 608 748 7.61874 1.00716 116.41093 35LeuH (34Val/35Leu)(Hgb*/Hg) 35LeuN 1.57202e+07 1.94247e+08 29.74540 55.32738 40.43001 1.00000 None parabolic box sum 609 749 7.61822 0.87963 116.41164 35LeuH 34ValHga* 35LeuN 1.87638e+07 2.54234e+08 30.19631 50.04906 40.88163 1.00000 None parabolic box sum 610 750 7.61883 0.62457 116.39896 35LeuH 35LeuHdb* 35LeuN 2.05080e+07 2.65743e+08 30.61235 47.93891 40.83389 1.00000 None parabolic box sum 611 751 7.61898 0.11766 116.40051 35LeuH 35LeuHda* 35LeuN 2.00937e+07 2.61971e+08 29.93613 48.87505 40.29340 1.00000 None parabolic box sum 612 752 7.56737 1.48755 116.82834 94GluH 93LeuHba 94GluN 1.63219e+07 2.25692e+08 30.04730 54.99239 39.54750 1.00000 None parabolic box sum 613 753 7.56676 2.10462 116.82660 94GluH 94GluHba 94GluN 7.83400e+07 1.20970e+09 28.96518 65.94731 39.53242 1.00000 None parabolic box sum 614 754 7.56943 1.95369 116.83364 94GluH 95GlnHga 94GluN 8.84309e+06 1.45051e+08 28.36913 275.72944 36.72171 1.00000 None parabolic box sum 615 755 7.56634 1.82766 116.82837 94GluH 93LeuHbb 94GluN 2.88471e+07 3.98302e+08 28.19866 57.29126 39.18076 1.00000 None parabolic box sum 616 756 7.56701 0.79722 116.83839 94GluH 93LeuHda* 94GluN 1.65092e+07 2.34760e+08 28.47403 61.23948 39.18135 1.00000 None parabolic box sum 617 757 7.56734 2.29840 116.81554 94GluH 94GluHga 94GluN 1.58859e+07 2.18684e+08 30.88415 56.54621 39.81209 1.00000 None parabolic box sum 618 758 7.56664 2.46334 116.83125 94GluH 94GluHgb 94GluN 2.43550e+07 3.07916e+08 28.92166 50.05810 39.38079 1.00000 None parabolic box sum 619 759 7.56699 3.88758 116.81928 94GluH 93LeuHa 94GluN 2.00525e+07 2.67025e+08 29.66672 52.52957 39.78205 1.00000 None parabolic box sum 620 760 7.56708 4.22767 116.83542 94GluH 91HisHa 94GluN 1.86871e+07 2.22883e+08 28.90795 46.32455 39.14839 1.00000 None parabolic box sum 621 761 7.56684 4.07149 116.82289 94GluH 94GluHa 94GluN 4.94473e+07 6.23637e+08 29.46824 49.04490 39.79266 1.00000 None parabolic box sum 622 762 7.56732 7.43231 116.82208 94GluH 95GlnH 94GluN 3.29397e+07 3.84795e+08 28.29880 61.68927 40.55691 1.00000 None parabolic box sum 623 763 8.00542 8.51734 116.99219 23ThrH 22ValH 23ThrN 5.85491e+07 8.49592e+08 30.00498 58.25001 39.80356 1.00000 None parabolic box sum 624 764 8.00611 7.66607 117.01413 23ThrH 21AlaH 23ThrN 1.17931e+07 1.60442e+08 31.82501 54.73398 39.49541 1.00000 None parabolic box sum 625 765 8.00541 3.81005 116.99222 23ThrH 23ThrHb 23ThrN 3.43205e+07 5.51466e+08 30.51788 85.30664 40.21984 1.00000 None parabolic box sum 626 766 8.00600 4.13487 116.98980 23ThrH 23ThrHa 23ThrN 8.54208e+07 1.32770e+09 29.99097 70.13301 39.40892 1.00000 None parabolic box sum 627 768 8.00645 1.90903 116.99420 23ThrH (25Lys/20Arg)Hb* 23ThrN 9.43479e+06 1.69300e+08 30.25591 240.33071 39.46728 1.00000 None parabolic box sum 628 769 8.00464 1.78212 116.99205 23ThrH 24ArgHba 23ThrN 1.03175e+07 1.72120e+08 34.57546 237.45703 39.96700 1.00000 None parabolic box sum 629 770 8.00347 1.57812 117.00163 23ThrH 21AlaHb* 23ThrN 8.42520e+06 1.25369e+08 32.68242 68.79229 37.55325 1.00000 None parabolic box sum 630 772 8.00539 1.23109 116.99469 23ThrH 23ThrHg2* 23ThrN 2.54056e+07 3.20053e+08 31.02958 46.22665 40.36236 1.00000 None parabolic box sum 631 773 8.00146 1.08895 117.02656 23ThrH 22ValHgb* 23ThrN 2.25181e+07 3.01551e+08 83.24057 50.31524 41.66549 1.00000 None parabolic box sum 632 775 7.93340 3.43881 117.22233 27ValH 27ValHa 27ValN 2.64761e+07 3.70826e+08 30.20823 53.73661 39.95538 1.00000 None parabolic box sum 633 776 7.93348 2.28648 117.22289 27ValH 27ValHb 27ValN 5.45550e+07 7.75490e+08 30.14624 55.64152 40.15696 1.00000 None parabolic box sum 634 777 7.93374 2.05468 117.21281 23ThrH (26Leu/22Val)Hb* 23ThrN 3.55914e+07 5.49407e+08 31.11273 62.75870 40.44235 1.00000 None parabolic box sum 635 780 7.93482 1.39866 117.20530 27ValH 89AlaHb* 27ValN 5.59777e+06 8.14705e+07 31.88938 66.76353 40.76064 1.00000 None parabolic box sum 636 781 7.93358 1.09002 117.21975 27ValH 27ValHga* 27ValN 7.52024e+07 1.11620e+09 30.65586 58.49122 39.84076 1.00000 None parabolic box sum 637 782 7.93396 0.91609 117.21109 27ValH 26LeuHdb* 27ValN 1.26067e+07 1.40235e+08 31.17055 57.55430 40.18146 1.00000 None parabolic box sum 638 783 7.93347 0.76588 117.21263 27ValH 26LeuHda* 27ValN 2.52557e+07 3.60498e+08 31.55977 58.13619 40.14963 1.00000 None parabolic box sum 639 784 7.93272 4.33085 117.21223 27ValH 26LeuHa 27ValN 1.10712e+07 1.38204e+08 27.65357 48.83691 38.61457 1.00000 None parabolic box sum 640 787 7.93373 8.35875 117.22561 27ValH 28LeuH 27ValN 3.27035e+07 4.16411e+08 30.38406 47.68974 39.98953 1.00000 None parabolic box sum 641 788 7.93500 9.24280 117.22262 27ValH 29AspH 27ValN 3.95563e+06 5.18552e+07 28.98812 51.82870 39.63643 1.00000 None parabolic box sum 642 789 8.21455 8.77489 119.08692 49PheH 50LysH 49PheN 2.02164e+07 2.79198e+08 29.69027 54.61181 39.77901 1.00000 None parabolic box sum 643 790 8.21515 6.92555 119.09392 49PheH 49PheHd* 49PheN 3.21638e+07 4.72064e+08 29.60563 57.21735 40.12030 1.00000 None parabolic box sum 644 791 8.20887 7.38079 119.09545 49PheH 54PheHd* 49PheN 4.93242e+06 8.21673e+07 119.46678 63.94017 45.41147 1.00000 None parabolic box sum 645 792 8.21512 4.65889 119.09345 49PheH 48SerHa 49PheN 8.43668e+07 1.08265e+09 29.06442 49.41605 39.53665 1.00000 None parabolic box sum 646 793 8.21379 4.37395 119.09172 49PheH 48SerHbb 49PheN 3.68078e+07 6.78876e+08 89.53959 146.01535 41.75979 1.00000 None parabolic box sum 647 794 8.21486 4.03496 119.10107 49PheH 48SerHba 49PheN 1.88964e+07 2.58761e+08 29.03134 53.59821 41.27210 1.00000 None parabolic box sum 648 795 8.21460 3.80622 119.10454 49PheH 85ProHdb 49PheN 6.56429e+06 1.03010e+08 30.65228 59.78554 63.03692 1.00000 None parabolic box sum 649 797 8.21518 2.52863 119.09058 49PheH 85ProHda 49PheN 7.57971e+06 9.75853e+07 26.09342 61.52453 40.52395 1.00000 None parabolic box sum 650 798 8.21463 1.29834 119.09680 49PheH 79IleHb 49PheN 5.04886e+06 7.69438e+07 111.87941 59.55868 42.24145 1.00000 None parabolic box sum 651 800 8.21173 0.76227 119.09514 49PheH 52LeuHda* 49PheN 8.99807e+06 1.16613e+08 91.59178 50.67066 42.77408 1.00000 None parabolic box sum 652 801 7.98089 1.53641 119.05868 69AlaH 69AlaHb* 69AlaN 1.14237e+08 1.47841e+09 29.17618 50.17566 39.46918 1.00000 None parabolic box sum 653 802 7.98111 1.27082 119.06708 69AlaH 68ThrHg2* 69AlaN 2.96343e+07 3.94972e+08 29.30373 50.12966 41.43310 1.00000 None parabolic box sum 654 803 7.97979 0.91900 119.05150 69AlaH 66LeuHba 69AlaN 5.99575e+06 7.77841e+07 29.11001 62.88176 42.44387 1.00000 None parabolic box sum 655 804 7.98153 0.77618 119.06609 69AlaH 26LeuHda* 69AlaN 1.15061e+07 1.75050e+08 30.29585 61.77773 39.07412 1.00000 None parabolic box sum 656 805 7.98174 4.13902 119.18180 69AlaH (67Gln/66Leu)Ha 69AlaN 2.38428e+07 3.50560e+08 28.78934 48.06001 72.38573 1.00000 None parabolic box sum 657 806 7.98132 3.95361 119.05054 69AlaH 68ThrHa 69AlaN 1.48053e+07 2.15078e+08 28.81825 52.84883 38.06782 1.00000 None parabolic box sum 658 807 7.98088 4.30835 119.05826 69AlaH 69AlaHa 69AlaN 8.25550e+07 1.18474e+09 29.27184 57.40410 39.51901 1.00000 None parabolic box sum 659 808 7.98144 4.49829 119.23120 69AlaH 65HisHa 69AlaN 9.92163e+06 1.41870e+08 27.82702 43.29792 71.65766 1.00000 None parabolic box sum 660 809 7.98075 7.62555 119.20266 69AlaH 70ThrH 69AlaN 3.90763e+07 6.79549e+08 29.69295 47.79540 68.39782 1.00000 None parabolic box sum 661 810 7.98069 8.26410 119.05532 69AlaH 68ThrH 69AlaN 3.72964e+07 4.80269e+08 28.67997 50.03284 37.22161 1.00000 None parabolic box sum 662 812 7.97686 7.11332 119.65029 81AspH 80PheHd* 81AspN 6.60321e+06 8.37746e+07 32.16594 45.18849 42.16689 1.00000 None parabolic box sum 663 813 7.97731 6.68363 119.67168 81AspH 82HisHd2 81AspN 8.41875e+06 1.03652e+08 29.52456 45.29405 40.25841 1.00000 None parabolic box sum 664 815 7.97731 3.24777 119.67888 81AspH 80PheHbb 81AspN 2.04927e+07 2.74753e+08 29.79249 50.52873 40.65984 1.00000 None parabolic box sum 665 816 7.97678 2.88162 119.68082 81AspH 80PheHba 81AspN 2.42423e+07 3.61223e+08 30.41893 57.23150 41.91369 1.00000 None parabolic box sum 666 817 7.97742 2.34384 119.67918 81AspH 81AspHbb 81AspN 4.55270e+07 6.34790e+08 29.58566 55.90062 40.30293 1.00000 None parabolic box sum 667 818 7.97753 2.07455 119.67227 81AspH 81AspHba 81AspN 3.01062e+07 4.17510e+08 29.89888 55.44022 40.59863 1.00000 None parabolic box sum 668 820 8.43269 1.01114 117.87319 62LeuH 34ValHgb* 62LeuN 1.86030e+07 2.68623e+08 29.68013 139.14508 42.21153 1.00000 None parabolic box sum 669 821 8.43176 0.88120 117.89260 62LeuH (62Leu/34Val)(Hdb*/Hga*) 62LeuN 3.13057e+07 4.40330e+08 29.07723 52.90702 43.82324 1.00000 None parabolic box sum 670 822 8.43148 1.49014 117.87645 62LeuH 62LeuHba 62LeuN 4.62182e+07 6.65564e+08 29.53231 58.76487 39.66218 1.00000 None parabolic box sum 671 823 8.43195 1.28053 117.86743 62LeuH 62LeuHg 62LeuN 1.40270e+07 2.05882e+08 29.15025 64.11042 41.16875 1.00000 None parabolic box sum 672 825 8.43345 2.18603 117.83501 62LeuH 61GluHga 62LeuN 2.74512e+07 5.11207e+08 27.09210 134.91378 80.85620 1.00000 None parabolic box sum 673 826 8.43146 1.80008 117.88098 62LeuH 62LeuHbb 62LeuN 4.87850e+07 7.15677e+08 29.61844 58.21757 40.95650 1.00000 None parabolic box sum 674 827 8.43404 3.86889 117.86453 62LeuH 59AlaHa 62LeuN 1.45486e+07 2.36096e+08 30.14565 56.93859 49.84683 1.00000 None parabolic box sum 675 828 8.43247 4.08187 117.87824 62LeuH 62LeuHa 62LeuN 3.63013e+07 5.80229e+08 30.33727 93.42444 40.46178 1.00000 None parabolic box sum 676 829 8.43127 7.21749 117.88075 62LeuH 60LeuH 62LeuN 1.42093e+07 2.01705e+08 30.30807 55.08184 39.99716 1.00000 None parabolic box sum 677 830 8.43168 7.63805 117.88169 62LeuH 63ArgH 62LeuN 6.42555e+07 9.08832e+08 29.18839 52.51463 43.31374 1.00000 None parabolic box sum 678 831 8.44918 7.48770 117.71233 46HisH 47GluH 46HisN 1.34663e+07 1.68196e+08 34.00415 50.95178 41.26543 1.00000 None parabolic box sum 679 832 8.45091 4.62716 117.70699 46HisH 46HisHa 46HisN 1.05919e+07 1.32866e+08 33.65070 46.63870 39.93791 1.00000 None parabolic box sum 680 833 8.45071 3.27252 117.71265 46HisH 46HisHbb 46HisN 9.67981e+06 1.40876e+08 34.93100 57.67264 40.02649 1.00000 None parabolic box sum 681 834 8.44864 2.93911 117.72055 46HisH 46HisHba 46HisN 1.47437e+07 2.16303e+08 34.14094 55.30418 41.37611 1.00000 None parabolic box sum 682 835 8.48683 3.84912 118.38095 22ValH 19GlnHa 22ValN 1.70175e+07 2.21894e+08 31.15445 46.56203 41.67753 1.00000 None parabolic box sum 683 836 8.48684 3.71545 118.38644 22ValH 22ValHa 22ValN 4.10955e+07 5.29706e+08 29.69593 49.60871 39.52062 1.00000 None parabolic box sum 684 838 8.48687 1.58301 118.41216 22ValH 21AlaHb* 22ValN 5.71467e+07 8.04420e+08 29.75553 52.95380 42.78201 1.00000 None parabolic box sum 685 839 8.48679 1.08923 118.38527 22ValH 22ValHgb* 22ValN 7.80468e+07 1.01953e+09 29.87355 51.28991 39.57331 1.00000 None parabolic box sum 686 840 8.48677 0.87445 118.40593 22ValH 22ValHga* 22ValN 3.61296e+07 5.60811e+08 31.05938 63.43967 45.45027 1.00000 None parabolic box sum 687 842 8.48608 4.13427 118.37513 22ValH 21AlaHa 22ValN 2.58608e+07 4.29251e+08 33.02902 70.34689 41.91023 1.00000 None parabolic box sum 688 843 8.48727 8.00832 118.39119 22ValH 23ThrH 22ValN 4.01992e+07 5.53782e+08 29.99693 54.74794 40.18456 1.00000 None parabolic box sum 689 844 8.48546 7.68298 118.37170 22ValH 21AlaH 22ValN 3.90421e+07 5.72286e+08 33.06448 55.23351 43.50877 1.00000 None parabolic box sum 690 845 8.35340 7.93644 119.33647 28LeuH 27ValH 28LeuN 3.75000e+07 4.87110e+08 30.79802 50.96259 40.10880 1.00000 None parabolic box sum 691 846 8.28554 7.97255 119.16300 7LeuH 8ThrH 7LeuN 2.97550e+07 4.05665e+08 34.38383 50.33716 42.28789 1.00000 None parabolic box sum 692 848 8.28552 4.48245 119.15223 7LeuH 4AlaHa 7LeuN 1.57301e+07 2.39562e+08 76.28173 112.13976 40.24923 1.00000 None parabolic box sum 693 849 8.28377 4.41445 119.13000 7LeuH {*}H* 7LeuN 1.49705e+07 2.53445e+08 138.27562 116.09427 40.53891 1.00000 None parabolic box sum 694 851 8.28616 1.82810 119.15071 7LeuH 7LeuHbb 7LeuN 4.39345e+07 5.96751e+08 33.65874 53.35327 40.43466 1.00000 None parabolic box sum 695 852 8.28614 1.56135 119.15232 7LeuH 7LeuHba 7LeuN 5.86164e+07 9.97573e+08 30.45291 88.35843 40.13485 1.00000 None parabolic box sum 696 853 8.28609 1.26940 119.15485 7LeuH {*}Hg2* 7LeuN 1.38437e+07 2.09246e+08 31.35443 62.96629 41.64404 1.00000 None parabolic box sum 697 854 8.28634 0.89237 119.15457 7LeuH (7Leu/6Leu)(Hd*/Hda*) 7LeuN 2.92651e+07 4.67934e+08 31.25519 74.11543 40.01206 1.00000 None parabolic box sum 698 855 8.35418 1.11603 119.34246 28LeuH 27ValHga* 28LeuN 2.47092e+07 4.03780e+08 29.13356 73.20799 39.76583 1.00000 None parabolic box sum 699 856 8.35349 0.88306 119.32710 28LeuH {*}Hdb* 28LeuN 2.45783e+07 3.71502e+08 34.64460 118.74660 40.32624 1.00000 None parabolic box sum 700 857 8.35392 0.78277 119.33182 28LeuH 28LeuHda* 28LeuN 2.16543e+07 3.98773e+08 31.15207 123.05654 40.94690 1.00000 None parabolic box sum 701 858 8.35396 1.29546 119.35888 28LeuH 40ThrHg2* 28LeuN 6.54083e+06 1.03112e+08 75.10334 64.48118 41.41963 1.00000 None parabolic box sum 702 860 8.35416 1.97005 119.33936 28LeuH 28LeuHbb 28LeuN 5.39678e+07 7.54745e+08 29.72126 58.09726 39.90179 1.00000 None parabolic box sum 703 862 8.35312 1.57711 119.32813 28LeuH 28LeuHba 28LeuN 3.79230e+07 5.56825e+08 72.36153 62.35570 40.41666 1.00000 None parabolic box sum 704 863 8.35345 3.73752 119.32948 28LeuH 24ArgHa 28LeuN 6.37677e+06 8.57956e+07 28.67311 56.71448 38.94639 1.00000 None parabolic box sum 705 864 8.35434 3.43800 119.34182 28LeuH 27ValHa 28LeuN 1.08042e+07 1.47328e+08 30.47407 53.17083 39.85685 1.00000 None parabolic box sum 706 865 8.35360 2.96246 119.33086 28LeuH 29AspHbb 28LeuN 4.12821e+06 6.21141e+07 29.93286 61.45612 40.79592 1.00000 None parabolic box sum 707 866 8.35168 4.34372 119.32650 28LeuH 26LeuHa 28LeuN 7.47762e+06 1.15054e+08 188.19839 61.13176 43.30903 1.00000 None parabolic box sum 708 867 8.35419 3.98460 119.33905 28LeuH 28LeuHa 28LeuN 5.42442e+07 7.10918e+08 29.53053 50.90853 40.05599 1.00000 None parabolic box sum 709 868 8.35252 7.77268 119.35044 28LeuH 26LeuH 28LeuN 6.45253e+06 1.26164e+08 240.56703 109.91785 51.14585 1.00000 None parabolic box sum 710 869 8.15287 2.31268 118.87253 52LeuH 52LeuHbb 52LeuN 4.60341e+07 6.57396e+08 32.26072 56.80727 40.42774 1.00000 None parabolic box sum 711 870 8.15279 1.83862 118.87540 52LeuH 52LeuHba 52LeuN 7.20278e+07 1.03138e+09 31.82322 57.49611 40.06904 1.00000 None parabolic box sum 712 872 8.15292 2.98339 118.86014 52LeuH 51AspHbb 52LeuN 1.54184e+07 1.90580e+08 30.07829 53.61315 38.77020 1.00000 None parabolic box sum 713 873 8.15383 0.99536 118.87302 52LeuH 52LeuHdb* 52LeuN 1.81663e+07 2.44871e+08 66.27470 54.38377 38.84989 1.00000 None parabolic box sum 714 874 8.15338 0.76219 118.88203 52LeuH 52LeuHda* 52LeuN 2.28521e+07 2.96593e+08 32.46158 49.38028 40.34275 1.00000 None parabolic box sum 715 875 8.15572 3.81244 118.83015 52LeuH 53GlyHaa 52LeuN 6.18465e+06 8.55874e+07 100.76642 52.07664 166.19092 1.00000 None parabolic box sum 716 876 8.10985 4.32671 119.11320 54PheH (52Leu/50Lys)Ha 54PheN 3.15280e+07 4.84796e+08 95.68691 75.71249 38.22923 1.00000 None parabolic box sum 717 877 8.15271 4.54246 118.86646 52LeuH 51AspHa 52LeuN 1.30391e+07 1.75085e+08 31.73172 54.56345 39.73401 1.00000 None parabolic box sum 718 878 8.15345 4.32984 118.88761 52LeuH 52LeuHa 52LeuN 4.54116e+07 7.44615e+08 38.55467 68.41996 45.70532 1.00000 None parabolic box sum 719 879 8.14942 7.74253 118.88495 52LeuH 53GlyH 52LeuN 3.80052e+07 5.30070e+08 59.74740 53.11795 43.36321 1.00000 None parabolic box sum 720 880 8.15274 8.01081 118.85796 52LeuH 51AspH 52LeuN 4.67001e+07 5.47177e+08 31.72994 39.69294 38.62619 1.00000 None parabolic box sum 721 881 8.15749 8.77331 118.89250 52LeuH 50LysH 52LeuN 5.58956e+06 7.95089e+07 76.29663 57.28232 37.41622 1.00000 None parabolic box sum 722 882 7.98049 8.88074 119.05797 69AlaH 67GlnH 69AlaN 3.90785e+06 4.89780e+07 28.52082 50.53005 35.78860 1.00000 None parabolic box sum 723 883 7.98054 8.60470 119.07473 69AlaH 71GlyH 69AlaN 7.81913e+06 9.41889e+07 27.84610 49.14850 38.37520 1.00000 None parabolic box sum 724 884 7.76864 2.04870 119.55090 26LeuH 26LeuHbb 26LeuN 6.71825e+07 1.08772e+09 29.39373 76.25507 40.50899 1.00000 None parabolic box sum 725 885 7.76889 1.73620 119.55424 26LeuH 26LeuHba 26LeuN 6.43109e+07 9.13113e+08 29.07693 59.68607 40.45069 1.00000 None parabolic box sum 726 887 7.76808 1.08903 119.55581 26LeuH 22ValHgb* 26LeuN 1.13197e+07 1.58722e+08 29.19912 53.12247 40.47579 1.00000 None parabolic box sum 727 888 7.76789 0.91063 119.55205 26LeuH 26LeuHdb* 26LeuN 1.70363e+07 2.50209e+08 30.67553 137.64631 40.83174 1.00000 None parabolic box sum 728 889 7.76764 0.77534 119.55175 26LeuH 26LeuHda* 26LeuN 1.71071e+07 2.57336e+08 73.20940 137.50320 41.07183 1.00000 None parabolic box sum 729 890 7.76833 4.32922 119.55438 26LeuH 26LeuHa 26LeuN 4.06357e+07 5.34671e+08 29.65838 50.33489 40.66539 1.00000 None parabolic box sum 730 891 7.76871 3.97794 119.55185 26LeuH 25LysHa 26LeuN 1.52954e+07 1.95041e+08 28.48774 45.99232 41.67789 1.00000 None parabolic box sum 731 892 7.76903 3.80122 119.55085 26LeuH 23ThrHb 26LeuN 2.48179e+07 3.59851e+08 28.93478 65.50028 40.40110 1.00000 None parabolic box sum 732 893 7.76929 7.93668 119.57431 26LeuH 27ValH 26LeuN 3.57981e+07 2.90770e+08 28.71633 35.39598 41.45938 1.00000 None parabolic box sum 733 894 7.76658 8.36497 119.47127 26LeuH 28LeuH 26LeuN 5.05369e+06 8.12887e+07 47.53292 60.59183 42.61667 1.00000 None parabolic box sum 734 895 7.70126 8.60150 119.61570 72LeuH 71GlyH 72LeuN 3.97541e+07 5.32369e+08 30.44188 52.67436 39.45178 1.00000 None parabolic box sum 735 896 7.70149 4.44962 119.61182 72LeuH 72LeuHa 72LeuN 3.60908e+07 4.90530e+08 30.92796 55.53497 39.18445 1.00000 None parabolic box sum 736 897 7.70327 4.31677 119.60461 72LeuH 71GlyHab 72LeuN 1.73776e+07 2.15650e+08 76.49153 47.16043 36.01176 1.00000 None parabolic box sum 737 898 7.69849 4.14765 119.58274 72LeuH 70ThrHb 72LeuN 4.11493e+07 5.97021e+08 75.61624 54.70263 40.70985 1.00000 None parabolic box sum 738 899 7.70104 3.87656 119.58343 72LeuH 71GlyHaa 72LeuN 1.62963e+07 2.52663e+08 31.22389 57.49689 77.70890 1.00000 None parabolic box sum 739 902 7.70145 0.81431 119.60401 72LeuH (74Leu/72Leu)Hda* 72LeuN 4.16278e+07 6.62872e+08 32.38708 72.50343 41.02367 1.00000 None parabolic box sum 740 905 7.63153 0.24104 119.49192 63ArgH 62LeuHda* 63ArgN 8.47404e+06 1.10144e+08 29.51145 48.08085 40.54129 1.00000 None parabolic box sum 741 906 7.62862 2.28736 119.51746 63ArgH 63ArgHbb 63ArgN 3.94405e+07 6.02200e+08 29.13147 344.15216 39.93553 1.00000 None parabolic box sum 742 907 7.63260 1.48784 119.50795 63ArgH 62LeuHba 63ArgN 1.90896e+07 3.14269e+08 106.45956 187.74334 39.13796 1.00000 None parabolic box sum 743 908 7.63056 1.36202 119.49754 63ArgH None 63ArgN 1.60873e+07 3.01474e+08 29.25009 196.10018 40.30657 1.00000 None parabolic box sum 744 909 7.64035 2.18649 119.43391 61GluH 61GluHga 61GluN 6.92889e+07 1.07264e+09 29.16008 74.43508 39.65116 1.00000 None parabolic box sum 745 910 7.63285 2.04296 119.48330 63ArgH 63ArgHba 63ArgN 7.97430e+07 1.23197e+09 30.71666 86.50385 40.36498 1.00000 None parabolic box sum 746 911 7.64088 1.92862 119.42809 61GluH 60LeuHbb 61GluN 4.70185e+07 8.10395e+08 30.10720 327.99284 39.55966 1.00000 None parabolic box sum 747 912 7.63186 1.80704 119.49223 63ArgH 62LeuHbb 63ArgN 2.82097e+07 4.69965e+08 30.12240 358.65780 41.23622 1.00000 None parabolic box sum 748 913 7.63538 1.27735 119.48208 63ArgH 62LeuHg 63ArgN 1.58038e+07 2.68391e+08 76.34729 201.36671 39.93893 1.00000 None parabolic box sum 749 914 7.64058 2.42845 119.43558 61GluH 61GluHgb 61GluN 2.80280e+07 3.29095e+08 28.65314 43.06281 39.06119 1.00000 None parabolic box sum 750 915 7.22043 -0.00557 119.47829 60LeuH 79IleHd1* 60LeuN 1.95139e+06 2.34816e+07 26.21561 46.10005 43.16777 1.00000 None parabolic box sum 751 916 7.21511 2.42770 119.47566 60LeuH 61GluHgb 60LeuN 2.56206e+06 2.67874e+07 28.66030 38.94474 38.41221 1.00000 None parabolic box sum 752 917 8.44688 0.89150 107.89596 98GlyH 96IleHg2* 98GlyN 2.03728e+06 2.96545e+07 35.80689 54.50290 42.71495 1.00000 None parabolic box sum 753 918 7.57276 3.24473 108.68377 79IleH 80PheHbb 79IleN 2.03869e+06 2.94700e+07 39.21092 59.49381 46.69034 1.00000 None parabolic box sum 754 919 7.57375 2.87764 108.63889 79IleH 80PheHba 79IleN 2.52139e+06 3.59624e+07 31.87060 58.40394 43.99276 1.00000 None parabolic box sum 755 920 7.57367 2.69846 108.64036 79IleH 49PheHbb 79IleN 2.25533e+06 3.79491e+07 33.00637 70.52736 42.62173 1.00000 None parabolic box sum 756 921 7.57330 2.31913 108.61840 79IleH 82HisHba 79IleN 2.05470e+06 3.35596e+07 28.12862 84.64415 40.18438 1.00000 None parabolic box sum 757 922 7.30438 2.87442 109.57918 84ThrH 86HisHbb 84ThrN 1.86284e+06 2.24179e+07 28.52798 49.47464 39.36327 1.00000 None parabolic box sum 758 923 7.31104 2.69335 109.59906 84ThrH 86HisHba 84ThrN 2.13746e+06 2.06341e+07 26.44300 38.68407 36.86070 1.00000 None parabolic box sum 759 924 7.30731 6.98806 109.58487 84ThrH 49PheHe* 84ThrN 1.41166e+07 2.16215e+08 29.03938 87.59155 39.63387 1.00000 None parabolic box sum 760 925 7.61991 2.59955 101.56832 70ThrH 67GlnHga 70ThrN 2.18112e+06 3.86344e+07 33.60480 97.42495 42.33003 1.00000 None parabolic box sum 761 926 7.62008 2.28701 101.53560 70ThrH 67GlnHba 70ThrN 1.86971e+06 2.41606e+07 27.60142 53.70987 43.01703 1.00000 None parabolic box sum 762 927 7.61855 2.01527 101.54121 70ThrH 66LeuHbb 70ThrN 2.42078e+06 3.97362e+07 33.73176 69.27039 49.29948 1.00000 None parabolic box sum 763 930 7.73699 0.62358 102.82694 53GlyH 35LeuHdb* 53GlyN 2.74817e+06 3.22677e+07 30.53874 44.58595 36.78179 1.00000 None parabolic box sum 764 931 7.73720 1.64559 102.83616 53GlyH None 53GlyN 1.46641e+06 1.90872e+07 23.13972 61.68534 43.27035 1.00000 None parabolic box sum 765 932 7.73481 2.00940 102.78017 53GlyH 50LysHbb 53GlyN 1.83302e+06 2.55724e+07 28.59533 65.21090 39.14475 1.00000 None parabolic box sum 766 934 7.73715 2.98565 102.81533 53GlyH 51AspHbb 53GlyN 2.54415e+06 2.89043e+07 32.61924 42.07634 41.85212 1.00000 None parabolic box sum 767 936 7.74178 8.77226 102.78781 53GlyH 50LysH 53GlyN 1.57924e+06 2.69392e+07 51.71239 62.98959 41.97073 1.00000 None parabolic box sum 768 937 8.77578 9.12207 111.71154 15ThrH 19GlnH 15ThrN 4.29947e+06 2.66185e+07 29.70070 28.64784 38.93757 1.00000 None parabolic box sum 769 938 8.77918 3.84223 111.68171 15ThrH 19GlnHa 15ThrN 2.08281e+06 2.63030e+07 28.09376 48.17285 44.60931 1.00000 None parabolic box sum 770 939 8.59251 2.27786 111.28159 71GlyH 67GlnHba 71GlyN 1.48104e+06 1.77559e+07 29.99932 49.91302 36.66890 1.00000 None parabolic box sum 771 940 8.59482 2.57119 111.18254 71GlyH 67GlnHga 71GlyN 1.59431e+06 2.66317e+07 28.80692 91.56749 36.04472 1.00000 None parabolic box sum 772 941 8.59302 7.98084 111.25082 71GlyH 69AlaH 71GlyN 8.14726e+06 9.75601e+07 35.17926 47.00897 40.41910 1.00000 None parabolic box sum 773 942 8.17666 7.55680 111.31119 17ThrH 18GluH 17ThrN 7.76928e+06 1.06420e+08 30.94524 55.17738 40.16125 1.00000 None parabolic box sum 774 943 8.17393 4.40548 111.33249 17ThrH 15ThrHa 17ThrN 1.72681e+06 1.81237e+07 28.52440 37.55134 39.79170 1.00000 None parabolic box sum 775 944 8.17582 4.11483 111.33122 17ThrH 17ThrHb 17ThrN 1.65179e+07 2.24076e+08 32.50748 54.07631 38.99407 1.00000 None parabolic box sum 776 945 8.17587 3.97891 111.32646 17ThrH 17ThrHa 17ThrN 1.22412e+07 1.44887e+08 31.23432 41.93834 39.48796 1.00000 None parabolic box sum 777 946 8.18127 2.35020 111.37607 17ThrH 18GluHgb 17ThrN 1.53141e+06 2.73960e+07 32.96375 99.02358 36.15654 1.00000 None parabolic box sum 778 947 8.18756 2.08521 111.44400 17ThrH 18GluHba 17ThrN 1.34044e+06 1.58179e+07 47.92660 54.12427 33.44083 1.00000 None parabolic box sum 779 948 8.17515 1.52962 111.32772 17ThrH 16AlaHb* 17ThrN 1.38489e+07 1.79461e+08 32.82875 48.83967 39.04772 1.00000 None parabolic box sum 780 949 8.17567 1.30742 111.31125 17ThrH 17ThrHg2* 17ThrN 7.02304e+06 9.01099e+07 31.86047 48.72761 40.34209 1.00000 None parabolic box sum 781 950 7.97045 0.89160 111.38708 8ThrH (7Leu/6Leu)(Hd*/Hdb*) 8ThrN 1.53372e+07 2.43130e+08 30.60818 77.75383 39.67416 1.00000 None parabolic box sum 782 951 7.97045 0.75651 111.38737 8ThrH 11LeuHda* 8ThrN 8.50394e+06 1.40982e+08 28.48387 159.94853 41.33308 1.00000 None parabolic box sum 783 952 7.97029 1.82847 111.38641 8ThrH 7LeuHbb 8ThrN 2.34913e+07 3.27962e+08 29.38986 56.79036 40.09020 1.00000 None parabolic box sum 784 953 7.97113 1.55448 111.38636 8ThrH 7LeuHba 8ThrN 2.04807e+07 3.52301e+08 28.72080 94.71247 38.91683 1.00000 None parabolic box sum 785 955 7.95128 3.32703 111.17021 39SerH 37TyrHbb 39SerN 3.71406e+06 5.20795e+07 30.86776 56.71606 38.05196 1.00000 None parabolic box sum 786 956 7.95746 2.93221 111.22156 39SerH 37TyrHba 39SerN 2.22387e+06 3.18294e+07 36.06379 58.82817 37.53483 1.00000 None parabolic box sum 787 957 7.97023 3.71823 111.39046 8ThrH 8ThrHa 8ThrN 3.49169e+07 4.26444e+08 29.32012 45.13443 39.74974 1.00000 None parabolic box sum 788 958 7.96711 4.01281 111.29369 39SerH 39SerHbb 39SerN 4.18799e+06 5.98670e+07 36.99720 52.82681 42.88459 1.00000 None parabolic box sum 789 959 7.96951 4.41422 111.38446 8ThrH 5ThrHa 8ThrN 9.22067e+06 1.30024e+08 28.82659 60.92849 39.49404 1.00000 None parabolic box sum 790 960 7.97040 4.26097 111.38850 8ThrH 8ThrHb 8ThrN 4.50342e+07 6.64301e+08 29.32161 63.06065 39.75809 1.00000 None parabolic box sum 791 961 7.95290 3.85134 111.18140 39SerH 39SerHba 39SerN 5.27759e+06 5.04397e+07 32.59271 35.93974 37.91177 1.00000 None parabolic box sum 792 962 7.97011 8.29703 111.38351 8ThrH 7LeuH 8ThrN 2.28283e+07 2.93998e+08 29.41757 54.10098 40.17377 1.00000 None parabolic box sum 793 963 7.83864 1.14053 110.75415 77ThrH 77ThrHg2* 77ThrN 4.49082e+07 5.87272e+08 30.63500 48.49014 40.72464 1.00000 None parabolic box sum 794 965 7.84154 1.74581 110.79023 77ThrH 78LeuHba 77ThrN 4.55795e+06 6.24872e+07 29.15353 52.52486 40.57705 1.00000 None parabolic box sum 795 966 7.84326 1.39217 110.83550 77ThrH 59AlaHb* 77ThrN 1.73005e+06 1.79154e+07 29.50072 40.23827 40.02571 1.00000 None parabolic box sum 796 967 7.83919 2.10704 110.73796 77ThrH 78LeuHbb 77ThrN 4.76818e+06 7.57940e+07 30.09498 61.14905 40.59827 1.00000 None parabolic box sum 797 968 7.83841 4.39343 110.75309 77ThrH 77ThrHa 77ThrN 3.39241e+07 4.53555e+08 30.40195 51.16842 40.20119 1.00000 None parabolic box sum 798 969 7.83861 4.01257 110.75875 77ThrH 76SerHa 77ThrN 2.73330e+07 4.31331e+08 30.54261 67.08672 41.19277 1.00000 None parabolic box sum 799 970 7.83903 3.70565 110.74479 77ThrH 75SerHba 77ThrN 1.43962e+07 1.93962e+08 30.17277 51.82934 40.85922 1.00000 None parabolic box sum 800 971 7.83891 7.32696 110.76417 77ThrH 78LeuH 77ThrN 3.75711e+07 4.99581e+08 30.61533 49.25623 40.78567 1.00000 None parabolic box sum 801 972 7.66696 8.87733 111.49884 33SerH 31AlaH 33SerN 4.85038e+06 3.67102e+07 28.83077 30.23876 38.66124 1.00000 None parabolic box sum 802 973 7.66593 8.74094 111.51712 33SerH 32AlaH 33SerN 3.89857e+07 4.96681e+08 28.71424 46.85032 40.43913 1.00000 None parabolic box sum 803 974 7.66614 8.00687 111.52011 33SerH 34ValH 33SerN 3.72050e+07 4.46368e+08 28.51993 45.35588 40.60853 1.00000 None parabolic box sum 804 975 7.66585 4.30882 111.51167 33SerH 33SerHa 33SerN 4.56095e+07 6.15109e+08 28.77980 51.41454 39.94560 1.00000 None parabolic box sum 805 976 7.66600 4.05535 111.51503 33SerH 33SerHba 33SerN 1.07251e+08 1.52850e+09 28.92405 55.39343 40.14289 1.00000 None parabolic box sum 806 977 7.66623 3.87667 111.51082 33SerH 32AlaHa 33SerN 1.38495e+07 1.56909e+08 28.53990 49.24109 40.30907 1.00000 None parabolic box sum 807 978 7.66627 3.71645 111.52631 33SerH 34ValHa 33SerN 4.13088e+06 3.78290e+07 28.61142 32.20422 41.60821 1.00000 None parabolic box sum 808 979 7.66666 3.34099 111.47980 33SerH 37TyrHbb 33SerN 1.70039e+06 2.09994e+07 28.58371 51.20066 38.18774 1.00000 None parabolic box sum 809 981 7.66594 2.93696 111.48730 33SerH 37TyrHba 33SerN 3.23261e+06 4.44704e+07 30.24936 56.62995 39.85751 1.00000 None parabolic box sum 810 982 7.66328 2.60493 111.45896 33SerH 29AspHba 33SerN 1.58267e+06 2.01932e+07 35.70348 47.43329 39.84892 1.00000 None parabolic box sum 811 983 7.66720 2.25172 111.50213 33SerH 34ValHb 33SerN 5.34147e+06 6.72310e+07 26.32946 49.65982 39.07037 1.00000 None parabolic box sum 812 984 7.66717 2.04606 111.53123 33SerH 30GlnHba 33SerN 3.16559e+06 5.61709e+07 28.09495 83.45048 40.33613 1.00000 None parabolic box sum 813 985 7.66493 1.67376 111.53035 33SerH 31AlaHb* 33SerN 6.36561e+06 4.96232e+07 29.02746 42.30989 40.38990 1.00000 None parabolic box sum 814 986 7.66607 1.52286 111.51278 33SerH 32AlaHb* 33SerN 5.44548e+07 7.12951e+08 28.82868 50.57551 40.21955 1.00000 None parabolic box sum 815 987 7.66618 1.36172 111.53454 33SerH 35LeuHbb 33SerN 1.57110e+06 3.15163e+07 25.60437 225.39573 51.53656 1.00000 None parabolic box sum 816 989 7.66599 1.27627 111.48088 33SerH 40ThrHg2* 33SerN 3.57985e+06 4.03184e+07 26.73537 42.18289 37.94706 1.00000 None parabolic box sum 817 990 7.66573 1.01498 111.52565 33SerH 34ValHgb* 33SerN 1.99843e+06 1.98272e+07 23.96047 36.41154 36.57746 1.00000 None parabolic box sum 818 991 7.66591 0.88054 111.51756 33SerH 34ValHga* 33SerN 1.35655e+07 1.80060e+08 29.22028 52.64163 39.94894 1.00000 None parabolic box sum 819 992 7.66783 0.62462 111.51893 33SerH 35LeuHdb* 33SerN 1.25102e+06 1.22570e+07 21.78401 45.38566 35.73000 1.00000 None parabolic box sum 820 993 8.07792 1.40344 112.43983 5ThrH 4AlaHb* 5ThrN 2.02530e+06 2.11843e+07 29.21522 38.41199 36.50618 1.00000 None parabolic box sum 821 994 8.92554 7.64749 113.62950 58ThrH 61GluH 58ThrN 2.80674e+06 4.09338e+07 29.10674 53.77357 40.84218 1.00000 None parabolic box sum 822 995 8.92566 7.39027 113.65849 58ThrH 54PheHd* 58ThrN 2.72175e+06 3.22655e+07 29.39194 51.19279 39.37793 1.00000 None parabolic box sum 823 998 8.92418 3.28470 113.65214 58ThrH 55AspHbb 58ThrN 2.69236e+06 3.11704e+07 32.72235 44.42672 37.60862 1.00000 None parabolic box sum 824 999 8.92310 2.74100 113.65713 58ThrH 55AspHba 58ThrN 2.87212e+06 5.00051e+07 33.45490 85.66404 39.61325 1.00000 None parabolic box sum 825 1001 7.44139 1.66313 114.43358 95GlnH 96IleHg1b 95GlnN 6.70256e+06 8.52568e+07 29.85239 48.06787 40.86661 1.00000 None parabolic box sum 826 1002 7.44123 1.49457 114.42065 95GlnH (72Leu/93Leu)(Hg/Hba) 95GlnN 2.86716e+06 4.11083e+07 26.48294 57.70291 40.41231 1.00000 None parabolic box sum 827 1003 7.44166 1.22411 114.43008 95GlnH 96IleHg1a 95GlnN 6.73575e+06 9.05811e+07 28.91481 54.60984 39.03151 1.00000 None parabolic box sum 828 1004 7.44034 1.07136 114.44511 95GlnH 93LeuHdb* 95GlnN 2.38106e+06 2.51403e+07 29.84345 48.43981 38.94305 1.00000 None parabolic box sum 829 1006 7.44135 2.25654 114.42469 95GlnH 95GlnHbb 95GlnN 6.87070e+07 9.18963e+08 30.14416 52.49379 39.49893 1.00000 None parabolic box sum 830 1007 7.44211 2.09688 114.42640 95GlnH 94GluHba 95GlnN 2.07614e+07 2.96143e+08 29.92839 59.19146 39.50429 1.00000 None parabolic box sum 831 1008 7.44130 1.92858 114.42736 95GlnH 94GluHb* 95GlnN 6.38154e+07 9.70753e+08 30.23148 63.87216 39.91795 1.00000 None parabolic box sum 832 1009 7.44063 2.46805 114.42925 95GlnH 94GluHgb 95GlnN 2.66960e+06 2.29638e+07 25.52629 35.51393 38.61821 1.00000 None parabolic box sum 833 1010 7.44138 4.32877 114.48099 95GlnH 96IleHa 95GlnN 3.06727e+06 2.30755e+07 29.52695 33.48674 38.77318 1.00000 None parabolic box sum 834 1011 7.44135 4.19567 114.42399 95GlnH 95GlnHa 95GlnN 3.84702e+07 4.97574e+08 29.81365 49.38146 39.70611 1.00000 None parabolic box sum 835 1012 7.44142 4.06706 114.42251 95GlnH 94GluHa 95GlnN 1.77818e+07 2.02116e+08 30.67970 41.41031 39.72983 1.00000 None parabolic box sum 836 1013 7.44154 3.89251 114.42060 95GlnH 93LeuHa 95GlnN 9.78202e+06 1.35607e+08 29.07664 54.68336 39.26361 1.00000 None parabolic box sum 837 1014 7.44195 3.59607 114.41645 95GlnH 92LeuHa 95GlnN 1.18879e+07 1.56537e+08 29.85239 51.67010 39.42144 1.00000 None parabolic box sum 838 1015 7.44071 7.28400 114.42967 95GlnH 96IleH 95GlnN 6.05614e+07 6.99214e+08 30.10720 40.10282 40.10081 1.00000 None parabolic box sum 839 1016 7.57327 0.89662 115.01200 11LeuH 14LeuHdb* 11LeuN 1.89605e+07 2.87211e+08 30.60818 61.12822 38.99300 1.00000 None parabolic box sum 840 1017 7.57342 0.76176 115.01756 11LeuH 11LeuHdb* 11LeuN 4.44429e+07 6.03369e+08 32.53311 55.65567 39.92850 1.00000 None parabolic box sum 841 1018 7.57329 1.92616 115.00846 11LeuH 10LysHba 11LeuN 8.60635e+07 1.22097e+09 31.17085 57.51852 39.63542 1.00000 None parabolic box sum 842 1019 7.57355 1.77644 115.02313 11LeuH 11LeuHbb 11LeuN 4.59507e+07 6.48080e+08 58.09516 56.17898 40.35616 1.00000 None parabolic box sum 843 1020 7.57351 1.48793 115.01712 11LeuH (11Leu/12Ala)Hb* 11LeuN 4.18823e+07 6.26628e+08 33.04362 67.02696 39.60598 1.00000 None parabolic box sum 844 1021 7.57346 1.29268 114.99333 11LeuH 8ThrHg2* 11LeuN 3.57252e+06 5.88740e+07 63.07155 61.71955 41.17000 1.00000 None parabolic box sum 845 1022 7.63103 0.79233 115.36539 93LeuH 93LeuHda* 93LeuN 4.56284e+07 7.06040e+08 33.93650 64.61918 41.14479 1.00000 None parabolic box sum 846 1024 7.63148 1.22915 115.34472 93LeuH 96IleHg1a 93LeuN 1.48998e+07 1.82781e+08 30.42817 46.91942 39.34634 1.00000 None parabolic box sum 847 1025 7.63162 1.07231 115.36237 93LeuH 93LeuHdb* 93LeuN 1.74934e+07 2.37162e+08 29.37049 54.11916 40.32755 1.00000 None parabolic box sum 848 1026 7.63179 2.12620 115.36377 93LeuH {*}(Hg/Hba/Hga) 93LeuN 1.28745e+07 1.92000e+08 30.63768 62.29043 40.64411 1.00000 None parabolic box sum 849 1027 7.62860 1.95794 115.32353 93LeuH {*}(Hbb/Hga/Hba/Hb2) 93LeuN 3.40394e+07 4.80629e+08 67.18516 148.84421 43.06519 1.00000 None parabolic box sum 850 1028 7.63163 1.82378 115.37688 93LeuH 93LeuHbb 93LeuN 9.49120e+07 1.36611e+09 30.44754 55.85422 40.83252 1.00000 None parabolic box sum 851 1029 7.63148 3.00724 115.34805 93LeuH 91HisHbb 93LeuN 2.02170e+06 2.79350e+07 28.94044 58.75543 38.34516 1.00000 None parabolic box sum 852 1030 7.63041 2.46739 115.38071 93LeuH 94GluHgb 93LeuN 1.57566e+06 1.49792e+07 38.76507 35.69282 38.91611 1.00000 None parabolic box sum 853 1031 7.63143 3.59248 115.37446 93LeuH 92LeuHa 93LeuN 1.06813e+07 1.44345e+08 30.44873 51.42830 40.84402 1.00000 None parabolic box sum 854 1033 7.80457 3.41821 115.01540 90GluH 88ValHa 90GluN 4.85709e+06 5.98576e+07 29.97428 45.70767 39.22474 1.00000 None parabolic box sum 855 1034 7.80386 3.01471 115.01896 90GluH 91HisHbb 90GluN 5.00000e+06 7.09108e+07 31.51029 57.09075 39.76309 1.00000 None parabolic box sum 856 1036 7.80662 2.33534 115.04276 90GluH 88ValHb 90GluN 2.31323e+06 1.51439e+07 28.39237 291.08984 37.39792 1.00000 None parabolic box sum 857 1037 7.80388 2.22064 115.03263 90GluH 90GluHgb 90GluN 2.65520e+07 3.67972e+08 29.92600 56.60911 38.99050 1.00000 None parabolic box sum 858 1038 7.80382 2.09335 115.03034 90GluH 90GluHbb 90GluN 7.75060e+07 1.08397e+09 29.93286 58.11496 39.49773 1.00000 None parabolic box sum 859 1040 7.80386 1.75080 115.04072 90GluH 87AlaHb* 90GluN 8.27742e+06 1.14914e+08 30.72441 78.33376 40.22759 1.00000 None parabolic box sum 860 1041 7.80374 1.40093 115.02768 90GluH 89AlaHb* 90GluN 4.62536e+07 6.10696e+08 30.13670 51.58439 39.53904 1.00000 None parabolic box sum 861 1042 7.80602 1.25429 115.07876 90GluH 23ThrHg2* 90GluN 3.36830e+06 5.04465e+07 54.68100 60.64776 44.96884 1.00000 None parabolic box sum 862 1045 7.85704 3.72153 115.30538 9SerH 8ThrHa 9SerN 4.98812e+06 6.12567e+07 29.60205 45.56337 39.12383 1.00000 None parabolic box sum 863 1046 7.85042 0.90799 115.31754 9SerH 7LeuHdb* 9SerN 2.72492e+06 4.05083e+07 58.92634 137.45052 40.16846 1.00000 None parabolic box sum 864 1047 8.46647 2.03847 115.74861 86HisH 85ProHba 86HisN 3.43580e+07 5.17551e+08 29.36661 66.14272 39.68018 1.00000 None parabolic box sum 865 1048 8.46629 1.74645 115.76154 86HisH 87AlaHb* 86HisN 7.56734e+06 1.08280e+08 27.72748 61.17500 39.19470 1.00000 None parabolic box sum 866 1049 8.46672 1.31891 115.76273 86HisH 88ValHgb* 86HisN 7.50935e+06 1.12146e+08 27.95070 71.58695 38.86825 1.00000 None parabolic box sum 867 1050 8.46547 1.10628 115.73004 86HisH (27Val/45Thr)(Hgb*/Hg2*) 86HisN 1.04838e+07 1.70215e+08 30.02793 117.21048 39.93154 1.00000 None parabolic box sum 868 1051 8.46608 1.01910 115.77006 86HisH 45ThrHg2* 86HisN 8.59711e+06 1.40074e+08 29.04147 125.27363 39.80750 1.00000 None parabolic box sum 869 1052 8.46459 0.87615 115.74620 86HisH 88ValHga* 86HisN 2.12026e+06 3.12860e+07 26.96931 278.66721 37.81760 1.00000 None parabolic box sum 870 1053 8.46417 0.77210 115.73590 86HisH 28LeuHda* 86HisN 3.87863e+06 5.26873e+07 29.89858 63.69130 40.54797 1.00000 None parabolic box sum 871 1055 8.46671 2.87230 115.75492 86HisH 86HisHbb 86HisN 4.66928e+07 6.23362e+08 29.59937 53.53727 39.77150 1.00000 None parabolic box sum 872 1056 8.46678 2.69752 115.75196 86HisH 86HisHba 86HisN 4.86850e+07 6.67408e+08 29.60384 53.37450 39.98572 1.00000 None parabolic box sum 873 1057 8.46685 2.53186 115.75787 86HisH 85ProHda 86HisN 7.92490e+06 1.12701e+08 30.62636 53.97841 40.31819 1.00000 None parabolic box sum 874 1058 8.46606 2.32412 115.75503 86HisH 88ValHb 86HisN 1.79369e+06 2.86885e+07 24.06776 71.02354 43.10179 1.00000 None parabolic box sum 875 1059 8.46665 4.07051 115.75731 86HisH 85ProHa 86HisN 1.83326e+07 2.32069e+08 29.16843 49.77384 39.82496 1.00000 None parabolic box sum 876 1060 8.46669 3.92842 115.75205 86HisH 86HisHa 86HisN 4.01518e+07 5.35526e+08 29.36304 54.05193 39.91014 1.00000 None parabolic box sum 877 1061 8.46641 3.79665 115.75520 86HisH 85ProHdb 86HisN 1.19666e+07 1.87458e+08 28.23055 163.52678 39.56938 1.00000 None parabolic box sum 878 1063 8.46683 4.38591 115.75013 86HisH 84ThrHa 86HisN 2.10432e+07 3.20051e+08 29.67983 59.37782 39.48998 1.00000 None parabolic box sum 879 1065 8.46688 8.22294 115.76075 86HisH 87AlaH 86HisN 2.85167e+07 3.38984e+08 29.96117 44.61573 39.86955 1.00000 None parabolic box sum 880 1066 8.46708 6.85728 115.75446 86HisH 86HisHd2 86HisN 6.31279e+06 7.84804e+07 29.66851 48.10090 39.54369 1.00000 None parabolic box sum 881 1067 8.81020 8.20277 115.23359 48SerH 49PheH 48SerN 5.69708e+06 8.46643e+07 29.03759 65.12283 43.06167 1.00000 None parabolic box sum 882 1069 8.80971 7.48694 115.25409 48SerH 47GluH 48SerN 1.00513e+07 1.35029e+08 30.16472 54.19160 39.02721 1.00000 None parabolic box sum 883 1070 8.81026 4.65902 115.24413 48SerH 48SerHa 48SerN 2.77037e+07 3.47829e+08 30.35009 48.16145 40.09950 1.00000 None parabolic box sum 884 1073 8.81037 2.97888 115.24678 48SerH 51AspHbb 48SerN 1.69311e+07 2.27967e+08 30.01988 56.53126 39.46584 1.00000 None parabolic box sum 885 1074 8.81014 2.83347 115.24496 48SerH 51AspHba 48SerN 1.09490e+07 1.54416e+08 30.25323 61.41405 39.31767 1.00000 None parabolic box sum 886 1076 8.81034 2.37088 115.25968 48SerH 47GluHgb 48SerN 1.28813e+07 1.89665e+08 30.29704 95.77678 39.02066 1.00000 None parabolic box sum 887 1077 8.81012 2.05072 115.24966 48SerH 47GluHbb 48SerN 2.22108e+07 3.21487e+08 30.41327 58.50891 39.58285 1.00000 None parabolic box sum 888 1078 8.81033 1.93206 115.25243 48SerH 47GluHba 48SerN 1.38267e+07 2.10337e+08 30.00706 138.60015 40.36480 1.00000 None parabolic box sum 889 1079 8.81064 1.00606 115.24195 48SerH (84Thr/52Leu)(Hg2*/Hdb*) 48SerN 1.48605e+07 1.96286e+08 29.99157 51.50183 40.00539 1.00000 None parabolic box sum 890 1081 7.61710 7.03198 116.43097 35LeuH 37TyrHd* 35LeuN 3.14169e+06 4.37405e+07 33.17565 54.95701 42.00846 1.00000 None parabolic box sum 891 1082 7.56700 3.59784 116.82448 94GluH 92LeuHa 94GluN 5.49120e+06 7.32154e+07 29.87117 51.80575 40.03680 1.00000 None parabolic box sum 892 1083 7.56788 6.57007 116.82579 94GluH 95GlnHe2b 94GluN 3.50290e+06 4.74511e+07 28.10895 53.43957 42.77879 1.00000 None parabolic box sum 893 1084 7.56642 6.33532 116.72425 94GluH 95GlnHe2a 94GluN 1.53835e+06 1.32297e+07 23.49377 35.58175 36.13573 1.00000 None parabolic box sum 894 1085 7.56547 8.40957 116.83093 94GluH 92LeuH 94GluN 4.34630e+06 4.71381e+07 26.95680 47.16201 35.23111 1.00000 None parabolic box sum 895 1086 7.66058 7.98762 117.77090 82HisH 81AspH 82HisN 4.23329e+07 6.04458e+08 29.96534 53.95639 39.71034 1.00000 None parabolic box sum 896 1087 7.64807 8.53456 117.99670 25LysH 24ArgH 25LysN 3.44721e+07 4.53028e+08 28.70589 50.28034 40.09324 1.00000 None parabolic box sum 897 1088 7.66156 6.68262 117.75966 82HisH 82HisHd2 82HisN 2.01056e+07 2.54680e+08 30.15399 46.92787 39.81787 1.00000 None parabolic box sum 898 1090 7.66150 3.43184 117.75827 82HisH (88Val/83Pro)(Ha/Hda) 82HisN 1.14768e+07 1.59772e+08 30.09796 53.70004 39.56980 1.00000 None parabolic box sum 899 1092 7.64860 3.98009 117.99863 25LysH 25LysHa 25LysN 4.31281e+07 5.61619e+08 29.36006 49.49469 40.11303 1.00000 None parabolic box sum 900 1093 7.64860 3.72142 117.99480 25LysH 22ValHa 25LysN 2.92394e+07 4.06278e+08 29.07842 55.12293 40.60292 1.00000 None parabolic box sum 901 1094 7.65716 4.10863 117.85257 82HisH 81AspHa 82HisN 2.05859e+07 3.03007e+08 30.27081 55.42685 43.33049 1.00000 None parabolic box sum 902 1095 7.66088 3.84712 117.76483 82HisH 79IleHa 82HisN 1.72324e+07 2.15707e+08 30.11703 46.24867 39.75457 1.00000 None parabolic box sum 903 1096 7.66121 2.87762 117.76749 82HisH 80PheHba 82HisN 3.17101e+06 3.84478e+07 31.16727 55.14612 41.51273 1.00000 None parabolic box sum 904 1098 7.66276 4.52810 117.76552 82HisH 80PheHa 82HisN 4.58127e+06 5.33667e+07 29.80798 45.79063 37.95439 1.00000 None parabolic box sum 905 1099 7.64804 1.51863 118.00250 25LysH 25LysHga 25LysN 1.53790e+07 2.43767e+08 27.49205 85.79614 38.48308 1.00000 None parabolic box sum 906 1101 7.65769 1.32617 117.82447 82HisH 88ValHgb* 82HisN 1.74667e+07 2.82760e+08 30.86627 76.19334 41.65924 1.00000 None parabolic box sum 907 1103 7.64861 1.91087 118.00346 25LysH (25Lys/24Arg)Hb* 25LysN 7.89541e+07 1.42407e+09 29.32221 116.54602 40.06982 1.00000 None parabolic box sum 908 1104 7.66175 2.35250 117.76438 82HisH 82HisHba 82HisN 5.36962e+07 7.78433e+08 30.62248 58.37170 39.45792 1.00000 None parabolic box sum 909 1106 7.64905 4.33874 118.07549 25LysH 26LeuHa 25LysN 3.34422e+06 4.15686e+07 26.67934 47.83236 37.87696 1.00000 None parabolic box sum 910 1108 7.73528 4.48653 117.99316 99IleH 97ProHa 99IleN 7.22797e+06 7.52207e+07 29.45781 36.22282 40.87895 1.00000 None parabolic box sum 911 1109 7.73479 4.34701 117.99940 99IleH 99IleHa 99IleN 2.19931e+07 2.99641e+08 28.49281 52.09591 39.20233 1.00000 None parabolic box sum 912 1110 7.73423 3.96578 118.00068 99IleH 98GlyHaa 99IleN 3.80538e+07 5.34521e+08 29.38688 55.50666 39.42227 1.00000 None parabolic box sum 913 1111 7.73575 1.42768 117.98997 99IleH 99IleHg1b 99IleN 1.85492e+07 2.62993e+08 29.11955 54.53435 40.99780 1.00000 None parabolic box sum 914 1112 7.73511 1.95018 117.99099 99IleH 99IleHb 99IleN 3.29574e+07 4.69000e+08 29.18333 53.63674 42.26822 1.00000 None parabolic box sum 915 1113 7.73444 1.20663 117.99455 99IleH 99IleHg1a 99IleN 3.01742e+07 4.32776e+08 28.49877 56.93584 39.79284 1.00000 None parabolic box sum 916 1114 7.73519 0.89485 117.99629 99IleH 99IleHg2* 99IleN 2.09802e+07 3.21655e+08 28.32204 60.36547 40.01510 1.00000 None parabolic box sum 917 1115 8.12517 1.43843 118.04061 100GlyH 99IleHg1b 100GlyN 6.45296e+06 8.73410e+07 27.26704 58.17079 35.99536 1.00000 None parabolic box sum 918 1116 8.12368 1.20779 118.05202 100GlyH 99IleHg1a 100GlyN 3.90959e+06 5.46379e+07 31.33208 59.58620 38.35946 1.00000 None parabolic box sum 919 1118 8.12488 1.95037 118.04875 100GlyH 99IleHb 100GlyN 1.90913e+07 2.53716e+08 28.16141 51.98975 38.31786 1.00000 None parabolic box sum 920 1121 8.12600 3.98020 118.08643 100GlyH 98GlyHaa 100GlyN 3.27318e+06 2.50483e+07 26.40635 28.19467 39.25264 1.00000 None parabolic box sum 921 1122 8.12491 3.78438 118.04182 100GlyH 100GlyHa* 100GlyN 3.79392e+07 6.66371e+08 27.67056 86.29783 39.11889 1.00000 None parabolic box sum 922 1124 8.25906 6.81818 117.37163 68ThrH 67GlnHe2a 68ThrN 3.78986e+06 5.11949e+07 28.71871 49.33801 81.47436 1.00000 None parabolic box sum 923 1125 8.25737 7.38130 117.38135 68ThrH 67GlnHe2b 68ThrN 5.82404e+06 8.46937e+07 30.22075 55.74610 39.80505 1.00000 None parabolic box sum 924 1126 8.25765 7.99005 117.37982 68ThrH 69AlaH 68ThrN 3.92945e+07 5.92255e+08 29.63781 55.36620 40.89028 1.00000 None parabolic box sum 925 1127 8.25888 8.73112 117.37084 68ThrH 66LeuH 68ThrN 5.04668e+06 5.02283e+07 27.43572 43.75233 44.37292 1.00000 None parabolic box sum 926 1128 8.25793 4.28492 117.37883 68ThrH 68ThrHb 68ThrN 7.97360e+07 1.05607e+09 28.86593 51.92252 39.57987 1.00000 None parabolic box sum 927 1129 8.26115 4.14978 117.39245 68ThrH 67GlnHa 68ThrN 1.39474e+07 1.74122e+08 27.29565 39.64458 94.56414 1.00000 None parabolic box sum 928 1130 8.25782 3.95171 117.37897 68ThrH 68ThrHa 68ThrN 4.58191e+07 6.18496e+08 28.86742 52.54687 39.99007 1.00000 None parabolic box sum 929 1131 8.25739 4.50028 117.37657 68ThrH 65HisHa 68ThrN 1.64285e+07 2.19031e+08 28.22191 52.21386 38.45429 1.00000 None parabolic box sum 930 1132 8.25974 2.86472 117.38408 68ThrH 67GlnHgb 68ThrN 6.19985e+06 8.34160e+07 26.70437 42.31303 89.43826 1.00000 None parabolic box sum 931 1133 8.25839 2.54252 117.38124 68ThrH 67GlnHga 68ThrN 2.78755e+07 4.51379e+08 28.84954 66.08885 42.97215 1.00000 None parabolic box sum 932 1134 8.25774 2.27997 117.37996 68ThrH 67GlnHba 68ThrN 2.16222e+07 3.18259e+08 28.89842 57.61170 40.45290 1.00000 None parabolic box sum 933 1135 8.25949 0.79536 117.36470 68ThrH {*}Hda* 68ThrN 6.75198e+06 1.10187e+08 29.15591 66.99590 94.62857 1.00000 None parabolic box sum 934 1137 8.25789 1.53469 117.37020 68ThrH 69AlaHb* 68ThrN 1.19712e+07 1.53198e+08 27.56566 48.64111 45.77816 1.00000 None parabolic box sum 935 1138 8.25818 1.26535 117.37750 68ThrH 68ThrHg2* 68ThrN 2.89324e+07 3.76097e+08 28.84537 50.22402 40.49742 1.00000 None parabolic box sum 936 1139 8.40728 3.01303 117.13826 92LeuH 91HisHbb 92LeuN 2.36515e+07 3.52713e+08 29.74272 58.47903 39.90936 1.00000 None parabolic box sum 937 1140 8.40726 3.80623 117.14754 92LeuH 89AlaHa 92LeuN 1.46073e+07 2.22687e+08 30.16859 65.30566 42.28485 1.00000 None parabolic box sum 938 1141 8.40716 3.59402 117.13670 92LeuH 92LeuHa 92LeuN 2.97500e+07 3.86464e+08 30.04104 48.20430 40.98332 1.00000 None parabolic box sum 939 1142 8.40732 3.41919 117.14050 92LeuH 88ValHa 92LeuN 8.51533e+06 1.10421e+08 29.29717 47.92751 40.49981 1.00000 None parabolic box sum 940 1143 8.40656 1.39154 117.14500 92LeuH 89AlaHb* 92LeuN 4.39915e+06 7.05646e+07 26.76606 267.38282 57.82914 1.00000 None parabolic box sum 941 1144 8.40587 1.23472 117.16451 92LeuH 23ThrHg2* 92LeuN 7.91000e+06 1.08599e+08 28.74792 55.88529 45.40044 1.00000 None parabolic box sum 942 1145 8.40711 1.07191 117.14237 92LeuH 92LeuHdb* 92LeuN 2.77333e+07 3.87960e+08 29.75613 54.51626 41.25005 1.00000 None parabolic box sum 943 1146 8.40490 0.90329 117.17877 92LeuH 92LeuHba 92LeuN 1.04018e+07 1.86568e+08 25.45536 163.54250 89.76966 1.00000 None parabolic box sum 944 1147 8.40736 0.75629 117.14428 92LeuH 92LeuHda* 92LeuN 4.66461e+07 6.86918e+08 29.95551 61.05627 40.68065 1.00000 None parabolic box sum 945 1149 8.40749 1.96040 117.14532 92LeuH 92LeuHbb 92LeuN 4.17996e+07 5.74466e+08 29.72394 52.80597 41.15450 1.00000 None parabolic box sum 946 1150 8.40731 4.22962 117.13088 92LeuH 91HisHa 92LeuN 1.27232e+07 1.63780e+08 29.51592 47.17459 40.59494 1.00000 None parabolic box sum 947 1151 8.40724 6.17596 117.14243 92LeuH 91HisHd2 92LeuN 7.11060e+06 8.75535e+07 29.00183 46.68430 40.49033 1.00000 None parabolic box sum 948 1152 8.40698 7.72022 117.12769 92LeuH 91HisH 92LeuN 3.05828e+07 5.28152e+08 30.06935 105.48436 41.38482 1.00000 None parabolic box sum 949 1153 8.40698 7.65243 117.12769 92LeuH 93LeuH 92LeuN 2.82580e+07 5.88712e+08 28.10448 110.20025 89.36441 1.00000 None None box sum 950 1155 8.43200 7.38630 117.87773 62LeuH 54PheHd* 62LeuN 4.25884e+06 5.65365e+07 28.30833 110.24635 43.95449 1.00000 None parabolic box sum 951 1156 8.44872 6.94721 117.71111 46HisH 46HisHd2 46HisN 3.19963e+06 3.98960e+07 36.28612 44.78175 41.03833 1.00000 None parabolic box sum 952 1157 8.43167 2.42461 117.89467 62LeuH 61GluHgb 62LeuN 4.20130e+06 4.51000e+07 27.70364 44.28478 38.44756 1.00000 None parabolic box sum 953 1158 8.98568 0.80702 117.63986 75SerH 74LeuHda* 75SerN 1.93427e+06 3.15568e+07 36.30862 154.27744 40.53307 1.00000 None parabolic box sum 954 1159 8.23931 6.82539 118.10807 30GlnH 30GlnHe2a 30GlnN 3.48691e+06 5.06593e+07 26.60096 50.60736 78.82786 1.00000 None parabolic box sum 955 1160 8.24147 4.35529 118.12510 30GlnH 29AspHa 30GlnN 1.81877e+07 2.46823e+08 30.28095 44.66655 45.21632 1.00000 None parabolic box sum 956 1161 8.24115 4.14144 118.14039 30GlnH 30GlnHa 30GlnN 3.48590e+07 4.89946e+08 29.94746 55.09108 43.20109 1.00000 None parabolic box sum 957 1162 8.24141 3.43902 118.14130 30GlnH 27ValHa 30GlnN 1.02000e+07 1.38202e+08 29.89650 53.62809 40.09604 1.00000 None parabolic box sum 958 1163 8.24097 2.95730 118.14718 30GlnH 29AspHbb 30GlnN 2.79724e+07 3.62846e+08 29.95193 50.94274 40.28833 1.00000 None parabolic box sum 959 1164 8.24128 2.80313 118.14430 30GlnH 30GlnHgb 30GlnN 3.86990e+07 5.37364e+08 29.45781 54.24262 40.26669 1.00000 None parabolic box sum 960 1165 8.24114 2.60647 118.14209 30GlnH 29AspHba 30GlnN 1.97352e+07 2.77935e+08 29.16306 48.11780 47.77825 1.00000 None parabolic box sum 961 1166 8.24126 2.01729 118.14447 30GlnH 30GlnHba 30GlnN 6.31250e+07 9.82747e+08 29.92809 76.61482 40.08055 1.00000 None parabolic box sum 962 1168 8.24139 1.66788 118.13667 30GlnH 31AlaHb* 30GlnN 1.28865e+07 1.79424e+08 29.18661 59.04559 38.81472 1.00000 None parabolic box sum 963 1169 8.24123 1.12654 118.14967 30GlnH 27ValHga* 30GlnN 3.65013e+06 5.73414e+07 27.57907 74.42800 37.55826 1.00000 None parabolic box sum 964 1170 8.24129 0.89544 118.13539 30GlnH 62LeuHdb* 30GlnN 1.50657e+07 2.30799e+08 30.46632 61.82727 39.81084 1.00000 None parabolic box sum 965 1171 8.24098 0.77132 118.13258 30GlnH 26LeuHda* 30GlnN 1.32538e+07 1.86852e+08 28.99289 132.62552 42.78612 1.00000 None parabolic box sum 966 1172 8.23967 1.52816 118.06197 30GlnH (32Ala/69Ala)Hb* 30GlnN 5.84204e+06 9.10287e+07 27.29475 159.32614 90.70778 1.00000 None parabolic box sum 967 1173 9.23447 7.78145 119.88947 29AspH 26LeuH 29AspN 2.86219e+06 3.39977e+07 28.58341 119.29153 43.32900 1.00000 None parabolic box sum 968 1174 9.23455 7.66260 119.93123 29AspH 33SerH 29AspN 2.06658e+06 3.47790e+07 25.72402 128.36237 39.56598 1.00000 None parabolic box sum 969 1175 9.23868 7.07430 119.84737 29AspH 30GlnHe2b 29AspN 1.34551e+06 1.94637e+07 27.01044 52.57400 43.13791 1.00000 None parabolic box sum 970 1176 9.23643 4.14876 119.85990 29AspH 30GlnHa 29AspN 2.85731e+06 4.41751e+07 25.15659 63.83480 37.10198 1.00000 None parabolic box sum 971 1177 9.10171 1.30755 118.52672 19GlnH 17ThrHg2* 19GlnN 2.68052e+06 4.10886e+07 28.50741 60.83924 42.86116 1.00000 None parabolic box sum 972 1178 9.10244 1.08654 118.52247 19GlnH 22ValHgb* 19GlnN 2.94771e+06 3.63977e+07 30.08530 47.61494 36.89337 1.00000 None parabolic box sum 973 1179 9.10223 7.35573 118.54225 19GlnH 14LeuH 19GlnN 2.18515e+06 3.76346e+07 25.83608 67.71343 39.81197 1.00000 None parabolic box sum 974 1180 9.10186 8.78202 118.50711 19GlnH 15ThrH 19GlnN 4.25362e+06 4.59326e+07 24.06895 40.81328 38.63066 1.00000 None parabolic box sum 975 1183 8.73453 8.00408 118.70843 32AlaH 34ValH 32AlaN 6.64350e+06 9.73944e+07 31.87865 52.73442 49.46184 1.00000 None parabolic box sum 976 1184 8.73480 7.67024 118.59754 32AlaH 33SerH 32AlaN 4.50869e+07 5.89517e+08 28.55122 49.94271 40.30102 1.00000 None parabolic box sum 977 1187 8.73376 7.34944 118.74395 32AlaH 54PheHz 32AlaN 2.20440e+06 4.08568e+07 27.65030 66.71242 56.45293 1.00000 None parabolic box sum 978 1188 8.73974 6.83557 118.86152 66LeuH 67GlnHe2a 66LeuN 1.38197e+06 2.65006e+07 25.39515 76.56194 64.25178 1.00000 None parabolic box sum 979 1189 8.72912 7.22284 118.63360 66LeuH 65HisHd2 66LeuN 1.69120e+06 2.79098e+07 31.79282 59.53725 46.83983 1.00000 None parabolic box sum 980 1190 8.73444 7.02757 118.61036 32AlaH 37TyrHd* 32AlaN 3.78112e+06 5.69236e+07 28.35244 57.51596 43.64055 1.00000 None parabolic box sum 981 1191 8.73170 4.49757 119.09553 66LeuH 65HisHa 66LeuN 1.22674e+07 1.67913e+08 30.49791 50.41314 44.24846 1.00000 None parabolic box sum 982 1192 8.73169 4.13532 119.03735 66LeuH 66LeuHa 66LeuN 3.60451e+07 5.57886e+08 30.14266 59.68843 46.80395 1.00000 None parabolic box sum 983 1193 8.73398 4.35125 118.62448 32AlaH 29AspHa 32AlaN 1.63586e+07 2.38631e+08 29.07634 55.68673 43.44010 1.00000 None parabolic box sum 984 1194 8.73498 4.02485 118.60589 32AlaH 28LeuHa 32AlaN 1.43655e+07 2.03371e+08 28.10240 146.15138 41.78399 1.00000 None parabolic box sum 985 1195 8.73475 3.86960 118.58634 32AlaH 32AlaHa 32AlaN 3.85495e+07 5.36591e+08 28.29552 55.79014 39.53606 1.00000 None parabolic box sum 986 1196 8.73011 2.93637 118.68950 32AlaH 37TyrHba 32AlaN 5.45271e+06 8.50955e+07 27.01879 60.05447 49.61348 1.00000 None parabolic box sum 987 1197 8.73491 1.67362 118.58572 32AlaH 31AlaHb* 32AlaN 5.60742e+07 6.89634e+08 28.55808 50.31366 39.39837 1.00000 None parabolic box sum 988 1198 8.73490 1.52329 118.59682 32AlaH 32AlaHb* 32AlaN 1.19627e+08 1.53421e+09 28.60546 49.58197 40.72720 1.00000 None parabolic box sum 989 1199 8.73472 1.27866 118.70328 32AlaH 40ThrHg2* 32AlaN 1.31006e+07 1.80415e+08 28.97680 49.03075 55.05794 1.00000 None parabolic box sum 990 1200 8.73211 1.07238 119.09162 66LeuH 66LeuHdb* 66LeuN 2.97393e+07 4.21778e+08 29.97726 56.34215 40.42888 1.00000 None parabolic box sum 991 1201 8.73196 0.76762 119.07949 66LeuH 66LeuHda* 66LeuN 4.39033e+07 6.91739e+08 30.56228 74.76927 41.64058 1.00000 None parabolic box sum 992 1202 8.73382 0.24733 118.86272 66LeuH 62LeuHda* 66LeuN 3.17153e+06 4.46824e+07 27.97484 49.87764 52.76299 1.00000 None parabolic box sum 993 1203 8.73474 0.88437 118.69527 32AlaH 43LeuHdb* 32AlaN 3.14244e+07 5.05640e+08 28.85491 65.29661 53.40123 1.00000 None parabolic box sum 994 1204 8.73619 0.62652 118.57378 32AlaH 35LeuHdb* 32AlaN 3.91747e+06 5.18333e+07 28.21326 48.24834 38.74946 1.00000 None parabolic box sum 995 1205 8.73316 0.11053 118.65194 32AlaH 35LeuHda* 32AlaN 1.18591e+06 1.57208e+07 26.46506 48.70009 47.97524 1.00000 None parabolic box sum 996 1206 8.73145 2.02194 119.07802 66LeuH 66LeuHbb 66LeuN 4.63202e+07 6.65254e+08 29.89680 58.52503 41.07267 1.00000 None parabolic box sum 997 1209 8.73283 2.55680 119.07892 66LeuH 67GlnHga 66LeuN 3.61252e+06 6.58524e+07 27.04561 84.85961 46.28903 1.00000 None parabolic box sum 998 1210 8.73206 3.19019 119.10274 66LeuH 65HisHba 66LeuN 2.25182e+07 3.25677e+08 30.79385 56.86428 40.72297 1.00000 None parabolic box sum 999 1211 8.73188 3.59150 119.10298 66LeuH 65HisHbb 66LeuN 2.02361e+07 3.36747e+08 30.71785 76.24720 40.02327 1.00000 None parabolic box sum 1000 1212 8.45822 6.92516 118.94710 73AsnH 73AsnHd2a 73AsnN 1.36342e+06 1.97481e+07 34.89494 53.74742 45.39782 1.00000 None parabolic box sum 1001 1213 8.48703 1.88902 118.37713 22ValH 25LysHba 22ValN 7.54640e+06 1.43409e+08 34.34926 227.20235 44.53039 1.00000 None parabolic box sum 1002 1214 8.35327 2.60626 119.35073 28LeuH 29AspHba 28LeuN 1.94058e+06 2.61833e+07 27.35406 51.40039 36.69250 1.00000 None parabolic box sum 1003 1215 8.35430 1.44406 119.31909 28LeuH 89AlaHb* 28LeuN 3.14388e+06 5.28194e+07 76.40034 668.96346 40.57306 1.00000 None parabolic box sum 1004 1216 8.28664 3.72069 119.13501 7LeuH 8ThrHa 7LeuN 3.28701e+06 4.01943e+07 72.47984 44.03630 38.96052 1.00000 None parabolic box sum 1005 1217 8.15223 0.62370 118.87335 52LeuH 35LeuHdb* 52LeuN 3.82591e+06 3.46744e+07 53.40248 32.32925 40.64792 1.00000 None parabolic box sum 1006 1218 8.14877 7.21280 118.96086 52LeuH 80PheHe* 52LeuN 4.39341e+06 7.39026e+07 58.01469 55.43117 58.31075 1.00000 None parabolic box sum 1007 1219 8.15614 6.92896 118.96427 52LeuH 49PheHd* 52LeuN 5.32662e+06 8.38955e+07 98.24336 57.43418 40.87007 1.00000 None parabolic box sum 1008 1220 8.10517 7.74520 119.11855 54PheH 53GlyH 54PheN 5.67736e+07 7.24629e+08 42.66858 50.82105 39.79480 1.00000 None parabolic box sum 1009 1221 8.10470 7.39477 119.12260 54PheH 54PheHd* 54PheN 5.16104e+07 6.96985e+08 31.68881 52.70689 39.84356 1.00000 None parabolic box sum 1010 1222 8.10477 7.22397 119.14164 54PheH 54PheHe* 54PheN 8.73805e+06 9.13240e+07 37.87249 48.27134 41.04030 1.00000 None parabolic box sum 1011 1223 8.11006 6.92699 119.07831 54PheH 49PheHd* 54PheN 4.00716e+06 6.16037e+07 118.18618 57.00150 41.54444 1.00000 None parabolic box sum 1012 1224 8.10375 4.10363 119.12282 54PheH 54PheHa 54PheN 3.11486e+07 4.10442e+08 30.64603 51.12124 39.88111 1.00000 None parabolic box sum 1013 1225 8.10440 3.81547 119.13500 54PheH 53GlyHaa 54PheN 1.97613e+07 2.56915e+08 32.68838 54.97942 37.16874 1.00000 None parabolic box sum 1014 1226 8.17270 0.11458 119.90605 37TyrH 35LeuHda* 37TyrN 2.56091e+06 3.03359e+07 30.93094 42.65391 40.63690 1.00000 None parabolic box sum 1015 1227 7.97513 0.12383 119.62833 81AspH 79IleHg1a 81AspN 1.45649e+06 1.77329e+07 30.82484 50.67931 34.44993 1.00000 None parabolic box sum 1016 1229 7.21730 8.32681 119.50245 60LeuH 57LeuH 60LeuN 2.23089e+06 2.59630e+07 30.64156 123.08937 42.10746 1.00000 None parabolic box sum 1017 1231 7.64261 4.47510 119.47937 61GluH 57LeuHa 61GluN 5.23844e+06 7.44270e+07 77.65442 60.51920 38.05482 1.00000 None parabolic box sum 1018 1232 7.70148 2.60181 119.62297 72LeuH 67GlnHga 72LeuN 2.98122e+06 4.58244e+07 27.63927 94.54694 34.69712 1.00000 None parabolic box sum 1019 1235 7.71258 3.59559 118.91912 91HisH 92LeuHa 91HisN 2.73638e+06 3.59282e+07 26.72404 44.99524 47.00935 1.00000 None parabolic box sum 1020 1237 7.71107 1.75212 118.97806 91HisH 87AlaHb* 91HisN 4.35590e+06 7.25678e+07 23.06104 87.16202 76.08479 1.00000 None parabolic box sum 1021 1239 7.76751 3.44504 119.51709 26LeuH 27ValHa 26LeuN 2.86852e+06 3.86372e+07 26.48085 51.08349 51.45508 1.00000 None parabolic box sum 1022 1240 7.76791 9.23491 119.58068 26LeuH 29AspH 26LeuN 2.06127e+06 2.54617e+07 28.42307 49.84161 38.72019 1.00000 None parabolic box sum 1023 1241 7.69588 7.32250 120.69270 10LysH 12AlaH 10LysN 6.85793e+06 9.26912e+07 26.59947 49.21180 44.43181 1.00000 None parabolic box sum 1024 1242 7.69749 7.57684 120.66340 10LysH 11LeuH 10LysN 2.95884e+07 4.16404e+08 30.48718 56.98076 38.19227 1.00000 None parabolic box sum 1025 1243 7.69755 3.71748 120.68348 10LysH 8ThrHa 10LysN 4.77080e+06 6.16264e+07 29.46407 50.01761 38.67471 1.00000 None parabolic box sum 1026 1244 7.69740 4.22817 120.67691 10LysH 10LysHa 10LysN 4.07836e+07 6.20660e+08 30.08038 69.44220 39.34127 1.00000 None parabolic box sum 1027 1245 7.69763 3.99274 120.66971 10LysH 9SerHba 10LysN 2.25033e+07 2.99357e+08 29.87742 52.83861 39.54202 1.00000 None parabolic box sum 1028 1247 7.69746 1.94011 120.67682 10LysH 10LysHba 10LysN 5.70830e+07 8.85780e+08 29.90693 68.01932 38.99622 1.00000 None parabolic box sum 1029 1248 7.70608 1.26385 120.81201 10LysH 8ThrHg2* 10LysN 2.12782e+06 2.69450e+07 27.59695 79.72087 26.32499 1.00000 None parabolic box sum 1030 1250 7.69708 1.47665 120.71480 10LysH {*}(Hba/Hga/Hb*) 10LysN 1.48913e+07 2.03054e+08 30.41744 149.69503 31.85767 1.00000 None parabolic box sum 1031 1251 7.69695 0.90549 120.70501 10LysH 7LeuHdb* 10LysN 9.22790e+06 1.26616e+08 30.42489 62.30734 33.23817 1.00000 None parabolic box sum 1032 1252 7.69771 0.75984 120.73314 10LysH 11LeuHdb* 10LysN 6.10010e+06 6.84633e+07 29.60145 149.89869 32.14574 1.00000 None parabolic box sum 1033 1253 7.68245 3.03059 122.07059 21AlaH 24ArgHda 21AlaN 1.94177e+06 2.61607e+07 31.96329 163.40686 41.82065 1.00000 None parabolic box sum 1034 1254 7.48056 4.05893 121.77793 47GluH 45ThrHb 47GluN 2.48788e+06 2.79945e+07 32.21005 41.80270 38.50353 1.00000 None parabolic box sum 1035 1255 7.47898 1.08533 121.74938 47GluH 45ThrHg2* 47GluN 2.06821e+06 3.24025e+07 32.26489 127.70853 36.03941 1.00000 None parabolic box sum 1036 1256 7.31559 0.89273 121.69649 12AlaH {*}(Hda*/Hg2*/Hg2*) 12AlaN 1.24901e+07 1.83414e+08 26.82209 136.34138 39.10857 1.00000 None parabolic box sum 1037 1257 7.31594 0.76326 121.69479 12AlaH 11LeuHdb* 12AlaN 1.34224e+07 1.87497e+08 28.07468 72.45350 39.13677 1.00000 None parabolic box sum 1038 1258 7.31606 1.45713 121.68896 12AlaH 12AlaHb* 12AlaN 1.57015e+08 2.07126e+09 28.49251 52.73048 39.15900 1.00000 None parabolic box sum 1039 1259 7.31565 1.92443 121.68814 12AlaH 10LysHba 12AlaN 1.63675e+07 2.20733e+08 27.45569 54.33541 41.09275 1.00000 None parabolic box sum 1040 1260 7.31599 1.77861 121.68620 12AlaH 11LeuHbb 12AlaN 1.80320e+07 2.30865e+08 28.33396 53.93594 38.08886 1.00000 None parabolic box sum 1041 1261 7.31620 4.32018 121.68997 12AlaH 11LeuHa 12AlaN 2.99235e+07 4.32033e+08 28.56344 61.53004 39.41882 1.00000 None parabolic box sum 1042 1262 7.31581 4.12293 121.68914 12AlaH 12AlaHa 12AlaN 5.16417e+07 6.97501e+08 27.81421 55.44415 39.04134 1.00000 None parabolic box sum 1043 1264 7.31536 3.85074 121.69410 12AlaH 13GlyHaa 12AlaN 1.52530e+06 1.39153e+07 24.48142 34.66861 37.43613 1.00000 None parabolic box sum 1044 1265 7.31728 3.71726 121.68831 12AlaH 8ThrHa 12AlaN 6.59259e+06 8.36954e+07 28.74136 49.97278 38.27637 1.00000 None parabolic box sum 1045 1266 7.31504 7.72201 121.71455 12AlaH 10LysH 12AlaN 4.17194e+06 3.35966e+07 28.98097 35.63031 41.33022 1.00000 None parabolic box sum 1046 1267 7.31614 7.58065 121.68272 12AlaH 11LeuH 12AlaN 6.72169e+07 7.68633e+08 28.43499 42.27057 39.04361 1.00000 None parabolic box sum 1047 1268 7.31814 8.67210 121.67443 12AlaH 13GlyH 12AlaN 2.91976e+06 3.76848e+07 26.07763 55.16215 38.22786 1.00000 None parabolic box sum 1048 1270 7.85128 2.64536 122.13381 43LeuH 44AspHb2 43LeuN 1.42002e+06 1.64091e+07 33.27996 44.10157 37.76658 1.00000 None parabolic box sum 1049 1271 7.85324 2.27923 122.12253 43LeuH 41GluHga 43LeuN 1.34513e+06 1.50551e+07 25.19220 56.92522 35.42984 1.00000 None parabolic box sum 1050 1272 7.85181 1.28145 122.15156 43LeuH 40ThrHg2* 43LeuN 2.43465e+06 2.42787e+07 27.57818 43.39386 38.92142 1.00000 None parabolic box sum 1051 1273 8.09664 8.93623 121.64383 55AspH 58ThrH 55AspN 1.71566e+07 3.03385e+08 29.76507 91.37322 39.02775 1.00000 None parabolic box sum 1052 1274 8.10066 7.39273 121.66715 55AspH 54PheHd* 55AspN 1.25762e+07 1.90373e+08 32.13286 57.38445 40.71003 1.00000 None parabolic box sum 1053 1275 8.10092 7.22831 121.66929 55AspH 60LeuH 55AspN 4.32026e+06 5.44661e+07 27.35674 51.55392 37.95707 1.00000 None parabolic box sum 1054 1277 8.10063 4.10349 121.65359 55AspH 54PheHa 55AspN 1.20867e+08 1.57540e+09 30.33727 49.93661 39.96491 1.00000 None parabolic box sum 1055 1278 8.10166 3.84980 121.64227 55AspH 59AlaHa 55AspN 3.24898e+06 2.36154e+07 30.13790 27.79953 40.23153 1.00000 None parabolic box sum 1056 1279 8.10071 3.28394 121.65614 55AspH 55AspHbb 55AspN 1.21624e+07 1.58883e+08 29.36989 51.28126 39.41363 1.00000 None parabolic box sum 1057 1281 8.10045 2.68729 121.65397 55AspH 54PheHba 55AspN 3.11872e+07 5.06451e+08 30.71249 126.38748 40.07560 1.00000 None parabolic box sum 1058 1282 8.10426 2.04327 121.70438 55AspH 57LeuHbb 55AspN 2.57288e+06 3.10633e+07 41.87196 49.43060 36.65024 1.00000 None parabolic box sum 1059 1283 8.10049 1.40825 121.66730 55AspH 59AlaHb* 55AspN 7.62167e+06 9.28748e+07 29.53202 47.92554 39.62725 1.00000 None parabolic box sum 1060 1284 8.10039 1.24462 121.65372 55AspH 58ThrHg2* 55AspN 8.78011e+06 1.12513e+08 29.14667 49.91577 39.20346 1.00000 None parabolic box sum 1061 1285 8.10380 1.00927 121.69168 55AspH 57LeuHdb* 55AspN 3.07331e+06 4.01363e+07 34.37132 48.62382 44.53611 1.00000 None parabolic box sum 1062 1286 8.10068 0.11407 121.65552 55AspH 35LeuHda* 55AspN 3.82072e+06 4.95495e+07 29.27899 49.62404 40.19749 1.00000 None parabolic box sum 1063 1287 8.10068 0.00199 121.66973 55AspH 79IleHd1* 55AspN 3.45208e+06 4.43080e+07 32.00620 117.50418 42.75513 1.00000 None parabolic box sum 1064 1288 8.21508 3.11250 121.64761 87AlaH 82HisHbb 87AlaN 1.96823e+06 2.26244e+07 27.57430 53.58642 39.79808 1.00000 None parabolic box sum 1065 1289 8.21539 3.80324 121.63270 87AlaH 85ProHdb 87AlaN 2.99551e+06 4.66898e+07 46.75835 156.99425 39.48814 1.00000 None parabolic box sum 1066 1291 8.21256 6.99830 121.69451 87AlaH 49PheHe* 87AlaN 1.81696e+06 2.26303e+07 37.57596 56.73414 42.29528 1.00000 None parabolic box sum 1067 1293 8.25656 7.49136 121.84154 44AspH 47GluH 44AspN 3.57034e+06 5.20371e+07 40.12823 56.04491 46.53668 1.00000 None parabolic box sum 1068 1294 8.25526 4.49550 121.81825 44AspH 43LeuHa 44AspN 9.94039e+07 1.31150e+09 32.46218 49.17072 40.37267 1.00000 None parabolic box sum 1069 1295 8.25540 2.77315 121.81811 44AspH 44AspHbb 44AspN 4.51861e+07 6.06900e+08 30.87014 50.74458 40.28523 1.00000 None parabolic box sum 1070 1296 8.25456 2.63470 121.81041 44AspH 44AspHba 44AspN 4.25450e+07 6.04233e+08 31.86733 53.78733 40.70747 1.00000 None parabolic box sum 1071 1298 8.25436 0.82902 121.81947 44AspH 43LeuHda* 44AspN 1.57374e+07 2.76258e+08 30.19065 90.60658 40.46577 1.00000 None parabolic box sum 1072 1299 8.31941 1.74835 121.91669 57LeuH 57Leu(Hg/Hba) 57LeuN 6.90012e+07 9.41669e+08 30.52562 53.58995 39.97672 1.00000 None parabolic box sum 1073 1300 8.31777 1.41595 121.89607 57LeuH 59AlaHb* 57LeuN 5.47364e+06 7.29052e+07 84.68360 58.84547 42.62352 1.00000 None parabolic box sum 1074 1301 8.32575 1.25768 121.91692 41GluH 40ThrHg2* 41GluN 9.33440e+06 1.26113e+08 33.60242 53.14606 40.39866 1.00000 None parabolic box sum 1075 1302 8.31881 0.99041 121.91843 57LeuH 57LeuHdb* 57LeuN 1.33995e+07 2.40712e+08 71.17242 87.21903 39.38293 1.00000 None parabolic box sum 1076 1303 8.32015 3.28787 121.91157 41GluH 37TyrHbb 41GluN 7.61472e+06 9.69728e+07 28.85133 50.74183 38.22428 1.00000 None parabolic box sum 1077 1304 8.32027 7.22387 121.89582 57LeuH 60LeuH 57LeuN 2.66843e+06 3.80027e+07 29.00898 55.42842 35.54696 1.00000 None parabolic box sum 1078 1305 8.33693 3.84670 121.90755 41GluH 39SerHba 41GluN 7.32517e+06 8.89845e+07 32.20111 43.90459 39.82031 1.00000 None parabolic box sum 1079 1306 8.51201 1.39803 121.32789 89AlaH 89AlaHb* 89AlaN 1.10011e+08 1.52950e+09 32.02617 55.50509 39.87283 1.00000 None parabolic box sum 1080 1307 8.51444 1.09489 121.30472 89AlaH 92LeuHdb* 89AlaN 2.49582e+07 4.09542e+08 33.70851 79.21918 40.30591 1.00000 None parabolic box sum 1081 1308 8.51400 0.89634 121.32213 89AlaH 88ValHga* 89AlaN 2.20979e+07 3.39902e+08 33.66768 60.24358 40.02333 1.00000 None parabolic box sum 1082 1309 8.52018 0.76397 121.28750 89AlaH 92LeuHda* 89AlaN 1.43999e+07 2.21379e+08 36.16661 143.92800 40.96758 1.00000 None parabolic box sum 1083 1310 8.51041 2.31284 121.34464 89AlaH 88ValHb 89AlaN 4.30091e+07 6.07176e+08 30.24697 56.31188 39.29955 1.00000 None parabolic box sum 1084 1311 8.51318 2.07137 121.33513 89AlaH 90GluHga 89AlaN 9.16488e+06 1.60395e+08 35.42930 284.06899 39.50131 1.00000 None parabolic box sum 1085 1312 8.53233 1.91362 121.22511 24ArgH 24ArgHbb 24ArgN 5.66138e+07 8.56999e+08 30.64305 149.38246 39.86162 1.00000 None parabolic box sum 1086 1313 8.53193 1.78087 121.22804 24ArgH 24ArgHba 24ArgN 6.60142e+07 1.03981e+09 30.98726 141.16165 40.07918 1.00000 None parabolic box sum 1087 1314 8.51067 3.41902 121.35783 89AlaH 88ValHa 89AlaN 1.29924e+07 1.68147e+08 29.91855 50.12691 39.30318 1.00000 None parabolic box sum 1088 1315 8.53047 3.03556 121.23193 24ArgH 24ArgHd* 24ArgN 1.08121e+07 1.95561e+08 32.20469 107.52393 39.92152 1.00000 None parabolic box sum 1089 1316 8.51451 3.92758 121.31489 89AlaH 86HisHa 89AlaN 1.79006e+07 2.49170e+08 34.17164 168.99460 40.56060 1.00000 None parabolic box sum 1090 1317 8.53065 4.10654 121.23439 24ArgH 23ThrHa 24ArgN 5.20022e+07 7.70330e+08 31.75735 61.80722 40.31026 1.00000 None parabolic box sum 1091 1318 8.53470 3.75013 121.20559 24ArgH 24ArgHa 24ArgN 5.05585e+07 8.63926e+08 35.30920 79.22901 40.59577 1.00000 None parabolic box sum 1092 1319 8.51251 6.59264 121.34786 89AlaH 49PheHz 89AlaN 3.02943e+06 4.00683e+07 32.52715 48.21492 41.77505 1.00000 None parabolic box sum 1093 1320 8.53479 1.57037 121.21945 24ArgH 21AlaHb* 24ArgN 5.52899e+06 7.58950e+07 27.15856 57.90068 38.14369 1.00000 None parabolic box sum 1094 1321 8.73748 4.02748 121.48245 64AspH 62LeuHa 64AspN 2.97135e+06 4.05876e+07 27.86398 156.67224 36.88926 1.00000 None parabolic box sum 1095 1322 8.73944 6.81759 121.50106 64AspH 67GlnHe2a 64AspN 1.71353e+06 2.32378e+07 25.12127 56.98479 40.67761 1.00000 None parabolic box sum 1096 1323 8.73693 7.37249 121.48412 64AspH 67GlnHe2b 64AspN 2.17654e+06 2.80462e+07 28.84358 47.71677 43.23459 1.00000 None parabolic box sum 1097 1324 8.73888 0.24734 121.51842 64AspH 62LeuHda* 64AspN 1.25806e+06 1.68085e+07 27.76384 54.96369 39.61080 1.00000 None parabolic box sum 1098 1325 8.86018 0.62647 122.50005 31AlaH 35LeuHdb* 31AlaN 1.69478e+06 1.46459e+07 27.18091 30.84935 38.24234 1.00000 None parabolic box sum 1099 1326 8.86071 2.95235 122.51068 31AlaH 29AspHbb 31AlaN 3.19444e+06 3.40411e+07 27.89408 47.09556 39.60538 1.00000 None parabolic box sum 1100 1327 8.85985 3.85231 122.53213 31AlaH 32AlaHa 31AlaN 2.83707e+06 2.75412e+07 26.37535 36.37537 37.72265 1.00000 None parabolic box sum 1101 1329 8.85973 7.02430 122.54003 31AlaH 49PheHe* 31AlaN 2.67337e+06 4.17079e+07 29.22714 68.80743 42.65505 1.00000 None parabolic box sum 1102 1330 8.86223 8.00549 122.48307 31AlaH 34ValH 31AlaN 2.97594e+06 3.09953e+07 32.20707 42.00528 40.33077 1.00000 None parabolic box sum 1103 1332 8.87649 7.63467 123.65285 67GlnH 70ThrH 67GlnN 3.44963e+06 4.51273e+07 29.47271 59.05591 37.69737 1.00000 None parabolic box sum 1104 1333 8.87805 7.37700 123.63925 67GlnH 67GlnHe2b 67GlnN 7.56490e+06 9.99778e+07 30.17992 51.95928 38.45370 1.00000 None parabolic box sum 1105 1335 8.87622 6.81827 123.60950 67GlnH 67GlnHe2a 67GlnN 3.66031e+06 4.63818e+07 28.02879 48.49073 39.88171 1.00000 None parabolic box sum 1106 1336 8.87814 4.38836 123.62377 67GlnH 64AspHa 67GlnN 1.33272e+07 1.97070e+08 30.59268 63.82733 40.30704 1.00000 None parabolic box sum 1107 1337 8.87763 4.16003 123.64142 67GlnH 67GlnHa 67GlnN 3.80866e+07 5.24072e+08 30.64245 55.82670 38.34090 1.00000 None parabolic box sum 1108 1338 8.87593 3.95157 123.64874 67GlnH 68ThrHa 67GlnN 3.19681e+06 4.20843e+07 28.44602 56.44870 40.29465 1.00000 None parabolic box sum 1109 1339 8.87729 3.62517 123.61937 67GlnH 63ArgHa 67GlnN 5.49340e+06 7.78104e+07 29.06859 58.88950 38.83961 1.00000 None parabolic box sum 1110 1341 8.87770 2.85751 123.62230 67GlnH 67GlnHgb 67GlnN 3.12669e+07 4.37369e+08 30.19035 55.36591 39.99150 1.00000 None parabolic box sum 1111 1342 8.87782 2.55511 123.62230 67GlnH 67GlnHga 67GlnN 3.67180e+07 6.40221e+08 30.08306 83.21891 40.13151 1.00000 None parabolic box sum 1112 1343 8.87775 2.27918 123.62722 67GlnH 67GlnHba 67GlnN 2.55512e+07 3.72401e+08 30.23744 56.48369 40.06919 1.00000 None parabolic box sum 1113 1344 8.87737 2.02144 123.65029 67GlnH 66LeuHbb 67GlnN 1.95679e+07 2.75834e+08 30.08813 58.93590 37.37238 1.00000 None parabolic box sum 1114 1346 8.87821 3.22012 123.64211 67GlnH 65HisHba 67GlnN 3.43765e+06 4.98774e+07 29.79070 65.21365 37.34991 1.00000 None parabolic box sum 1115 1347 8.87747 1.53166 123.65331 67GlnH 69AlaHb* 67GlnN 1.19732e+07 1.60386e+08 29.97726 53.13506 37.66173 1.00000 None parabolic box sum 1116 1348 8.87785 1.28059 123.62750 67GlnH 68ThrHg2* 67GlnN 4.90387e+06 7.09396e+07 28.92315 103.31583 37.95916 1.00000 None parabolic box sum 1117 1349 8.87758 1.07034 123.63044 67GlnH 66LeuHdb* 67GlnN 1.29673e+07 1.78397e+08 29.89322 54.06884 40.18122 1.00000 None parabolic box sum 1118 1352 9.00484 2.18637 123.61200 59AlaH 61GluHga 59AlaN 1.64540e+06 2.30928e+07 24.93784 60.15512 36.99404 1.00000 None parabolic box sum 1119 1353 9.00606 2.04773 123.55824 59AlaH 57LeuHbb 59AlaN 4.99315e+06 7.46203e+07 27.65954 152.36977 38.87123 1.00000 None parabolic box sum 1120 1354 9.00626 1.92842 123.58357 59AlaH 60LeuHbb 59AlaN 7.75832e+06 1.15937e+08 27.59516 68.04527 39.60598 1.00000 None parabolic box sum 1121 1355 9.00745 1.76063 123.56361 59AlaH 57LeuHba 59AlaN 4.94474e+06 6.27179e+07 28.72333 59.16236 38.19540 1.00000 None parabolic box sum 1122 1356 9.00575 1.40637 123.58097 59AlaH 59AlaHb* 59AlaN 1.06322e+08 1.38501e+09 28.29254 49.52064 40.19508 1.00000 None parabolic box sum 1123 1357 9.00639 1.25497 123.58102 59AlaH 58ThrHg2* 59AlaN 1.09479e+07 9.78230e+07 28.42844 46.37173 40.48243 1.00000 None parabolic box sum 1124 1358 9.00626 1.00895 123.58499 59AlaH 34ValHgb* 59AlaN 4.82479e+06 7.56519e+07 27.16869 69.88531 39.55004 1.00000 None parabolic box sum 1125 1359 9.00678 0.63082 123.59171 59AlaH (35Leu/79Ile)(Hdb*/Hg1b) 59AlaN 2.69806e+06 3.50281e+07 24.76141 49.48053 41.02916 1.00000 None parabolic box sum 1126 1360 9.00567 2.82399 123.60442 59AlaH 54PheHbb 59AlaN 3.13118e+06 4.61779e+07 28.53096 58.12714 44.05597 1.00000 None parabolic box sum 1127 1361 9.00516 2.68305 123.56916 59AlaH 54PheHba 59AlaN 6.55548e+06 9.66819e+07 27.17361 59.27796 39.06494 1.00000 None parabolic box sum 1128 1362 9.17576 7.37854 124.72862 74LeuH 67GlnHe2b 74LeuN 2.03125e+06 2.40712e+07 26.77932 46.50698 36.33764 1.00000 None parabolic box sum 1129 1364 9.17486 6.82557 124.71118 74LeuH 67GlnHe2a 74LeuN 2.64856e+06 3.74663e+07 31.99235 57.66635 40.54773 1.00000 None parabolic box sum 1130 1365 9.17377 4.40755 124.68993 74LeuH 72LeuHa 74LeuN 4.23040e+06 4.97133e+07 32.94811 40.19935 40.51301 1.00000 None parabolic box sum 1131 1366 9.17616 4.17075 124.66686 74LeuH 67GlnHa 74LeuN 3.11490e+06 4.12699e+07 32.72891 52.07271 39.44263 1.00000 None parabolic box sum 1132 1367 9.17380 1.24101 124.68668 74LeuH 72LeuHba 74LeuN 2.26825e+06 3.78472e+07 33.61836 261.52733 38.71959 1.00000 None parabolic box sum 1133 1368 9.17390 1.05877 124.68820 74LeuH 78LeuHdb* 74LeuN 2.70149e+06 2.05872e+07 35.21681 28.51431 38.98400 1.00000 None parabolic box sum 1134 1369 7.99684 0.62562 120.74482 34ValH 35LeuHdb* 34ValN 3.84331e+06 3.96770e+07 30.01571 35.53556 41.04394 1.00000 None parabolic box sum 1135 1370 7.99806 0.24187 120.74399 34ValH 62LeuHda* 34ValN 2.18596e+06 2.38721e+07 29.79726 36.84717 43.46603 1.00000 None parabolic box sum 1136 1371 7.99658 0.11591 120.76864 34ValH 35LeuHda* 34ValN 3.08919e+06 3.80058e+07 31.44532 46.22154 38.74850 1.00000 None parabolic box sum 1137 1372 7.99689 1.01119 120.76925 34ValH 34ValHgb* 34ValN 2.62492e+07 2.91356e+08 29.33860 39.81443 39.56139 1.00000 None parabolic box sum 1138 1373 7.99674 0.87842 120.76329 34ValH 34ValHga* 34ValN 7.57582e+07 1.01807e+09 29.39522 51.53131 40.41553 1.00000 None parabolic box sum 1139 1375 7.99732 1.41534 120.76573 34ValH 35LeuHbb 34ValN 8.36021e+06 1.25663e+08 28.10776 108.46990 39.87920 1.00000 None parabolic box sum 1140 1378 7.99662 1.66957 120.77962 34ValH 31AlaHb* 34ValN 4.98600e+06 6.68534e+07 31.86941 50.19139 42.59139 1.00000 None parabolic box sum 1141 1379 7.99665 2.24895 120.76370 34ValH 34ValHb 34ValN 6.48931e+07 8.90402e+08 29.25336 53.60883 40.18617 1.00000 None parabolic box sum 1142 1380 7.99815 1.51583 120.80158 34ValH 32AlaHb* 34ValN 6.18643e+06 8.69642e+07 28.90140 120.50879 59.70961 1.00000 None parabolic box sum 1143 1382 7.99724 4.30931 120.81439 34ValH 33SerHa 34ValN 1.23030e+07 1.44019e+08 29.58745 52.22015 43.01012 1.00000 None parabolic box sum 1144 1383 7.99677 4.18026 120.75148 34ValH 31AlaHa 34ValN 1.47319e+07 2.00442e+08 29.59669 142.19412 40.61025 1.00000 None parabolic box sum 1145 1384 7.99679 4.05478 120.76921 34ValH 33SerHba 34ValN 4.92413e+07 6.94579e+08 29.16723 55.40955 39.77007 1.00000 None parabolic box sum 1146 1385 7.99821 3.87895 120.65641 34ValH 32AlaHa 34ValN 4.46949e+06 5.43620e+07 30.53814 39.56044 134.00984 1.00000 None parabolic box sum 1147 1386 7.99654 3.71959 120.76748 34ValH 34ValHa 34ValN 4.05775e+07 5.07252e+08 29.33353 45.42734 40.29584 1.00000 None parabolic box sum 1148 1387 7.99868 7.08521 120.82176 34ValH 37TyrHd* 34ValN 2.22635e+06 3.45786e+07 26.32797 141.92617 49.07793 1.00000 None parabolic box sum 1149 1388 7.99485 7.66872 120.81072 34ValH 33SerH 34ValN 5.42420e+07 8.60719e+08 29.78802 63.37194 41.44758 1.00000 None parabolic box sum 1150 1389 7.99576 7.35463 120.77615 34ValH 54PheHz 34ValN 4.97617e+06 6.60961e+07 29.74510 49.48368 57.34450 1.00000 None parabolic box sum 1151 1390 7.99646 7.20821 120.74537 34ValH 54PheHe* 34ValN 2.90062e+06 4.52077e+07 28.12743 129.11215 40.91358 1.00000 None parabolic box sum 1152 1391 7.99779 8.73886 120.80493 34ValH 32AlaH 34ValN 4.02496e+06 3.61788e+07 26.39741 36.23992 37.61411 1.00000 None parabolic box sum 1153 1392 7.99724 8.87273 120.73336 34ValH 31AlaH 34ValN 2.11820e+06 1.55687e+07 27.34274 29.20025 39.97254 1.00000 None parabolic box sum 1154 1393 8.75805 2.97033 120.12011 50LysH 51AspHbb 50LysN 1.98969e+06 3.47823e+07 30.05028 71.15132 58.83485 1.00000 None parabolic box sum 1155 1395 8.75701 2.30991 120.25412 50LysH 47GluHga 50LysN 1.93268e+06 2.94381e+07 35.56222 56.65354 103.67835 1.00000 None parabolic box sum 1156 1396 8.76382 8.73136e-05 120.14079 50LysH 79IleHd1* 50LysN 1.34428e+06 1.86254e+07 31.16667 51.75739 41.78149 1.00000 None parabolic box sum 1157 1398 8.75107 0.77798 120.29794 50LysH 52LeuHda* 50LysN 1.76165e+06 2.00485e+07 32.97597 96.43849 26.01868 1.00000 None parabolic box sum 1158 1399 8.76223 1.00808 120.14651 50LysH 52LeuHdb* 50LysN 2.13131e+06 2.59556e+07 31.31479 54.21274 36.89378 1.00000 None parabolic box sum 1159 1400 7.94247 3.19078 120.02554 20ArgH 20ArgHda 20ArgN 1.14604e+07 2.01813e+08 45.24618 74.55146 43.23089 1.00000 None parabolic box sum 1160 1402 7.55382 3.84225 123.85853 18GluH 19GlnHa 18GluN 3.81642e+06 3.36752e+07 27.26018 33.24573 39.83063 1.00000 None parabolic box sum 1161 1403 7.55412 4.39573 123.86292 18GluH 15ThrHa 18GluN 2.77236e+06 3.44164e+07 27.65626 49.41134 36.84485 1.00000 None parabolic box sum 1162 1404 7.55582 1.07572 123.86594 18GluH 22ValHgb* 18GluN 1.44908e+06 1.71808e+07 26.32171 61.39203 39.67986 1.00000 None parabolic box sum 1163 1405 7.32569 0.65169 123.72985 78LeuH 79IleHg1b 78LeuN 1.88764e+06 2.33751e+07 25.90179 65.41850 39.76974 1.00000 None parabolic box sum 1164 1408 7.55091 6.68559 118.50044 80PheH 82HisHd2 80PheN 2.19444e+06 2.59497e+07 30.39509 49.00578 37.61184 1.00000 None parabolic box sum 1165 1409 7.55215 7.31151 118.47582 80PheH 78LeuH 80PheN 4.96454e+06 5.64799e+07 37.63825 55.60751 49.01135 1.00000 None parabolic box sum 1166 1410 8.59542 7.68870 111.20674 71GlyH 72LeuH 71GlyN 3.58757e+07 6.99854e+08 31.87656 111.58254 39.59656 1.00000 None None box sum 1167 1411 7.74665 7.03373 106.96289 36GlyH 37TyrHd* 36GlyN 3.32819e+06 3.86640e+07 30.70861 46.39100 37.98878 1.00000 None parabolic box sum 1168 1412 8.73399 8.88166 118.82212 66LeuH 67GlnH 66LeuN 4.16368e+07 2.91012e+08 28.77712 31.83862 55.90338 1.00000 None parabolic box sum 1169 1413 7.93329 7.78042 117.21495 27ValH 26LeuH 27ValN 2.89296e+07 2.61113e+08 30.57569 49.71123 41.04835 1.00000 None parabolic box sum 1170 1414 7.76755 7.63832 119.54552 26LeuH 25LysH 26LeuN 4.23549e+07 5.40865e+08 134.74256 141.76458 43.32179 1.00000 None parabolic box sum 1171 1415 7.96995 7.83817 111.36904 8ThrH 9SerH 8ThrN 1.69786e+07 1.20645e+08 30.20138 25.12744 44.94047 1.00000 None parabolic box sum 1172 1418 7.35441 9.11185 120.01394 14LeuH 19GlnH 14LeuN 2.14343e+06 3.00302e+07 28.29492 53.95315 38.02049 1.00000 None parabolic box sum 1173 1419 7.35536 8.78126 119.97842 14LeuH 15ThrH 14LeuN 8.42232e+06 1.08529e+08 28.87547 110.87394 38.33234 1.00000 None parabolic box sum 1174 1420 7.35540 8.66940 119.98959 14LeuH 13GlyH 14LeuN 6.44974e+06 9.31529e+07 28.87100 121.50292 39.96485 1.00000 None parabolic box sum 1175 1421 7.44071 7.58767 114.41452 95GlnH 94GluH 95GlnN 3.83043e+07 2.53170e+08 27.46999 27.15129 38.12528 1.00000 None parabolic box sum 1176 1424 7.97454 7.66984 119.70872 81AspH 82HisH 81AspN 4.49796e+07 7.67389e+08 37.27853 130.12309 50.81677 1.00000 None None box sum 1177 1425 7.97232 7.54998 119.70872 81AspH 80PheH 81AspN 7.71031e+07 1.06735e+09 30.73543 61.95515 39.94262 1.00000 None None box sum 1178 1426 7.74510 8.01066 106.96163 36GlyH 34ValH 36GlyN 6.74701e+06 3.19973e+07 31.70729 22.76340 40.81595 1.00000 None parabolic box sum 1179 1427 7.96509 7.70915 111.39896 8ThrH 10LysH 8ThrN 5.06258e+06 5.03872e+07 32.90653 33.97457 43.64300 1.00000 None parabolic box sum 1180 1428 7.66250 8.22169 111.53781 33SerH 37TyrH 33SerN 2.69311e+06 2.62707e+07 29.75821 34.35811 41.72432 1.00000 None parabolic box sum 1181 1430 7.80595 7.67599 115.06643 90GluH 91HisH 90GluN 2.12398e+07 2.14228e+08 30.00319 35.95880 42.96368 1.00000 None parabolic box sum 1182 1431 7.99549 7.74582 117.07461 23ThrH 26LeuH 23ThrN 6.18099e+06 1.07288e+08 82.01778 119.76363 99.10309 1.00000 None parabolic box sum 1183 1432 7.92830 7.64268 117.28167 27ValH 25LysH 27ValN 5.76060e+06 1.02183e+08 44.12949 137.31654 80.19423 1.00000 None parabolic box sum 1184 1433 8.25700 7.63139 117.44278 68ThrH 70ThrH 68ThrN 7.45856e+06 1.19241e+08 36.66401 53.76138 64.48054 1.00000 None parabolic box sum 1185 1435 7.71563 7.83757 118.84572 91HisH 90GluH 91HisN 2.17780e+07 1.94254e+08 29.64318 32.06179 35.02643 1.00000 None parabolic box sum 1186 1438 8.28413 7.71179 119.14398 7LeuH 10LysH 7LeuN 4.69881e+06 1.01101e+08 285.96610 107.72740 119.96132 1.00000 None parabolic box sum 1187 1439 7.76178 8.54685 119.53041 26LeuH 24ArgH 26LeuN 3.68018e+06 6.25902e+07 26.71063 80.17714 37.04721 1.00000 None None box sum 1188 1440 7.63204 7.06359 119.48888 63ArgH 63ArgHe 63ArgN 4.53126e+06 4.27062e+07 27.19909 34.96821 38.31559 1.00000 None parabolic box sum 1189 1444 7.94059 7.69015 119.96992 20ArgH 21AlaH 20ArgN 3.76261e+07 6.09017e+08 50.46189 54.98443 46.75299 1.00000 None None box sum 1190 1445 7.70042 7.85790 120.66132 10LysH 9SerH 10LysN 9.89152e+06 -2.50092e+07 26.25227 34.94088 37.31835 1.00000 None parabolic box sum 1191 1446 7.99929 7.63543 120.81072 34ValH 35LeuH 34ValN 5.33357e+07 8.48512e+08 29.58864 64.54507 41.32110 1.00000 None None box sum 1192 1447 8.74076 8.62939 121.51090 64AspH 65HisH 64AspN 1.27157e+07 1.46001e+08 29.14488 135.55681 40.14516 1.00000 None parabolic box sum 1193 1448 8.32526 8.09196 121.89247 57LeuH 55AspH 57LeuN 7.54017e+06 5.06969e+07 72.47090 26.64606 43.21206 1.00000 None parabolic box sum 1194 1449 8.86049 9.22872 122.53532 31AlaH 29AspH 31AlaN 4.40985e+06 2.21401e+07 32.43238 37.22668 37.99623 1.00000 None parabolic box sum 1195 1450 7.55388 7.94427 123.86488 18GluH 20ArgH 18GluN 4.05297e+06 4.52172e+07 29.40059 51.26052 40.12743 1.00000 None parabolic box sum 1196 1453 7.37565 8.74205 108.28893 67GlnHe2b 66LeuH 67GlnNe2 2.14860e+06 2.31168e+07 28.66596 31.73055 52.37806 1.00000 None parabolic box sum 1197 1454 7.37702 8.26570 108.31527 67GlnHe2b 68ThrH 67GlnNe2 3.42804e+06 4.39191e+07 29.27244 48.75091 40.49456 1.00000 None parabolic box sum 1198 1455 7.85003 8.31900 122.17235 43LeuH 42SerH 43LeuN 1.47834e+07 2.38624e+08 30.25502 74.38043 38.76907 1.00000 None None box sum 1199 1456 7.73332 4.33617 102.75502 53GlyH 52LeuHa 53GlyN 2.36505e+07 5.06888e+08 30.76732 101.03465 42.67240 1.00000 None None box sum 1200 1457 8.43381 8.09166 117.81613 46HisH 45ThrH 46HisN 6.45132e+06 8.97362e+07 252.22450 45.86189 49.84474 1.00000 None parabolic box sum 1201 1458 7.63259 4.22700 115.38707 93LeuH 91HisHa 93LeuN 3.62135e+06 5.22102e+07 51.77379 45.50479 54.56579 1.00000 None None box sum 1202 1459 7.71260 7.57774 118.87102 91HisH 93LeuH 91HisN 1.34557e+07 1.36954e+08 31.99697 26.42215 88.75662 1.00000 None parabolic box sum 1203 1460 7.80627 8.41286 115.07950 90GluH 92LeuH 90GluN 3.70805e+06 7.34422e+07 35.20191 146.41786 41.21006 1.00000 None None box sum 1204 1461 7.80432 3.76817 115.07950 90GluH 89AlaHa 90GluN 5.02572e+06 1.16088e+08 29.83928 137.47922 38.91045 1.00000 None None box sum 1205 1463 8.46665 4.47283 115.69091 86HisH 84ThrHa 86HisN 3.77246e+06 7.52476e+07 30.28780 124.22818 41.03982 1.00000 None None box sum 1206 1464 7.30836 4.38888 109.58141 84ThrH 84ThrHb 84ThrN 1.04089e+07 2.57592e+08 29.55824 113.37707 39.37018 1.00000 None None box sum 1207 1465 7.97269 8.27063 119.83288 20ArgH 17ThrH 20ArgN -8.58650e+06 -9.81409e+07 43.87558 46.70652 28.31614 1.00000 None parabolic box sum 1208 1467 7.98031 4.51968 119.72366 81AspH 80PheHa 81AspN 1.37277e+07 1.86582e+08 28.90080 47.77496 48.68430 1.00000 None None box sum 1209 1468 7.97447 4.11843 119.72366 81AspH 81AspHa 81AspN 2.86163e+07 4.57895e+08 31.23730 61.18444 55.72289 1.00000 None None box sum 1210 1469 7.97057 3.87300 119.72366 81AspH 79IleHa 81AspN 7.88538e+06 1.86533e+08 51.21410 59.54099 67.04015 1.00000 None None box sum 1211 1470 7.83930 7.58235 110.80811 77ThrH 80PheH 77ThrN 4.02060e+06 1.71271e+07 28.95206 21.90787 38.30421 1.00000 None parabolic box sum 1212 1472 9.17487 4.85676 124.70280 74LeuH 74LeuHa 74LeuN 2.79118e+07 9.07857e+08 31.89728 111.80320 39.39542 1.00000 None None box sum 1213 1473 8.59146 8.26274 111.24704 71GlyH 68ThrH 71GlyN 3.42330e+06 3.48278e+07 32.71252 39.72499 38.93328 1.00000 None parabolic box sum 1214 1474 8.87979 4.50977 123.64066 67GlnH 65HisHa 67GlnN 2.79708e+06 5.81437e+07 28.04786 285.18441 41.77544 1.00000 None None box sum 1215 1475 8.25961 8.62094 117.36069 68ThrH 65HisH 68ThrN 3.06935e+06 -2.66209e+06 25.95305 19.38715 36.43882 1.00000 None parabolic box sum 1216 1476 8.25958 3.58394 117.30842 68ThrH 65HisHbb 68ThrN 2.25433e+06 3.76120e+07 29.54721 70.37284 44.52318 1.00000 None parabolic box sum 1217 1477 8.65495 4.13423 119.55834 65HisH 61GluHa 65HisN 1.20784e+07 2.38650e+08 27.30668 121.13393 41.38350 1.00000 None None box sum 1218 1479 8.43371 4.14160 117.86487 62LeuH {*}H* 62LeuN 2.66861e+07 5.31095e+08 29.66523 109.33409 42.58317 1.00000 None None box sum 1219 1481 8.32290 7.67762 121.92925 57LeuH 61GluH 57LeuN 2.84010e+06 4.01999e+07 49.27784 47.44165 52.88142 1.00000 None parabolic box sum 1220 1482 8.32587 4.90035 121.96276 57LeuH 55AspHa 57LeuN 5.51483e+06 8.97436e+07 33.77229 152.45430 40.42602 1.00000 None None box sum 1221 1483 8.10054 8.99661 121.64383 55AspH 59AlaH 55AspN 1.35887e+07 2.48573e+08 30.78789 97.00731 39.53183 1.00000 None None box sum 1222 1484 8.10363 4.38660 119.12733 54PheH 53GlyHab 54PheN 1.36990e+07 2.70242e+08 140.41245 114.78422 38.09881 1.00000 None None box sum 1223 1485 8.76120 4.42504 120.10794 50LysH 48SerHbb 50LysN 6.79993e+06 1.82875e+08 29.92898 114.52827 39.42311 1.00000 None None box sum 1224 1486 8.21887 4.48038 119.18523 49PheH (80Phe/84Thr)Ha 49PheN 2.32953e+07 3.43952e+08 30.96014 166.45433 40.61222 1.00000 None None box sum 1225 1488 7.67074 4.13719 111.56609 33SerH 30GlnHa 33SerN 1.44977e+07 4.30353e+08 28.47791 126.61473 41.65971 1.00000 None None box sum 1226 1489 8.73398 4.17819 118.59401 32AlaH 31AlaHa 32AlaN 1.64560e+07 3.05301e+08 28.08362 140.60492 56.68592 1.00000 None None box sum 1227 1490 7.76978 3.72021 119.55808 26LeuH 22ValHa 26LeuN 9.04418e+06 2.02639e+08 28.22608 120.15454 39.68281 1.00000 None None box sum 1228 1491 7.94139 3.97361 120.03262 20ArgH 17ThrHa 20ArgN 1.24510e+07 2.80866e+08 29.89203 126.66348 39.63715 1.00000 None None box sum 1229 1493 8.66692 4.10998 109.39019 13GlyH 12AlaHa 13GlyN 8.93811e+06 1.26286e+08 41.86302 55.21532 39.51681 1.00000 None parabolic box sum 1230 1494 9.00823 1.52511 123.93596 16AlaH 16AlaHb* 16AlaN 6.51041e+06 8.42022e+07 37.24873 49.14437 36.46812 1.00000 None parabolic box sum 1231 1495 7.62137 8.87152 101.55304 70ThrH 67GlnH 70ThrN 1.64464e+06 1.52236e+07 30.06697 34.54231 36.20338 1.00000 None parabolic box sum 1232 1496 7.62514 0.89049 101.37186 70ThrH {*}(Hd*/Hda*/Hba) 70ThrN 7.18229e+06 1.53280e+08 32.87524 146.30354 42.65356 1.00000 None None box sum 1233 1497 7.73351 0.10878 102.88897 53GlyH 35LeuHda* 53GlyN 1.90638e+06 2.06635e+07 28.59354 46.03950 32.75526 1.00000 None parabolic box sum 1234 1498 7.74483 1.51985 106.84953 36GlyH 32AlaHb* 36GlyN 3.42373e+06 5.35948e+07 29.50996 141.24461 41.20135 1.00000 None None box sum 1235 1499 7.74509 1.00478 106.96580 36GlyH 34ValHgb* 36GlyN 2.81490e+06 3.40281e+07 28.89454 132.06880 37.40072 1.00000 None parabolic box sum 1236 1500 7.57250 4.53146 108.60525 79IleH 80PheHa 79IleN 2.25995e+06 2.51379e+07 32.94080 40.37863 41.04495 1.00000 None parabolic box sum 1237 1501 7.30889 6.59041 109.58261 84ThrH 49PheHz 84ThrN 2.78920e+06 3.24117e+07 31.69388 44.63195 40.65931 1.00000 None parabolic box sum 1238 1502 7.30359 4.07553 109.57358 84ThrH 85ProHa 84ThrN 2.02677e+06 2.43407e+07 27.15290 138.19439 34.57475 1.00000 None parabolic box sum 1239 1504 7.30451 2.04878 109.67578 84ThrH 83ProHgb 84ThrN 5.57930e+06 1.13991e+08 29.58387 123.72257 38.23185 1.00000 None None box sum 1240 1505 8.66890 7.35439 109.34754 13GlyH 14LeuH 13GlyN 1.92624e+06 2.64906e+07 35.84921 53.27109 43.51580 1.00000 None parabolic box sum 1241 1506 8.66576 3.84376 109.39572 13GlyH 13GlyHaa 13GlyN 4.09380e+06 5.62883e+07 39.68298 54.05901 40.70246 1.00000 None parabolic box sum 1242 1507 8.66707 1.45232 109.34144 13GlyH 11LeuHba 13GlyN 2.65049e+06 3.43295e+07 45.28701 48.61359 39.19744 1.00000 None parabolic box sum 1243 1508 6.57043 7.57153 112.46383 95GlnHe2b 94GluH 95GlnNe2 2.05146e+06 2.78240e+07 22.58241 134.70589 38.39970 1.00000 None parabolic box sum 1244 1509 6.56817 4.06405 112.47788 95GlnHe2b 94GluHa 95GlnNe2 1.43424e+06 1.17445e+07 23.32687 30.10430 38.23864 1.00000 None parabolic box sum 1245 1510 7.07686 1.64274 111.93151 30GlnHe2b 26LeuHg 30GlnNe2 2.32704e+06 4.03751e+07 29.47092 132.16945 45.28344 1.00000 None None box sum 1246 1511 7.83780 9.18206 110.69893 77ThrH 76SerH 77ThrN 1.39482e+06 1.85046e+07 30.62785 54.60807 36.83281 1.00000 None parabolic box sum 1247 1512 7.84058 7.10573 110.78507 77ThrH 80PheHd* 77ThrN 1.84184e+06 2.16544e+07 30.88713 41.08968 51.35119 1.00000 None parabolic box sum 1248 1513 7.84208 1.01328 110.73537 77ThrH 60LeuHda* 77ThrN 2.93091e+06 2.86587e+07 30.63411 33.22096 40.00688 1.00000 None parabolic box sum 1249 1514 7.97148 1.94701 111.57079 8ThrH 10LysHbb 8ThrN 1.41204e+06 2.27706e+07 25.46996 336.02060 49.59965 1.00000 None None box sum 1250 1516 8.92627 3.98322 113.59568 58ThrH 56SerHa 58ThrN 2.17849e+06 1.14277e+07 29.17856 24.76346 41.05926 1.00000 None parabolic box sum 1251 1517 8.92508 2.19997 113.60694 58ThrH 61GluHga 58ThrN 2.09081e+06 1.97103e+07 29.27125 44.85606 37.95552 1.00000 None parabolic box sum 1252 1518 8.80899 3.79788 115.22158 48SerH 85ProHdb 48SerN 1.62538e+06 1.70029e+07 26.98332 40.74232 39.91485 1.00000 None parabolic box sum 1253 1519 8.81318 2.31115 115.27135 48SerH 47GluHga 48SerN 1.05380e+07 1.89679e+08 30.66421 104.25275 39.21163 1.00000 None None box sum 1254 1521 8.46241 6.99619 115.72736 86HisH 49PheHe* 86HisN 1.34117e+06 2.04889e+07 26.47132 58.49948 39.80374 1.00000 None parabolic box sum 1255 1522 8.46692 4.22327 115.75878 86HisH 87AlaHa 86HisN 1.70276e+06 8.33941e+06 26.96663 29.86328 44.41035 1.00000 None parabolic box sum 1256 1523 8.06188 8.26396 114.08962 45ThrH 44AspH 45ThrN 3.01739e+06 4.82711e+07 28.51605 57.78774 46.82338 1.00000 None parabolic box sum 1257 1524 8.05606 4.48465 113.90767 45ThrH 43LeuHa 45ThrN 1.44252e+06 2.00432e+07 27.81421 45.59444 51.50640 1.00000 None parabolic box sum 1258 1526 7.57265 2.26206 114.96292 11LeuH 19GlnHga 11LeuN 2.14626e+06 2.19179e+07 61.21755 44.79944 33.37502 1.00000 None parabolic box sum 1259 1527 7.57561 1.59929 115.03545 11LeuH 10LysHgb 11LeuN 8.02321e+06 1.43859e+08 30.25234 148.61381 38.23787 1.00000 None None box sum 1260 1528 7.63010 2.25089 115.20315 93LeuH 90GluHgb 93LeuN 3.07445e+06 3.20403e+07 32.69762 353.13100 25.57212 1.00000 None parabolic box sum 1261 1529 7.80425 1.81524 114.91699 90GluH 20ArgHba 90GluN 5.24770e+06 7.76227e+07 32.68778 95.71269 45.91817 1.00000 None None box sum 1262 1530 7.80183 0.90468 114.91699 90GluH 88ValHga* 90GluN 3.03981e+06 6.86617e+07 32.15790 151.29720 42.88596 1.00000 None None box sum 1263 1531 7.85567 1.28875 115.32592 9SerH 8ThrHg2* 9SerN 4.54555e+06 6.80340e+07 53.78991 153.72385 39.71827 1.00000 None parabolic box sum 1264 1532 7.85910 0.77708 115.27237 9SerH 11LeuHdb* 9SerN 2.19644e+06 3.65492e+07 221.05306 147.77243 48.20347 1.00000 None None box sum 1265 1535 9.00689 7.05688 123.62953 59AlaH 80PheHz 59AlaN 1.76313e+06 1.40590e+06 34.53717 25.78649 41.43521 1.00000 None parabolic box sum 1266 1536 8.75544 1.49026 124.19582 38AlaH 38AlaHb* 38AlaN 2.31174e+06 3.26703e+07 40.01290 52.03182 41.03774 1.00000 None parabolic box sum 1267 1537 8.86265 2.60029 122.43136 31AlaH 29AspHba 31AlaN 2.12300e+06 8.02238e+06 30.51072 59.79851 15.06847 1.00000 None parabolic box sum 1268 1539 8.86093 2.26151 122.45326 31AlaH 34ValHb 31AlaN 2.67660e+06 1.34289e+07 28.75656 35.50371 21.54553 1.00000 None parabolic box sum 1269 1540 8.73930 4.52951 121.47923 64AspH 65HisHa 64AspN 2.50244e+06 1.00502e+07 31.36724 22.78503 43.25503 1.00000 None parabolic box sum 1270 1541 8.74085 2.58228 121.46494 64AspH 67GlnHga 64AspN 1.88889e+06 1.83364e+07 26.86203 72.99843 39.08992 1.00000 None parabolic box sum 1271 1545 8.76042 7.39227 120.10403 50LysH 54PheHd* 50LysN 1.42685e+06 2.43750e+07 29.74480 58.92843 48.83116 1.00000 None parabolic box sum 1272 1546 8.76206 2.85155 120.02241 50LysH 51AspHba 50LysN 2.40706e+06 3.96027e+07 29.83868 171.79555 43.55729 1.00000 None None box sum 1273 1547 8.76288 1.76414 120.05780 50LysH 50LysHda 50LysN 2.38465e+06 4.08901e+07 37.49281 211.79635 53.47103 1.00000 None parabolic box sum 1274 1549 8.65372 1.52249 119.61513 65HisH 62LeuHba 65HisN 2.79590e+06 3.60908e+07 24.50138 61.05116 35.86119 1.00000 None parabolic box sum 1275 1550 8.73402 3.41249 118.94067 66LeuH 27ValHa 66LeuN 1.33561e+06 1.41734e+07 30.39032 35.26387 60.93079 1.00000 None parabolic box sum 1276 1551 8.51118 7.00071 121.39053 89AlaH 49PheHe* 89AlaN 1.59792e+06 1.91883e+07 27.72093 55.92460 35.23797 1.00000 None parabolic box sum 1277 1552 8.53409 3.10676 121.14401 24ArgH 24ArgHdb 24ArgN 8.69955e+06 1.45804e+08 31.92097 117.01154 40.13145 1.00000 None None box sum 1278 1553 8.51266 2.86884 121.33963 89AlaH 86HisHbb 89AlaN 2.27630e+06 2.70487e+07 37.86266 211.25967 38.80864 1.00000 None parabolic box sum 1279 1554 8.51069 2.70160 121.32332 89AlaH 86HisHba 89AlaN 1.68632e+06 2.13409e+07 36.15677 51.36422 39.30211 1.00000 None parabolic box sum 1280 1555 8.53409 1.25424 121.14401 24ArgH 23ThrHg2* 24ArgN 1.68934e+07 3.75662e+08 37.05442 260.87388 41.42356 1.00000 None None box sum 1281 1556 7.21814 4.01377 119.50564 60LeuH 56SerHa 60LeuN 2.41931e+06 2.39132e+07 28.81795 36.69934 40.42548 1.00000 None parabolic box sum 1282 1558 7.31864 8.99347 123.67551 78LeuH 75SerH 78LeuN 1.39109e+06 1.62652e+07 29.72692 45.06474 40.28302 1.00000 None parabolic box sum 1283 1560 7.31775 6.76719 121.72894 12AlaH 19GlnHe2a 12AlaN 1.74953e+06 5.46430e+06 26.86024 20.68157 40.10713 1.00000 None parabolic box sum 1284 1563 7.28321 6.55934 119.91522 96IleH 95GlnHe2b 96IleN 1.66797e+06 1.65891e+07 30.98369 38.14601 38.91188 1.00000 None parabolic box sum 1285 1564 7.48143 2.31327 121.76658 47GluH 47GluHga 47GluN 8.74168e+06 1.51293e+08 33.57679 99.60862 38.67000 1.00000 None None box sum 1286 1565 7.68385 2.44659 121.87545 21AlaH 19GlnHbb 21AlaN 2.28421e+06 4.50291e+07 26.53003 153.29726 37.77516 1.00000 None None box sum 1287 1566 7.68385 2.08092 121.87545 21AlaH 18GluHba 21AlaN 4.59468e+06 7.60173e+07 27.10968 236.97854 44.62773 1.00000 None None box sum 1288 1568 7.70325 8.28342 120.66787 10LysH 7LeuH 10LysN 1.34014e+06 1.25290e+07 33.97405 46.12079 33.46628 1.00000 None parabolic box sum 1289 1569 7.69645 4.31515 120.73230 10LysH 9SerHa 10LysN 1.24238e+07 2.57398e+08 29.65271 123.73633 36.11958 1.00000 None None box sum 1290 1570 7.55041 1.03222 118.53602 80PheH 78LeuHdb* 80PheN 1.86177e+06 2.15849e+07 26.67636 278.29842 36.07923 1.00000 None parabolic box sum 1291 1571 7.63501 2.74821 119.49356 63ArgH 64AspHba 63ArgN 2.01351e+06 2.12931e+07 26.48890 48.33995 37.54681 1.00000 None parabolic box sum 1292 1572 7.76808 2.97482 119.42673 26LeuH 29AspHbb 26LeuN 3.21768e+06 6.70713e+07 68.24285 71.30465 83.00388 1.00000 None None box sum 1293 1573 7.76609 1.92651 119.42673 26LeuH 25LysHba 26LeuN 1.85855e+07 4.07868e+08 31.75884 168.19843 46.65405 1.00000 None None box sum 1294 1574 7.76808 1.23656 119.42673 26LeuH 23ThrHg2* 26LeuN 7.19220e+06 1.16787e+08 110.59791 63.54111 48.41918 1.00000 None None box sum 1295 1575 7.69976 8.88046 119.61831 72LeuH 67GlnH 72LeuN 1.34923e+06 1.47184e+07 26.34317 47.21921 40.21263 1.00000 None parabolic box sum 1296 1576 7.70104 1.54863 119.49072 72LeuH 72LeuHbb 72LeuN 3.39154e+07 7.60636e+08 32.56291 114.09814 48.02668 1.00000 None None box sum 1297 1577 7.71245 2.35361 118.92598 91HisH 88ValHb 91HisN 3.86327e+06 2.49536e+07 31.24088 27.70281 41.74703 1.00000 None parabolic box sum 1298 1578 7.71180 0.90989 118.80423 91HisH 88ValHga* 91HisN 3.32937e+06 6.38910e+07 20.85268 51.24862 155.90620 1.00000 None None box sum 1299 1579 7.71405 0.76170 118.80423 91HisH 93LeuHda* 91HisN 5.84835e+06 1.12546e+08 25.15227 48.43509 95.50303 1.00000 None None box sum 1300 1580 7.65441 7.01131 117.78527 82HisH 49PheHe* 82HisN 2.27400e+06 2.15322e+07 24.42658 73.84120 42.01549 1.00000 None parabolic box sum 1301 1581 7.66231 6.94926 117.80171 82HisH 49PheHd* 82HisN 2.05833e+06 3.03631e+07 31.78239 78.68624 48.64717 1.00000 None parabolic box sum 1302 1582 7.66400 2.06833 117.52413 82HisH 81AspHba 82HisN 1.78329e+07 3.20113e+08 30.44993 170.88693 43.88326 1.00000 None None box sum 1303 1583 7.66464 0.63378 117.73318 82HisH 79IleHg1b 82HisN 1.52998e+06 1.84873e+07 29.67268 39.67446 55.78959 1.00000 None parabolic box sum 1304 1584 7.65067 1.98136 117.87398 25LysH 25LysHbb 25LysN 5.14793e+07 1.00746e+09 29.91974 198.89091 43.62142 1.00000 None None box sum 1305 1585 7.56741 1.22328 116.78543 94GluH 96IleHg1a 94GluN 3.54911e+06 4.92827e+07 70.11414 53.51014 41.19080 1.00000 None parabolic box sum 1306 1586 7.56680 1.07144 116.77751 94GluH 93LeuHdb* 94GluN 2.25719e+06 2.73599e+07 55.33636 53.96032 35.21794 1.00000 None parabolic box sum 1307 1587 7.61556 8.74760 116.47770 35LeuH 32AlaH 35LeuN 1.88566e+06 1.88033e+07 21.44158 42.45713 36.40401 1.00000 None parabolic box sum 1308 1589 7.62159 6.84344 116.43552 35LeuH 37TyrHe* 35LeuN 1.86606e+06 2.75720e+07 28.13578 68.56091 38.69206 1.00000 None parabolic box sum 1309 1590 7.61576 2.91654 116.38323 35LeuH 37TyrHba 35LeuN 1.86654e+06 2.53228e+07 32.46903 53.37057 44.77495 1.00000 None parabolic box sum 1310 1591 7.61776 1.67618 116.39952 35LeuH 31AlaHb* 35LeuN 3.44613e+06 3.12626e+07 32.68600 42.70542 40.84194 1.00000 None parabolic box sum 1311 1592 7.84994 7.02449 122.15461 43LeuH 37TyrHd* 43LeuN 1.65831e+06 1.55239e+07 26.59380 32.01176 40.36713 1.00000 None parabolic box sum 1312 1593 7.84788 6.82840 122.16538 43LeuH 37TyrHe* 43LeuN 1.41097e+06 1.89646e+07 34.91729 54.43409 43.34038 1.00000 None parabolic box sum 1313 1594 8.00588 6.91485 122.30698 51AspH 49PheHd* 51AspN 1.32753e+06 1.31521e+07 25.43002 59.92944 37.20146 1.00000 None parabolic box sum 1314 1596 8.01260 1.98656 122.33214 51AspH 50LysHbb 51AspN 1.42958e+07 2.34510e+08 28.97024 141.38065 44.79504 1.00000 None None box sum 1315 1597 8.19596 3.98652 123.42247 6LeuH 9SerHba 6LeuN 1.46246e+06 2.10266e+07 32.82100 53.76806 45.34405 1.00000 None parabolic box sum 1316 1598 8.22213 4.38025 121.57969 87AlaH 84ThrHb 87AlaN 7.23845e+06 6.63430e+07 33.61762 132.17928 39.82157 1.00000 None None box sum 1317 1599 8.21350 3.65647 121.57450 87AlaH 83ProHdb 87AlaN 1.33212e+06 1.96546e+07 30.36082 58.91152 50.78351 1.00000 None parabolic box sum 1318 1600 8.21390 1.00638 121.57969 87AlaH 84ThrHg2* 87AlaN 1.00228e+07 1.49534e+08 91.01242 63.65984 40.12400 1.00000 None None box sum 1319 1601 8.17537 6.84530 119.85116 37TyrH 37TyrHe* 37TyrN 1.90816e+06 1.75595e+07 25.66785 39.52840 35.70676 1.00000 None parabolic box sum 1320 1602 7.99653 2.08060 120.84197 34ValH 30GlnHbb 34ValN 4.10414e+06 3.54020e+07 33.18518 42.50765 33.26738 1.00000 None parabolic box sum 1321 1605 7.94080 2.84534 120.02554 20ArgH 19GlnHgb 20ArgN 7.15853e+06 1.15140e+08 50.33582 54.90039 50.68517 1.00000 None None box sum 1322 1606 7.93579 2.27499 120.02554 20ArgH 19GlnHga 20ArgN 3.37034e+06 7.23097e+07 23.45294 199.68236 82.32898 1.00000 None None box sum 1323 1607 7.93877 1.78182 120.02554 20ArgH 20Arg(Hba/Hgb) 20ArgN 3.20694e+07 6.66256e+08 29.84047 168.12098 40.32850 1.00000 None None box sum 1324 1608 7.94483 1.31651 119.92378 20ArgH 17ThrHg2* 20ArgN 3.47506e+06 5.70601e+07 41.58109 69.37419 87.78971 1.00000 None parabolic box sum 1325 1609 7.97826 4.95970 119.66564 81AspH 82HisHa 81AspN 2.42117e+06 2.48846e+07 26.47102 45.97561 34.14810 1.00000 None parabolic box sum 1326 1610 7.97454 4.38679 119.74197 81AspH 77ThrHa 81AspN 2.83436e+06 6.37899e+07 28.49191 44.55568 29.62768 1.00000 None parabolic box sum 1327 1612 7.98307 1.53519 119.85414 20ArgH 20ArgHga 20ArgN -7.12238e+06 1.20966e+07 18.27031 45.71592 11.41649 1.00000 None parabolic box sum 1328 1613 7.97780 1.14111 119.65265 81AspH 77ThrHg2* 81AspN 3.19619e+06 4.35182e+07 26.38698 115.13100 32.52858 1.00000 None parabolic box sum 1329 1615 7.98062 1.03601 119.58069 81AspH 78LeuHdb* 81AspN 2.83519e+06 2.52460e+07 25.25240 120.95779 21.93177 1.00000 None parabolic box sum 1330 1616 8.10452 2.83166 119.11835 54PheH 54PheHbb 54PheN 5.09349e+07 7.17742e+08 32.66037 56.18095 39.54083 1.00000 None parabolic box sum 1331 1617 8.10437 2.68033 119.12120 54PheH (54Phe/49Phe)Hb* 54PheN 4.52672e+07 6.21271e+08 31.61460 55.38910 39.53356 1.00000 None parabolic box sum 1332 1618 8.10605 2.30774 119.05011 54PheH 52LeuHbb 54PheN 1.18292e+07 1.88709e+08 90.61396 55.98436 42.48440 1.00000 None None box sum 1333 1619 8.10199 1.40932 119.11867 54PheH 59AlaHb* 54PheN 2.78867e+06 3.60590e+07 26.85189 155.34372 38.55795 1.00000 None parabolic box sum 1334 1620 8.10526 0.62844 119.11081 54PheH 35LeuHdb* 54PheN 3.87238e+06 4.31940e+07 50.90743 40.48951 40.49796 1.00000 None parabolic box sum 1335 1621 8.35727 8.86576 119.35803 28LeuH 31AlaH 28LeuN 1.69329e+06 1.55536e+07 27.35287 35.79195 39.12878 1.00000 None parabolic box sum 1336 1622 8.28412 7.83861 119.08758 7LeuH 9SerH 7LeuN 2.40979e+06 1.82833e+07 24.89209 27.68571 38.99550 1.00000 None parabolic box sum 1337 1623 8.28004 2.95083 119.31099 28LeuH 29AspHbb 28LeuN 1.48193e+06 2.41957e+07 149.58501 54.59175 95.20477 1.00000 None parabolic box sum 1338 1625 8.24204 8.73422 118.11600 30GlnH 32AlaH 30GlnN 2.96679e+06 4.34910e+07 22.45545 50.08061 151.26282 1.00000 None parabolic box sum 1339 1626 8.24300 4.03421 118.10991 30GlnH 28LeuHa 30GlnN 5.41892e+06 9.93066e+07 28.75268 135.71742 49.77739 1.00000 None parabolic box sum 1340 1628 8.24423 0.23686 118.10696 30GlnH 62LeuHda* 30GlnN 1.34307e+06 1.41410e+07 24.66857 44.79669 36.81839 1.00000 None parabolic box sum 1341 1629 8.25842 3.19812 117.40961 68ThrH 65HisHba 68ThrN 1.67826e+06 2.38322e+07 26.52556 65.94495 37.48715 1.00000 None parabolic box sum 1342 1630 8.25667 0.91559 117.14362 68ThrH 66LeuHba 68ThrN 1.69804e+06 2.22140e+07 33.93888 162.64686 169.32863 1.00000 None parabolic box sum 1343 1632 8.10739 1.83635 119.06246 54PheH 52LeuHba 54PheN 1.50003e+07 2.50985e+08 186.91599 60.00060 42.05942 1.00000 None None box sum 1344 1633 8.10497 1.26757 119.20099 54PheH 58ThrHg2* 54PheN 1.75482e+06 2.58149e+07 145.48987 268.01740 42.79828 1.00000 None parabolic box sum 1345 1639 8.12481 1.51460 118.01983 100GlyH 93LeuHba 100GlyN 2.41012e+06 4.16289e+07 25.98822 121.15752 40.16989 1.00000 None None box sum 1346 1640 8.12481 0.80368 118.01983 100GlyH 99IleHd1* 100GlyN 3.94798e+06 9.40518e+07 24.70970 119.69217 104.78956 1.00000 None None box sum 1347 1641 7.93362 4.10918 117.04203 27ValH 23ThrHa 27ValN 5.37737e+06 8.45179e+07 126.32340 147.20823 37.42427 1.00000 None None box sum 1348 1642 7.93625 2.97560 117.33461 27ValH 29AspHbb 27ValN 1.48191e+06 2.36863e+07 38.31327 60.66388 42.81867 1.00000 None parabolic box sum 1349 1643 7.93682 1.19952 117.04203 23ThrH 23ThrHg2* 23ThrN 7.31260e+06 2.83716e+08 77.79956 153.53198 42.88954 1.00000 None None box sum 1350 1651 7.32685 7.07442 123.72406 78LeuH 80PheHd* 78LeuN 2.99129e+06 1.17527e+07 29.01405 23.01779 38.79291 1.00000 None parabolic box sum 1351 1652 7.30895 6.90301 109.62020 84ThrH 49PheHd* 84ThrN 5.73026e+06 9.45670e+07 29.17379 125.87242 40.80200 1.00000 None None box sum 1352 1657 8.11313 1.75184 121.66453 55AspH 57LeuHba 55AspN 3.50013e+06 4.80297e+07 206.63351 60.08710 36.82154 1.00000 None parabolic box sum 1353 1659 9.17351 8.91250 124.75585 74LeuH 67GlnH 74LeuN 1.74560e+06 2.12290e+07 31.57571 39.30759 45.19680 1.00000 None parabolic box sum 1354 1661 9.25121 4.35591 121.14290 76SerH 77ThrHa 76SerN 1.43499e+06 1.35604e+07 44.28014 60.12131 19.80013 1.00000 None parabolic box sum 1355 1662 9.10232 4.34113 118.54720 19GlnH 11LeuHa 19GlnN 1.89831e+06 4.23092e+06 27.38565 68.42782 32.15337 1.00000 None parabolic box sum 1356 1663 8.77740 2.29951 111.72539 15ThrH 18GluHga 15ThrN 1.57045e+07 3.90342e+08 29.65599 116.43043 39.10673 1.00000 None None box sum 1357 1666 8.43562 2.07229 107.79873 98GlyH 97ProHgb 98GlyN 1.42236e+06 2.25577e+07 39.38556 160.67511 35.44700 1.00000 None parabolic box sum 1358 1668 7.57278 6.93288 108.57676 79IleH 49PheHe* 79IleN 2.79338e+06 4.13320e+07 29.82736 147.83022 38.66887 1.00000 None parabolic box sum 1359 1669 7.85649 1.64160 115.30503 9SerH 6LeuHbb 9SerN 3.17433e+06 5.79160e+07 31.40241 310.64340 37.27239 1.00000 None parabolic box sum 1360 1670 7.85094 0.80291 122.11703 43LeuH 43LeuHda* 43LeuN 1.25190e+07 2.26647e+08 29.11299 108.32915 39.83867 1.00000 None None box sum 1361 1671 8.24930 7.70172 121.97424 87AlaH 91HisH 87AlaN 2.58342e+06 2.58337e+07 45.82912 48.27114 46.25750 1.00000 None parabolic box sum 1362 1672 8.44333 2.76486 117.74552 62LeuH 64AspHba 62LeuN 3.65080e+06 4.11053e+07 41.69375 62.31402 33.56314 1.00000 None parabolic box sum 1363 1673 7.73744 7.39770 102.83335 53GlyH 54PheHd* 53GlyN 1.02020e+07 1.28115e+08 31.51625 48.76850 40.16030 1.00000 None parabolic box sum 1364 1675 7.30540 0.89046 109.59323 84ThrH 88ValHga* 84ThrN 1.62779e+06 2.23872e+07 31.82620 144.96126 45.30680 1.00000 None parabolic box sum 1365 1676 6.56898 6.16995 112.42716 95GlnHe2b 91HisHd2 95GlnNe2 4.87984e+06 4.23296e+07 30.19989 27.03697 52.30248 1.00000 None parabolic box sum 1366 1678 8.07824 4.27536 112.45211 5ThrH 3ThrHb 5ThrN 1.50447e+06 1.69415e+07 32.76467 40.57915 41.46445 1.00000 None parabolic box sum 1367 1679 8.16806 0.86426 111.38704 17ThrH 14LeuHda* 17ThrN 1.33342e+06 2.50443e+07 198.00901 61.07435 55.23825 1.00000 None parabolic box sum 1368 1681 7.61908 7.36023 116.37228 35LeuH 54PheHz 35LeuN 7.28668e+06 7.81883e+07 30.58255 42.04980 38.62464 1.00000 None parabolic box sum 1369 1682 7.61478 7.20364 116.38795 35LeuH 54PheHe* 35LeuN 3.96626e+06 4.66579e+07 30.80219 48.01204 42.43702 1.00000 None parabolic box sum 1370 1683 7.57228 7.30912 116.87131 94GluH 96IleH 94GluN 5.25892e+06 2.15708e+07 32.69553 60.91689 51.24885 1.00000 None parabolic box sum 1371 1684 8.40599 6.58452 117.08918 92LeuH 95GlnHe2b 92LeuN 1.39973e+06 1.85785e+07 25.32870 52.94437 37.13071 1.00000 None parabolic box sum 1372 1686 8.73311 8.39686 118.69733 32AlaH 40ThrH 32AlaN 2.90268e+06 9.07439e+06 30.76136 18.99673 64.51494 1.00000 None parabolic box sum 1373 1688 8.51282 8.25728 121.36785 89AlaH 87AlaH 89AlaN 8.00283e+06 7.47854e+07 40.11393 68.16912 48.96897 1.00000 None parabolic box sum 1374 1690 8.51231 3.78778 121.16472 89AlaH 89AlaHa 89AlaN 4.13073e+07 6.95298e+08 35.31814 74.26955 41.71389 1.00000 None None box sum 1375 1691 8.52035 3.00848 119.48436 88ValH 91HisHbb 88ValN 1.79772e+06 2.69603e+07 28.92524 143.65986 36.51923 1.00000 None parabolic box sum 1376 1692 8.52160 2.87060 119.48982 88ValH 86HisHbb 88ValN 3.24844e+06 3.81489e+07 31.75676 48.98671 43.21796 1.00000 None parabolic box sum 1377 1693 8.51848 2.69475 119.53039 88ValH 86HisHba 88ValN 2.34585e+06 4.29606e+07 29.96147 49.52732 83.83209 1.00000 None None box sum 1378 1694 8.52250 2.16201 119.46236 88ValH 91HisHba 88ValN 2.68482e+06 2.90081e+07 30.12359 154.43588 46.54104 1.00000 None parabolic box sum 1379 1695 8.52268 1.08145 119.53039 88ValH 27ValHga* 88ValN 9.00912e+06 1.81514e+08 34.50543 93.88327 40.73095 1.00000 None None box sum 1380 1696 8.49005 7.54271 118.37121 22ValH 18GluH 22ValN 2.46715e+06 2.50892e+07 27.93044 25.92116 55.73344 1.00000 None parabolic box sum 1381 1697 8.48281 9.12999 118.47921 22ValH 19GlnH 22ValN 2.35636e+06 3.50162e+07 64.83227 47.77781 46.22328 1.00000 None parabolic box sum 1382 1698 8.48692 2.38603 118.35116 22ValH 18GluHbb 22ValN 2.32484e+06 3.13776e+07 35.31814 139.65031 36.83245 1.00000 None parabolic box sum 1383 1699 8.48161 1.43817 118.50235 22ValH 89AlaHb* 22ValN 4.24885e+06 6.18148e+07 28.31399 39.22625 84.58477 1.00000 None parabolic box sum 1384 1700 8.45128 4.33426 117.73081 46HisH 47GluHa 46HisN 1.99139e+06 2.71457e+07 46.16559 55.86287 56.64027 1.00000 None parabolic box sum 1385 1703 8.17145 2.25680 119.93708 37TyrH 34ValHb 37TyrN 1.65395e+06 2.30027e+07 33.38188 53.97998 121.52767 1.00000 None parabolic box sum 1386 1705 7.98108 8.74457 119.06143 69AlaH 66LeuH 69AlaN 2.03403e+06 7.58197e+06 20.89471 25.48434 29.31964 1.00000 None parabolic box sum 1387 1706 7.98029 3.57809 119.07791 69AlaH 65HisHbb 69AlaN 1.66979e+06 2.23169e+07 28.62930 61.03032 34.96301 1.00000 None parabolic box sum 1388 1707 7.98055 2.55768 119.06076 69AlaH 67GlnHga 69AlaN 2.73161e+06 4.30459e+07 27.68576 86.92965 37.38463 1.00000 None parabolic box sum 1389 1708 7.98178 2.25388 118.88626 69AlaH 67GlnHba 69AlaN 2.41431e+06 2.99183e+07 47.71918 37.70311 59.48877 1.00000 None parabolic box sum 1390 1710 7.97938 0.63768 119.66392 81AspH 79IleHg1b 81AspN 1.43645e+06 1.68415e+07 30.52831 52.37663 39.78115 1.00000 None parabolic box sum 1391 1712 7.35671 0.76846 119.84687 14LeuH 11LeuHdb* 14LeuN 5.09248e+06 1.08972e+08 83.83185 149.75833 39.86114 1.00000 None None box sum 1392 1716 8.88005 0.90349 123.56780 67GlnH 66LeuHba 67GlnN 2.41066e+06 1.46556e+08 21.59953 166.27072 37.11954 1.00000 None None box sum ; 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 3 . 10000 Hz . . . 4.79 . . 34299 1 2 . . H 1 H 1 . 6596.31 Hz . . . 4.75 . . 34299 1 3 . . N 15 N 1 aliased 2000 Hz . . . 115 . . 34299 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 34299 _Spectral_peak_list.ID 2 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 2 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_2 _Spectral_peak_list.Experiment_ID 7 _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 . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Number # Position F1 Position F2 Position F3 Assign F1 Assign F2 Assign F3 Height Volume Line Width F1 (Hz) Line Width F2 (Hz) Line Width F3 (Hz) Merit Details Fit Method Vol. Method 1 1 -0.14885 7.65497 17.24622 79IleHg2* 79IleH 79IleCg2 2.71738e+07 4.35209e+08 24.52254 54.84473 127.65852 1.00000 None parabolic box sum 2 2 -0.14776 7.37099 17.23935 79IleHg2* 54PheHd* 79IleCg2 4.91913e+06 8.18251e+07 23.81325 67.69009 129.39860 1.00000 None parabolic box sum 3 4 -0.14844 7.02263 17.24730 79IleHg2* 49PheHe* 79IleCg2 1.09126e+07 1.78394e+08 25.02203 122.58709 128.10404 1.00000 None parabolic box sum 4 5 -0.14864 6.91668 17.25075 79IleHg2* 49PheHd* 79IleCg2 1.33366e+07 2.20357e+08 24.85037 115.22171 129.74952 1.00000 None parabolic box sum 5 6 -0.14841 6.58513 17.26338 79IleHg2* 49PheHz 79IleCg2 3.60431e+06 5.48724e+07 22.45426 49.30423 128.51874 1.00000 None parabolic box sum 6 7 -0.14942 4.07305 17.26606 79IleHg2* {*}Ha 79IleCg2 3.43820e+06 5.29580e+07 23.28336 61.27095 126.86359 1.00000 None parabolic box sum 7 8 -0.14856 3.85153 17.24817 79IleHg2* 79IleHa 79IleCg2 4.45414e+07 7.09832e+08 24.65904 52.01451 127.43576 1.00000 None parabolic box sum 8 9 -0.14841 2.68824 17.24559 79IleHg2* (49Phe/54Phe)Hb* 79IleCg2 1.13335e+07 1.90046e+08 24.66857 74.53049 126.57947 1.00000 None parabolic box sum 9 10 -0.14841 1.39121 17.25257 79IleHg2* 59AlaHb* 79IleCg2 3.53578e+07 6.07347e+08 24.92249 129.99307 127.30337 1.00000 None parabolic box sum 10 11 -0.14860 1.30207 17.24888 79IleHg2* 79IleHb 79IleCg2 6.55137e+07 1.06505e+09 24.46413 98.21070 126.76294 1.00000 None parabolic box sum 11 12 -0.15111 2.33126 17.26099 79IleHg2* 88ValHb 79IleCg2 2.61992e+06 4.49257e+07 23.58973 72.91715 133.86623 1.00000 None parabolic box sum 12 13 -0.14932 2.11329 17.23820 79IleHg2* 78LeuHbb 79IleCg2 3.50008e+06 5.82872e+07 25.32780 102.90620 129.65491 1.00000 None parabolic box sum 13 14 -0.14783 1.77089 17.25147 79IleHg2* 78LeuHba 79IleCg2 9.19708e+06 1.53751e+08 24.72997 75.82252 128.60216 1.00000 None parabolic box sum 14 15 -0.14905 1.04213 17.25421 79IleHg2* 78LeuHdb* 79IleCg2 6.27717e+06 9.84420e+07 24.74248 54.11162 126.05173 1.00000 None parabolic box sum 15 16 -0.14868 0.80811 17.24861 79IleHg2* 78LeuHda* 79IleCg2 2.20685e+07 3.71331e+08 25.13170 86.70823 127.95322 1.00000 None parabolic box sum 16 17 -0.14890 0.64317 17.25206 79IleHg2* 79IleHg1b 79IleCg2 2.64189e+07 4.21997e+08 24.77705 56.31066 126.23913 1.00000 None parabolic box sum 17 19 -0.14872 0.24841 17.24933 79IleHg2* 62LeuHda* 79IleCg2 3.16849e+07 4.98602e+08 24.80209 53.97306 126.60033 1.00000 None parabolic box sum 18 20 -0.14875 0.08692 17.25129 79IleHg2* 79IleHg1a 79IleCg2 2.02543e+07 3.21405e+08 24.31035 101.21561 128.86814 1.00000 None parabolic box sum 19 21 0.00554 1.40656 13.55585 79IleHd1* 59AlaHb* 79IleCd1 4.78868e+07 7.95816e+08 24.95766 122.35794 128.47682 1.00000 None parabolic box sum 20 22 0.00569 1.30027 13.55612 79IleHd1* 79IleHb 79IleCd1 4.90485e+07 7.98044e+08 24.72818 121.45890 128.38410 1.00000 None parabolic box sum 21 24 0.00517 1.05426 13.56285 79IleHd1* {*}Hdb* 79IleCd1 6.08973e+06 9.55603e+07 24.54340 55.24120 128.58810 1.00000 None parabolic box sum 22 25 0.00569 0.80274 13.56104 79IleHd1* 78LeuHda* 79IleCd1 2.41484e+07 3.94948e+08 24.64473 87.14979 128.31126 1.00000 None parabolic box sum 23 26 0.00549 0.64326 13.55956 79IleHd1* 79IleHg1b 79IleCd1 4.44499e+07 7.14934e+08 24.48082 59.60823 129.08082 1.00000 None parabolic box sum 24 27 0.00467 2.31827 13.53199 79IleHd1* (52Leu/63Arg)Hbb 79IleCd1 2.67304e+06 4.27994e+07 21.43621 76.78289 135.34949 1.00000 None parabolic box sum 25 28 0.00481 2.05162 13.56119 79IleHd1* 63ArgHba 79IleCd1 3.72207e+06 6.41292e+07 24.05643 103.93625 131.65947 1.00000 None parabolic box sum 26 29 0.00559 1.79218 13.55520 79IleHd1* 62LeuHbb 79IleCd1 8.22042e+06 1.37609e+08 24.75441 81.46924 129.34204 1.00000 None parabolic box sum 27 30 0.00571 2.83692 13.56489 79IleHd1* 54PheHbb 79IleCd1 9.34368e+06 1.54563e+08 24.48797 174.71646 129.39728 1.00000 None parabolic box sum 28 31 0.00584 2.68123 13.55585 79IleHd1* 54PheHba 79IleCd1 2.40735e+07 4.00692e+08 24.79494 70.60781 128.81723 1.00000 None parabolic box sum 29 32 0.00556 3.85616 13.55774 79IleHd1* (79Ile/59Ala)Ha 79IleCd1 4.34723e+07 6.87053e+08 24.78361 51.31773 128.84311 1.00000 None parabolic box sum 30 33 0.00639 4.29524 13.57422 79IleHd1* 49PheHa 79IleCd1 3.73048e+06 5.85325e+07 23.61953 60.62593 133.61853 1.00000 None parabolic box sum 31 34 0.00468 4.08583 13.55373 79IleHd1* 54PheHa 79IleCd1 4.61363e+06 7.30123e+07 23.12064 84.56135 131.95615 1.00000 None parabolic box sum 32 35 0.00547 7.65197 13.56221 79IleHd1* 79IleH 79IleCd1 1.52336e+07 2.42336e+08 24.53744 56.21301 127.75554 1.00000 None parabolic box sum 33 36 0.00579 7.39382 13.56568 79IleHd1* 54PheHd* 79IleCd1 9.77806e+06 1.58291e+08 24.55354 63.58944 128.04040 1.00000 None parabolic box sum 34 37 0.00620 7.23939 13.54822 79IleHd1* 80PheHe* 79IleCd1 6.50227e+06 1.07037e+08 24.32466 170.27538 129.45815 1.00000 None parabolic box sum 35 38 0.00622 7.02461 13.56203 79IleHd1* 49PheHe* 79IleCd1 9.38582e+06 1.52286e+08 25.12276 119.06595 132.07907 1.00000 None parabolic box sum 36 39 0.00549 6.91430 13.54504 79IleHd1* 49PheHd* 79IleCd1 8.27427e+06 1.34107e+08 24.14167 123.71806 132.65912 1.00000 None parabolic box sum 37 40 0.00541 9.06913 13.53701 79IleHd1* 59AlaH 79IleCd1 4.13720e+06 5.91066e+07 21.47257 45.72770 133.92540 1.00000 None parabolic box sum 38 41 0.00424 8.16310 13.57297 79IleHd1* 55AspH 79IleCd1 4.31367e+06 6.64967e+07 22.33863 55.66564 133.74017 1.00000 None parabolic box sum 39 42 0.09032 8.16707 20.33684 35LeuHda* {*}H 35LeuCda 4.86629e+06 7.80442e+07 23.00322 59.83916 131.51680 1.00000 None parabolic box sum 40 43 0.09300 7.77349 20.34238 35LeuHda* 36GlyH 35LeuCda 3.83649e+06 5.74005e+07 23.06640 43.56335 135.36813 1.00000 None parabolic box sum 41 44 0.09046 7.64606 20.33393 35LeuHda* 35LeuH 35LeuCda 1.41779e+07 2.17718e+08 23.92173 47.53590 126.64325 1.00000 None parabolic box sum 42 45 0.09228 7.36882 20.35167 35LeuHda* 54PheHd* 35LeuCda 1.17340e+07 1.99492e+08 24.40512 67.18562 133.49748 1.00000 None parabolic box sum 43 46 0.09089 7.22202 20.34623 35LeuHda* 54PheHe* 35LeuCda 1.07705e+07 1.71806e+08 23.87464 57.87922 126.64415 1.00000 None parabolic box sum 44 47 0.08985 7.03130 20.37639 35LeuHda* (37Tyr/49Phe)(Hd*/He*) 35LeuCda 2.84867e+06 4.30928e+07 22.54903 57.77749 133.89404 1.00000 None parabolic box sum 45 48 0.09238 6.84260 20.31216 35LeuHda* 37TyrHe* 35LeuCda 5.49657e+06 8.68565e+07 23.40257 49.11152 131.53524 1.00000 None parabolic box sum 46 49 0.09117 4.13226 20.34527 35LeuHda* 58ThrHb 35LeuCda 1.17945e+07 1.85749e+08 24.01173 150.46211 126.57977 1.00000 None parabolic box sum 47 50 0.09145 4.00144 20.34212 35LeuHda* 35LeuHa 35LeuCda 7.21939e+07 1.15770e+09 24.36101 54.09370 127.07819 1.00000 None parabolic box sum 48 52 0.08921 4.40131 20.32727 35LeuHda* 53GlyHab 35LeuCda 3.03881e+06 4.74345e+07 23.05329 87.57145 129.89853 1.00000 None parabolic box sum 49 53 0.09406 4.33761 20.31045 35LeuHda* 52LeuHa 35LeuCda 2.54103e+06 4.29781e+07 23.11826 100.55984 144.03529 1.00000 None parabolic box sum 50 54 0.08935 2.26202 20.36416 35LeuHda* 34ValHb 35LeuCda 4.53196e+06 7.19034e+07 22.86136 67.16970 130.90655 1.00000 None parabolic box sum 51 55 0.09033 1.82392 20.34310 35LeuHda* 52LeuHba 35LeuCda 4.35606e+06 6.67804e+07 23.88835 58.16091 126.26724 1.00000 None parabolic box sum 52 56 0.08917 1.67870 20.35467 35LeuHda* 31AlaHb* 35LeuCda 3.56104e+06 5.53735e+07 22.51923 57.11813 131.96656 1.00000 None parabolic box sum 53 57 0.09119 1.40752 20.34204 35LeuHda* 35LeuHbb 35LeuCda 6.17281e+07 1.01191e+09 24.29128 64.18787 126.41807 1.00000 None parabolic box sum 54 58 0.09112 1.16863 20.34097 35LeuHda* 35LeuHba 35LeuCda 2.96904e+07 4.85296e+08 24.03498 95.77236 126.12851 1.00000 None parabolic box sum 55 59 0.09106 1.00420 20.34334 35LeuHda* 35LeuHg 35LeuCda 2.07076e+07 3.27770e+08 24.22035 51.96235 126.13939 1.00000 None parabolic box sum 56 60 0.09133 0.86995 20.34132 35LeuHda* 34ValHga* 35LeuCda 1.57602e+07 2.41925e+08 24.86050 47.72114 126.41867 1.00000 None parabolic box sum 57 61 0.09105 0.62657 20.34266 35LeuHda* 35LeuHdb* 35LeuCda 8.40317e+07 1.32466e+09 24.23167 52.11485 126.24095 1.00000 None parabolic box sum 58 62 0.82908 1.22174 13.39183 99IleHd1* 99IleHg1a 99IleCd1 6.18240e+07 8.95890e+08 21.87967 58.88995 121.01804 1.00000 None parabolic box sum 59 63 0.82912 1.43811 13.38539 99IleHd1* 99IleHg1b 99IleCd1 7.32446e+07 1.05839e+09 22.50075 44.62027 123.03370 1.00000 None parabolic box sum 60 64 0.82957 1.94249 13.38698 99IleHd1* 99IleHb 99IleCd1 5.70582e+07 8.64076e+08 22.24684 57.24236 123.02529 1.00000 None parabolic box sum 61 65 0.82970 1.80395 13.38666 99IleHd1* 97ProHba 99IleCd1 9.62560e+06 1.34221e+08 21.59178 150.30165 126.89546 1.00000 None parabolic box sum 62 66 0.82929 4.34538 13.38988 99IleHd1* {*}Ha 99IleCd1 2.18623e+07 3.20195e+08 22.03584 51.09436 122.14197 1.00000 None parabolic box sum 63 67 0.82928 4.13505 13.38451 99IleHd1* 12AlaHa 99IleCd1 4.35037e+06 6.75169e+07 22.73560 72.25421 127.04944 1.00000 None parabolic box sum 64 68 0.82926 3.88883 13.37531 99IleHd1* 97ProHdb 99IleCd1 1.00311e+07 1.52525e+08 22.00603 66.81573 121.79993 1.00000 None parabolic box sum 65 69 0.82985 3.72544 13.38416 99IleHd1* 97ProHda 99IleCd1 4.66455e+06 7.21543e+07 23.22257 65.25295 122.78068 1.00000 None parabolic box sum 66 70 0.83095 7.31974 13.37296 99IleHd1* (12Ala/96Ile)H 99IleCd1 4.85358e+06 6.85432e+07 20.23995 55.63220 123.72934 1.00000 None parabolic box sum 67 71 0.82804 7.15538 13.40494 99IleHd1* 19GlnHe2b 99IleCd1 4.70351e+06 6.70934e+07 21.98756 50.58233 110.85023 1.00000 None parabolic box sum 68 72 0.82924 6.81231 13.38900 99IleHd1* 19GlnHe2a 99IleCd1 8.38369e+06 1.19132e+08 21.24190 49.65421 123.64348 1.00000 None parabolic box sum 69 73 0.82892 7.81276 13.37710 99IleHd1* 99IleH 99IleCd1 5.81456e+06 8.36124e+07 22.34757 48.23587 116.72406 1.00000 None parabolic box sum 70 76 0.82691 8.20369 13.37640 99IleHd1* 100GlyH 99IleCd1 3.29728e+06 4.69286e+07 22.53890 38.76352 119.09766 1.00000 None parabolic box sum 71 77 1.74028 7.32858 18.37452 87AlaHb* 84ThrH 87AlaCb 5.21472e+07 8.16480e+08 25.09713 48.94429 126.45283 1.00000 None parabolic box sum 72 78 1.73978 8.55586 18.37416 87AlaHb* 88ValH 87AlaCb 3.11088e+07 4.86402e+08 25.23124 48.17077 125.01984 1.00000 None parabolic box sum 73 80 1.73984 8.26207 18.37804 87AlaHb* 87AlaH 87AlaCb 4.01267e+07 6.31345e+08 25.05541 49.86982 125.49951 1.00000 None parabolic box sum 74 81 1.74214 7.82608 18.36595 87AlaHb* 90GluH 87AlaCb 2.92858e+06 4.10421e+07 20.89977 132.60978 132.40664 1.00000 None parabolic box sum 75 82 1.74043 7.70241 18.35635 87AlaHb* 91HisH 87AlaCb 4.02898e+06 6.63783e+07 24.49512 68.53240 130.81315 1.00000 None parabolic box sum 76 83 1.74175 7.01498 18.34600 87AlaHb* 49PheHe* 87AlaCb 2.66149e+06 4.09437e+07 24.24240 56.89596 138.95499 1.00000 None parabolic box sum 77 84 1.73887 6.86211 18.38233 87AlaHb* 86HisHd2 87AlaCb 3.63130e+06 5.60142e+07 23.36740 55.00390 121.13888 1.00000 None parabolic box sum 78 85 1.74031 4.96968 18.35040 87AlaHb* 82HisHa 87AlaCb 4.73068e+06 7.39657e+07 23.88656 53.45107 123.99610 1.00000 None parabolic box sum 79 86 1.73990 4.22479 18.37389 87AlaHb* 87AlaHa 87AlaCb 6.33519e+07 1.00705e+09 25.51317 51.48535 125.12411 1.00000 None parabolic box sum 80 87 1.73985 3.67216 18.37345 87AlaHb* 83ProHdb 87AlaCb 1.24389e+07 1.98843e+08 25.65444 54.24182 123.73465 1.00000 None parabolic box sum 81 88 1.73947 3.42401 18.36393 87AlaHb* 88ValHa 87AlaCb 1.24392e+07 1.97592e+08 24.75441 52.50425 126.71972 1.00000 None parabolic box sum 82 89 1.73967 3.12090 18.37935 87AlaHb* 82HisHbb 87AlaCb 1.23643e+07 2.03956e+08 25.21455 61.80130 127.13713 1.00000 None parabolic box sum 83 90 1.74023 2.88920 18.36221 87AlaHb* 86HisHbb 87AlaCb 2.98220e+06 4.86264e+07 28.08571 49.90426 122.85750 1.00000 None parabolic box sum 84 91 1.74009 2.36290 18.37172 87AlaHb* 82HisHba 87AlaCb 2.50464e+07 4.02465e+08 25.03693 59.14915 124.49270 1.00000 None parabolic box sum 85 92 3.41547 3.02157 66.96829 88ValHa 91HisHbb 88ValCa 1.40264e+07 2.55691e+08 30.25889 92.41826 137.66618 1.00000 None parabolic box sum 86 93 3.41782 2.33696 66.99585 88ValHa 88ValHb 88ValCa 1.74569e+07 3.28402e+08 31.40807 77.03373 140.66651 1.00000 None parabolic box sum 87 94 3.41618 2.17573 66.98714 88ValHa 91HisHba 88ValCa 1.16005e+07 2.16087e+08 30.58374 187.55714 139.54907 1.00000 None parabolic box sum 88 95 3.41900 1.74382 66.99773 88ValHa 87AlaHb* 88ValCa 5.91226e+06 1.05086e+08 31.40926 58.59809 142.87705 1.00000 None parabolic box sum 89 97 3.41573 1.32843 66.95923 88ValHa 88ValHgb* 88ValCa 3.54079e+07 6.24485e+08 30.45678 52.86777 136.71574 1.00000 None parabolic box sum 90 98 3.41812 0.90709 67.01536 88ValHa 88ValHga* 88ValCa 3.17432e+07 5.67549e+08 32.35936 49.91182 143.40705 1.00000 None parabolic box sum 91 99 3.41497 7.72617 66.93985 88ValHa 91HisH 88ValCa 9.40376e+06 1.66851e+08 30.49016 56.18733 136.26009 1.00000 None parabolic box sum 92 100 3.41618 8.55490 66.97410 88ValHa 88ValH 88ValCa 2.01045e+07 3.45029e+08 30.52652 47.21040 136.72163 1.00000 None parabolic box sum 93 101 3.41765 8.41969 66.98309 88ValHa 92LeuH 88ValCa 5.53368e+06 1.02965e+08 32.89998 109.61143 145.84610 1.00000 None parabolic box sum 94 102 4.13332 8.32986 72.12909 70ThrHb 7LeuH 70ThrCb 2.54456e+06 4.28105e+07 30.80130 53.36786 125.00457 1.00000 None parabolic box sum 95 103 4.12969 7.74343 72.13045 70ThrHb 72LeuH 70ThrCb 5.80777e+06 1.07769e+08 37.05859 56.30489 130.43669 1.00000 None parabolic box sum 96 104 4.13274 7.63103 72.15934 70ThrHb 70ThrH 70ThrCb 3.21394e+06 5.81554e+07 32.37247 123.14192 125.74857 1.00000 None parabolic box sum 97 105 4.13111 4.50753 72.13251 70ThrHb 70ThrHa 70ThrCb 1.88147e+07 3.39456e+08 34.21783 53.17793 131.36462 1.00000 None parabolic box sum 98 106 4.13273 1.84783 72.17369 70ThrHb 7LeuHbb 70ThrCb 5.42282e+06 9.90311e+07 32.61387 63.83590 128.75661 1.00000 None parabolic box sum 99 107 4.13170 1.47921 72.14384 70ThrHb 72LeuHg 70ThrCb 1.99793e+07 3.90096e+08 33.60033 93.57292 133.38020 1.00000 None parabolic box sum 100 108 4.13150 1.29736 72.14029 70ThrHb 70ThrHg2* 70ThrCb 4.09126e+07 7.39936e+08 36.35645 51.93090 128.98073 1.00000 None parabolic box sum 101 110 0.86445 8.51864 21.13181 22ValHga* 22ValH 22ValCga 1.80911e+07 2.70990e+08 23.01037 51.17439 134.15095 1.00000 None parabolic box sum 102 114 0.86519 4.34693 21.31262 22ValHga* 11LeuHa 22ValCga 5.43053e+06 9.74561e+07 26.41261 58.17963 489.15313 1.00000 None parabolic box sum 103 115 0.86370 4.16610 21.16672 22ValHga* 18GluHa 22ValCga 9.26606e+06 1.42507e+08 20.61605 68.50871 141.93371 1.00000 None parabolic box sum 104 116 0.86495 3.83652 21.14900 22ValHga* 19GlnHa 22ValCga 1.27893e+07 2.06413e+08 23.30840 140.42169 151.76969 1.00000 None parabolic box sum 105 117 0.86485 3.71503 21.13289 22ValHga* 22ValHa 22ValCga 4.45723e+07 6.75678e+08 23.32926 54.33698 131.36688 1.00000 None parabolic box sum 106 118 0.86350 2.95997 21.14011 22ValHga* 10LysHea 22ValCga 7.54635e+06 1.10825e+08 22.69208 47.87523 129.00658 1.00000 None parabolic box sum 107 119 0.86462 2.03262 21.12656 22ValHga* 22ValHb 22ValCga 6.44713e+07 1.01399e+09 23.29648 61.54170 135.21066 1.00000 None parabolic box sum 108 120 0.86437 1.60489 21.13508 22ValHga* 21AlaHb* 22ValCga 1.47638e+07 2.48277e+08 23.32926 97.42751 131.09909 1.00000 None parabolic box sum 109 121 0.86537 1.47344 21.17194 22ValHga* 10LysHga 22ValCga 1.06414e+07 1.28856e+08 20.21432 200.63553 127.74889 1.00000 None parabolic box sum 110 122 0.86423 1.09467 21.12870 22ValHga* 22ValHgb* 22ValCga 1.13789e+08 1.59526e+09 23.43774 37.71377 137.68280 1.00000 None parabolic box sum 111 124 1.08244 7.96400 23.19741 27ValHga* 27ValH 27ValCga 4.86240e+07 7.90344e+08 25.39277 52.52903 127.61983 1.00000 None parabolic box sum 112 125 1.08775 8.51881 22.94065 22ValHgb* 22ValH 22ValCgb 6.75979e+07 1.06812e+09 23.21839 52.67217 134.26339 1.00000 None parabolic box sum 113 126 1.08382 8.38045 23.16860 27ValHga* 28LeuH 27ValCga 8.60219e+06 1.38358e+08 26.85308 47.15894 124.16657 1.00000 None parabolic box sum 114 127 1.08894 7.69758 22.92220 22ValHgb* 21AlaH 22ValCgb 8.09880e+06 1.31076e+08 22.10438 118.20354 139.08012 1.00000 None parabolic box sum 115 128 4.40195 8.16348 44.82895 53GlyHab 54PheH 53GlyCa 7.07723e+06 1.29193e+08 36.52394 58.02902 127.88132 1.00000 None parabolic box sum 116 129 4.40156 7.77287 44.82692 53GlyHab 53GlyH 53GlyCa 2.00558e+07 3.61129e+08 36.21638 47.97159 131.63139 1.00000 None parabolic box sum 117 130 4.40163 3.81985 44.81906 53GlyHab 53GlyHaa 53GlyCa 6.94318e+07 1.28560e+09 36.15737 54.85499 132.78348 1.00000 None parabolic box sum 118 131 3.81717 4.40475 44.81758 53GlyHaa 53GlyHab 53GlyCa 6.50749e+07 1.20627e+09 35.18879 56.02558 133.43378 1.00000 None parabolic box sum 119 133 3.81376 8.15879 44.84606 53GlyHaa 54PheH 53GlyCa 8.18173e+06 1.58547e+08 35.39503 55.31904 185.71641 1.00000 None parabolic box sum 120 134 3.82506 7.76969 44.83094 53GlyHaa 53GlyH 53GlyCa 2.53452e+07 5.05131e+08 36.51500 48.37721 257.00525 1.00000 None None box sum 121 135 4.40315 0.09373 44.86651 53GlyHab 35LeuHda* 53GlyCa 3.98293e+06 7.03993e+07 37.64093 49.71991 131.87029 1.00000 None parabolic box sum 122 136 3.81771 0.09835 44.90000 53GlyHaa 35LeuHda* 53GlyCa 2.40988e+06 4.38560e+07 35.23767 49.80233 145.74295 1.00000 None parabolic box sum 123 137 3.01782 8.44062 27.80156 91HisHbb 92LeuH 91HisCb 9.96633e+06 1.84859e+08 40.09426 48.49935 135.67492 1.00000 None parabolic box sum 124 138 3.01971 7.72791 27.80474 91HisHbb 91HisH 91HisCb 1.95317e+07 3.67054e+08 41.47351 50.11160 136.03763 1.00000 None parabolic box sum 125 140 2.17768 7.72845 27.80827 91HisHba 91HisH 91HisCb 2.23801e+07 4.05604e+08 35.55834 49.50012 137.14630 1.00000 None parabolic box sum 126 141 3.01775 6.18741 27.80067 91HisHbb 91HisHd2 91HisCb 7.98145e+06 1.47508e+08 40.47871 48.87442 136.75095 1.00000 None parabolic box sum 127 142 3.01917 4.22444 27.81181 91HisHbb 91HisHa 91HisCb 1.09332e+07 2.05920e+08 41.81445 51.21460 132.96158 1.00000 None parabolic box sum 128 143 3.02028 3.41961 27.81212 91HisHbb 88ValHa 91HisCb 1.13939e+07 2.15634e+08 41.16416 51.79512 136.50038 1.00000 None parabolic box sum 129 144 2.17859 4.22372 27.80952 91HisHba 91HisHa 91HisCb 1.75120e+07 3.25969e+08 36.66341 51.73659 141.76898 1.00000 None parabolic box sum 130 145 2.17828 3.02275 27.80213 91HisHba 91HisHbb 91HisCb 4.02584e+07 7.52687e+08 35.10594 59.52302 136.81865 1.00000 None parabolic box sum 131 146 2.17764 3.41917 27.79024 91HisHba 88ValHa 91HisCb 9.86884e+06 1.79659e+08 35.72822 50.57954 136.66209 1.00000 None parabolic box sum 132 147 3.01917 2.17967 27.80220 91HisHbb 91HisHba 91HisCb 3.75321e+07 7.21504e+08 40.89415 58.33969 135.49720 1.00000 None parabolic box sum 133 148 3.01945 1.04939 27.80434 91HisHbb {*}Hdb* 91HisCb 3.31739e+06 6.17992e+07 38.20479 50.30361 133.65072 1.00000 None parabolic box sum 134 149 3.02022 0.90836 27.82838 91HisHbb 88ValHga* 91HisCb 3.26157e+06 6.04102e+07 41.25357 51.90780 132.28241 1.00000 None parabolic box sum 135 150 3.01433 0.76978 27.81508 91HisHbb (92Leu/93Leu)Hda* 91HisCb 2.97969e+06 5.76209e+07 38.91468 63.92071 138.94260 1.00000 None parabolic box sum 136 151 2.18073 1.05099 27.80454 91HisHba {*}Hdb* 91HisCb 3.25407e+06 5.86849e+07 33.91504 47.81829 148.82603 1.00000 None parabolic box sum 137 153 2.17600 6.18721 27.79268 91HisHba 91HisHd2 91HisCb 6.09294e+06 1.12289e+08 36.29327 48.33192 134.40454 1.00000 None parabolic box sum 138 154 6.18617 8.44481 124.91217 91HisHd2 92LeuH 91HisCd2 2.65961e+06 4.26453e+07 27.58563 44.58583 144.74770 1.00000 None parabolic box sum 139 155 6.18248 7.71637 124.98755 91HisHd2 91HisH 91HisCd2 2.69074e+06 4.83247e+07 30.11942 53.43047 149.21261 1.00000 None parabolic box sum 140 156 6.18437 3.59962 125.00044 91HisHd2 92LeuHa 91HisCd2 2.43938e+06 4.19118e+07 25.32989 47.68093 170.99400 1.00000 None parabolic box sum 141 157 6.18518 3.02083 124.97285 91HisHd2 91HisHbb 91HisCd2 6.68866e+06 1.16988e+08 28.33694 58.02634 150.57971 1.00000 None parabolic box sum 142 158 6.18471 2.17078 124.97602 91HisHd2 91HisHba 91HisCd2 5.97391e+06 1.08202e+08 28.97620 72.98125 154.20102 1.00000 None parabolic box sum 143 159 6.18511 1.04892 124.98180 91HisHd2 78LeuHdb* 91HisCd2 2.67432e+07 4.55181e+08 28.62126 48.21407 151.00528 1.00000 None parabolic box sum 144 160 6.18529 0.92093 124.97076 91HisHd2 88ValHga* 91HisCd2 1.50772e+07 2.56699e+08 29.17439 48.41554 152.64985 1.00000 None parabolic box sum 145 161 6.18540 0.77956 124.97006 91HisHd2 92LeuHda* 91HisCd2 1.46933e+07 2.63794e+08 29.13207 58.84097 153.78301 1.00000 None parabolic box sum 146 162 6.85174 8.56492 118.40027 86HisHd2 88ValH 86HisCd2 3.70168e+06 5.19734e+07 21.92825 42.76733 140.47322 1.00000 None parabolic box sum 147 163 6.84836 8.26657 118.44060 86HisHd2 87AlaH 86HisCd2 2.84317e+06 4.58352e+07 23.72444 65.41321 146.22482 1.00000 None parabolic box sum 148 165 6.83749 0.09662 118.38204 37TyrHe* 35LeuHda* 37TyrCe* 6.00201e+06 8.78038e+07 21.15309 45.70804 142.04252 1.00000 None parabolic box sum 149 167 6.69241 7.68629 120.49317 82HisHd2 82HisH 82HisCd2 6.29079e+06 1.04934e+08 27.05723 50.96167 149.53693 1.00000 None parabolic box sum 150 168 6.69308 4.04670 120.48266 82HisHd2 78LeuHa 82HisCd2 9.91854e+06 1.65883e+08 25.59811 54.56592 144.17161 1.00000 None parabolic box sum 151 169 6.69328 3.12265 120.50503 82HisHd2 82HisHbb 82HisCd2 6.67136e+06 1.11137e+08 24.86706 58.80474 144.46086 1.00000 None parabolic box sum 152 170 6.69388 2.36343 120.46724 82HisHd2 82HisHba 82HisCd2 1.25192e+07 2.14815e+08 26.34078 57.07752 147.37913 1.00000 None parabolic box sum 153 171 6.69447 2.07220 120.48132 82HisHd2 81AspHba 82HisCd2 6.80336e+06 1.18818e+08 26.05259 63.70132 144.26591 1.00000 None parabolic box sum 154 172 6.69393 1.35197 120.48536 82HisHd2 88ValHgb* 82HisCd2 4.56534e+06 7.93028e+07 25.58410 66.50118 149.07781 1.00000 None parabolic box sum 155 173 6.69362 1.04779 120.47855 82HisHd2 78LeuHdb* 82HisCd2 2.27041e+07 3.75556e+08 26.59231 48.65921 144.38016 1.00000 None parabolic box sum 156 174 7.17823 8.72817 120.76631 65HisHd2 65HisH 65HisCd2 6.89809e+06 1.05062e+08 22.34638 51.24855 145.82675 1.00000 None parabolic box sum 157 175 7.17796 4.50630 120.72595 65HisHd2 65HisHa 65HisCd2 2.98345e+06 4.50722e+07 22.92246 46.08829 142.04162 1.00000 None parabolic box sum 158 176 7.17828 4.16736 120.73702 65HisHd2 (61Glu/31Ala)Ha 65HisCd2 3.41207e+06 5.67093e+07 22.34459 130.38367 150.96508 1.00000 None parabolic box sum 159 177 7.17751 4.06482 120.78023 65HisHd2 62LeuHa 65HisCd2 6.15844e+06 9.72790e+07 21.86000 103.55322 151.04669 1.00000 None parabolic box sum 160 178 7.17773 3.61495 120.78916 65HisHd2 65HisHbb 65HisCd2 4.39273e+06 6.70560e+07 21.37125 58.01598 148.96325 1.00000 None parabolic box sum 161 179 7.17818 3.20752 120.77233 65HisHd2 65HisHba 65HisCd2 4.54137e+06 7.09046e+07 22.51267 57.11654 145.14698 1.00000 None parabolic box sum 162 181 7.17625 2.43006 120.71855 65HisHd2 61GluHgb 65HisCd2 2.98205e+06 4.46821e+07 21.86060 46.48844 143.89414 1.00000 None parabolic box sum 163 183 7.17884 2.06458 120.72974 65HisHd2 61GluHba 65HisCd2 3.52715e+06 5.74295e+07 24.49542 140.08167 144.17070 1.00000 None parabolic box sum 164 184 7.17810 1.00276 120.78157 65HisHd2 34ValHgb* 65HisCd2 3.54866e+06 5.24014e+07 22.58927 45.02679 142.57056 1.00000 None parabolic box sum 165 185 7.17806 0.85644 120.77181 65HisHd2 34ValHga* 65HisCd2 1.80053e+07 2.77520e+08 22.64738 51.34082 143.99811 1.00000 None parabolic box sum 166 191 7.40111 8.15980 131.54981 54PheHd* 54PheH 54PheCd* 1.15711e+07 2.05954e+08 27.99541 53.06705 160.35705 1.00000 None parabolic box sum 167 192 6.98110 3.29218 119.58623 46HisHd2 46HisHbb 46HisCd2 4.61699e+06 7.11455e+07 22.34012 49.18080 147.64965 1.00000 None parabolic box sum 168 193 6.98055 2.96047 119.61833 46HisHd2 46HisHba 46HisCd2 6.77420e+06 1.06262e+08 22.44771 55.89100 144.43638 1.00000 None parabolic box sum 169 194 6.98295 4.62143 119.65942 46HisHd2 46HisHa 46HisCd2 1.55497e+06 2.34412e+07 23.53251 43.95733 142.79635 1.00000 None parabolic box sum 170 195 6.98355 4.06646 119.59623 46HisHd2 45ThrHb 46HisCd2 1.44958e+06 2.23567e+07 23.92948 51.21022 159.32515 1.00000 None parabolic box sum 171 196 6.98030 1.10403 119.58035 46HisHd2 45ThrHg2* 46HisCd2 3.37746e+06 5.08891e+07 21.49254 50.75831 149.80684 1.00000 None parabolic box sum 172 197 6.98056 8.53199 119.60021 46HisHd2 46HisH 46HisCd2 1.60849e+06 2.59296e+07 26.04812 48.53707 139.75899 1.00000 None parabolic box sum 173 198 6.83759 7.03472 118.36834 37TyrHe* 37TyrHd* 37TyrCe* 2.16809e+08 3.30896e+09 21.04998 52.97368 146.28437 1.00000 None parabolic box sum 174 199 6.84973 4.22431 118.38386 86HisHd2 87AlaHa 86HisCd2 4.73111e+06 7.60175e+07 24.04422 52.89285 144.46510 1.00000 None parabolic box sum 175 200 6.83884 4.49280 118.35779 37TyrHe* 40ThrHb 37TyrCe* 2.00174e+06 2.74660e+07 19.20909 47.70641 160.49699 1.00000 None parabolic box sum 176 201 6.83857 3.84993 118.37471 37TyrHe* 36GlyHaa 37TyrCe* 6.01175e+06 9.70106e+07 21.64930 124.22253 149.23740 1.00000 None parabolic box sum 177 203 6.85163 2.70625 118.40460 86HisHd2 86HisHba 86HisCd2 4.02198e+06 5.99596e+07 20.83391 51.69678 143.61818 1.00000 None parabolic box sum 178 204 6.83740 0.62864 118.36870 37TyrHe* 35LeuHdb* 37TyrCe* 2.15479e+07 3.29328e+08 21.99650 53.27309 144.58116 1.00000 None parabolic box sum 179 206 4.79254 4.40665 67.25070 77ThrHb 77ThrHa 77ThrCb 8.81920e+06 1.51120e+08 31.44979 50.84073 128.36565 1.00000 None parabolic box sum 180 207 4.79227 3.24470 67.41010 77ThrHb 80PheHbb 77ThrCb 3.05471e+06 5.35935e+07 36.16273 44.81935 130.69482 1.00000 None parabolic box sum 181 208 4.79084 2.89769 67.23775 77ThrHb 80PheHba 77ThrCb 4.22171e+06 6.87120e+07 26.82686 52.26256 129.99707 1.00000 None parabolic box sum 182 209 4.79146 1.13891 67.27139 77ThrHb 77ThrHg2* 77ThrCb 2.46065e+07 4.09740e+08 28.73659 47.12987 130.59916 1.00000 None parabolic box sum 183 210 4.78464 2.78908 53.44324 44AspHa 44AspHbb 44AspCa 9.62302e+06 1.70399e+08 30.29227 52.82676 145.68439 1.00000 None parabolic box sum 184 211 4.78089 2.63896 53.40489 44AspHa 44AspHba 44AspCa 1.31831e+07 2.50461e+08 34.88541 57.27660 147.08051 1.00000 None parabolic box sum 185 212 4.77749 1.09632 53.37585 44AspHa 45ThrHg2* 44AspCa 2.87303e+06 5.04080e+07 51.57351 47.53719 149.80473 1.00000 None parabolic box sum 186 213 4.78526 8.32671 53.61276 44AspHa 44AspH 44AspCa 5.93440e+06 9.58915e+07 26.83997 48.94011 124.83667 1.00000 None parabolic box sum 187 214 4.78454 8.12838 53.41643 44AspHa 45ThrH 44AspCa 1.07977e+07 1.82767e+08 27.11833 50.17978 146.32185 1.00000 None parabolic box sum 188 215 4.72578 7.37443 53.71875 14LeuHa 14LeuH 14LeuCa 1.01018e+07 1.72175e+08 29.96445 47.72672 133.87348 1.00000 None parabolic box sum 189 216 4.72179 7.16628 53.65975 14LeuHa 19GlnHe2b 14LeuCa 1.95494e+06 3.18243e+07 47.23907 45.81614 144.57663 1.00000 None parabolic box sum 190 217 4.72589 8.87435 53.70148 14LeuHa 15ThrH 14LeuCa 2.44264e+07 4.26356e+08 30.77745 49.50003 134.85188 1.00000 None parabolic box sum 191 218 4.72598 2.39937 53.69238 14LeuHa 18GluHbb 14LeuCa 5.17149e+06 9.24840e+07 28.43082 73.39733 142.52915 1.00000 None parabolic box sum 192 219 4.72413 2.28426 53.77809 14LeuHa 18GluHga 14LeuCa 2.45157e+06 5.02198e+07 31.49211 150.07550 217.03466 1.00000 None parabolic box sum 193 220 4.72649 1.91550 53.68473 14LeuHa 14LeuHg 14LeuCa 1.02615e+07 1.87260e+08 31.44264 55.07358 144.01806 1.00000 None parabolic box sum 194 221 4.72618 1.74198 53.71337 14LeuHa 14LeuHba 14LeuCa 1.45898e+07 2.72278e+08 30.64454 95.36265 138.56720 1.00000 None parabolic box sum 195 222 4.72472 2.08274 53.66366 14LeuHa 18GluHba 14LeuCa 3.74982e+06 7.00986e+07 36.11147 66.93438 153.41849 1.00000 None parabolic box sum 196 223 4.72420 1.41811 53.62790 14LeuHa 15ThrHg2* 14LeuCa 6.52329e+06 1.01676e+08 33.65099 50.46128 117.67414 1.00000 None parabolic box sum 197 224 4.72643 0.86023 53.70161 14LeuHa 14LeuHda* 14LeuCa 4.71012e+07 8.17325e+08 30.38645 49.13023 137.96299 1.00000 None parabolic box sum 198 225 4.75064 9.29224 52.78909 73AsnHa 74LeuH 73AsnCa 3.08078e+07 5.26127e+08 29.05488 49.47275 135.24965 1.00000 None parabolic box sum 199 226 4.75057 8.55577 52.80563 73AsnHa 73AsnH 73AsnCa 7.50872e+06 1.23060e+08 27.85683 47.19069 139.49875 1.00000 None parabolic box sum 200 227 4.75066 2.71616 52.77364 73AsnHa 73AsnHbb 73AsnCa 2.77492e+07 5.00817e+08 28.76461 69.67691 136.00680 1.00000 None parabolic box sum 201 228 4.75230 3.33874 55.77762 37TyrHa 37TyrHbb 37TyrCa 1.30656e+07 2.21864e+08 27.10581 52.44412 142.30669 1.00000 None parabolic box sum 202 229 4.75283 2.92857 55.77727 37TyrHa 37TyrHba 37TyrCa 9.51287e+06 1.61172e+08 27.52721 54.98240 139.73269 1.00000 None parabolic box sum 203 230 4.75095 1.49103 55.78401 37TyrHa 38AlaHb* 37TyrCa 6.60407e+06 1.16852e+08 28.34022 50.11250 159.69118 1.00000 None parabolic box sum 204 231 4.75291 7.03179 55.78471 37TyrHa 37TyrHd* 37TyrCa 1.53397e+07 2.56839e+08 28.34558 45.83585 143.14454 1.00000 None parabolic box sum 205 232 4.75646 6.85686 55.84251 37TyrHa 37TyrHe* 37TyrCa 2.07708e+06 3.57166e+07 25.96259 56.32360 123.89847 1.00000 None parabolic box sum 206 235 4.75357 8.19959 55.77093 37TyrHa 37TyrH 37TyrCa 9.40002e+06 1.57064e+08 29.69444 48.72082 136.07208 1.00000 None parabolic box sum 207 236 4.75729 8.83396 55.89251 37TyrHa 38AlaH 37TyrCa 3.17955e+06 5.53537e+07 41.29529 39.13670 152.01300 1.00000 None parabolic box sum 208 240 3.84424 7.66214 61.88239 79IleHa 79IleH 79IleCa 1.59964e+07 2.74622e+08 27.72748 65.31397 136.13163 1.00000 None parabolic box sum 209 241 3.84323 8.02366 61.80185 79IleHa 81AspH 79IleCa 2.30706e+06 3.38479e+07 23.34654 47.78425 130.54233 1.00000 None parabolic box sum 210 242 3.84362 7.02484 61.87305 79IleHa 49PheHe* 79IleCa 5.48346e+06 9.03608e+07 26.73268 121.30282 137.08041 1.00000 None parabolic box sum 211 243 3.84419 6.91198 61.87192 79IleHa 49PheHd* 79IleCa 5.08723e+06 8.52253e+07 27.24886 124.02464 140.93506 1.00000 None parabolic box sum 212 244 3.84502 3.13185 61.91762 79IleHa 82HisHbb 79IleCa 2.23761e+06 4.01972e+07 29.88994 63.31709 136.21384 1.00000 None parabolic box sum 213 245 3.84540 2.35679 61.90929 79IleHa 81AspHbb 79IleCa 2.88847e+06 5.22739e+07 29.31297 128.94909 134.27881 1.00000 None parabolic box sum 214 246 3.84500 1.74979 61.87312 79IleHa 78LeuHba 79IleCa 2.39004e+06 3.73614e+07 23.80610 65.79166 133.00148 1.00000 None parabolic box sum 215 247 3.84406 1.30437 61.87686 79IleHa 79IleHb 79IleCa 3.26155e+07 5.77129e+08 29.03759 64.40567 138.39280 1.00000 None parabolic box sum 216 250 3.84334 1.04405 61.90750 79IleHa 78LeuHdb* 79IleCa 3.17963e+06 4.63055e+07 21.69251 47.90390 136.98882 1.00000 None parabolic box sum 217 251 3.84056 0.89122 61.84518 79IleHa 88ValHga* 79IleCa 1.83314e+06 2.88283e+07 25.68662 219.86549 106.28880 1.00000 None parabolic box sum 218 252 3.84631 0.64330 61.88406 79IleHa 79IleHg1b 79IleCa 5.19296e+06 9.07213e+07 30.09558 59.29607 131.34391 1.00000 None parabolic box sum 219 253 3.84469 0.11825 61.86367 79IleHa 79IleHg1a 79IleCa 5.13722e+06 9.37292e+07 30.55334 127.55633 139.74297 1.00000 None parabolic box sum 220 255 3.84385 0.80218 61.80082 79IleHa 78LeuHda* 79IleCa 3.54074e+06 5.00655e+07 21.48926 78.23896 116.22090 1.00000 None parabolic box sum 221 256 3.84234 0.24011 61.81260 79IleHa 62LeuHda* 79IleCa 1.53297e+06 2.27976e+07 25.95484 195.33282 128.65838 1.00000 None parabolic box sum 222 257 3.84394 -0.14497 61.87816 79IleHa 79IleHg2* 79IleCa 3.26216e+07 5.44695e+08 28.95176 47.34528 137.90163 1.00000 None parabolic box sum 223 258 3.69246 4.04000 63.68569 75SerHba 75SerHbb 75SerCb 1.01794e+08 1.63298e+09 26.29638 48.82843 128.99842 1.00000 None parabolic box sum 224 265 4.03745 9.04155 63.69891 75SerHbb 75SerH 75SerCb 6.71466e+06 1.04202e+08 25.88451 50.62906 125.00986 1.00000 None parabolic box sum 225 266 3.69230 9.04140 63.68458 75SerHba 75SerH 75SerCb 5.71058e+06 9.21056e+07 26.65043 49.38172 126.22674 1.00000 None parabolic box sum 226 267 4.17109 8.88794 60.42115 67GlnHa 67GlnH 67GlnCa 1.41047e+07 2.37973e+08 29.48284 48.02673 134.67416 1.00000 None parabolic box sum 227 268 4.17275 8.64321 60.40171 67GlnHa 71GlyH 67GlnCa 3.69836e+06 6.52468e+07 32.09889 47.51679 131.15923 1.00000 None parabolic box sum 228 270 4.17266 8.28681 60.38458 67GlnHa 68ThrH 67GlnCa 4.60308e+06 7.80445e+07 31.47542 43.71535 132.45591 1.00000 None parabolic box sum 229 271 4.17130 7.74677 60.42168 67GlnHa 72LeuH 67GlnCa 7.35838e+06 1.19313e+08 28.56791 41.00278 130.89778 1.00000 None parabolic box sum 230 272 4.16891 7.61449 60.48290 67GlnHa 70ThrH 67GlnCa 2.65562e+06 3.98903e+07 27.90093 36.44125 121.74702 1.00000 None parabolic box sum 231 273 4.16966 7.43007 60.37584 67GlnHa 67GlnHe2b 67GlnCa 3.17190e+06 5.62862e+07 33.60569 52.15028 136.09445 1.00000 None parabolic box sum 232 275 4.17112 2.28118 60.43387 67GlnHa 67GlnHba 67GlnCa 1.58522e+07 2.70253e+08 30.18737 52.73518 122.74688 1.00000 None parabolic box sum 233 276 4.17109 2.86169 60.40090 67GlnHa 67GlnHgb 67GlnCa 9.91242e+06 1.72584e+08 30.32625 52.80605 130.96609 1.00000 None parabolic box sum 234 277 4.17216 2.61121 60.40925 67GlnHa 67GlnHga 67GlnCa 1.78389e+07 3.35499e+08 31.21376 88.72810 133.84356 1.00000 None parabolic box sum 235 279 4.17188 1.29369 60.43701 67GlnHa 70ThrHg2* 67GlnCa 5.15918e+06 9.52405e+07 32.91011 65.80281 125.89517 1.00000 None parabolic box sum 236 280 4.16647 0.92632 60.48583 67GlnHa 74LeuHdb* 67GlnCa 2.55748e+06 4.37217e+07 27.64404 153.28786 116.90913 1.00000 None parabolic box sum 237 281 4.17092 0.81368 60.40910 67GlnHa 74LeuHda* 67GlnCa 1.60537e+07 2.78196e+08 29.65331 58.48980 133.80608 1.00000 None parabolic box sum 238 282 4.08477 0.09306 60.18926 54PheHa 35LeuHda* 54PheCa 8.23400e+06 1.43185e+08 30.02763 53.35711 137.11063 1.00000 None parabolic box sum 239 283 4.08796 1.25872 60.16792 54PheHa 58ThrHg2* 54PheCa 4.94401e+06 8.93166e+07 30.92110 54.41781 141.39751 1.00000 None parabolic box sum 240 284 4.08510 2.83576 60.18969 54PheHa 54PheHbb 54PheCa 1.04034e+07 1.85214e+08 31.09515 59.57797 136.86127 1.00000 None parabolic box sum 241 285 4.08488 2.67166 60.18200 54PheHa 54PheHba 54PheCa 1.59550e+07 2.85264e+08 30.83825 59.93751 138.94169 1.00000 None parabolic box sum 242 286 4.08417 7.23047 60.25748 54PheHa 54PheHe* 54PheCa 1.89198e+06 3.45225e+07 26.65520 212.46846 146.27560 1.00000 None parabolic box sum 243 287 4.08067 7.39487 60.15469 54PheHa 54PheHd* 54PheCa 1.07454e+07 2.06206e+08 50.22287 61.28269 142.31667 1.00000 None parabolic box sum 244 288 4.08469 8.14932 60.19200 54PheHa 54PheH 54PheCa 4.01460e+07 6.96791e+08 30.15578 49.99384 139.60091 1.00000 None parabolic box sum 245 289 4.08692 9.04005 60.25046 54PheHa 58ThrH 54PheCa 2.43243e+06 4.49128e+07 29.19555 82.59086 145.54807 1.00000 None parabolic box sum 246 290 3.84489 9.16247 59.13376 19GlnHa 19GlnH 19GlnCa 1.27894e+07 2.20319e+08 30.88653 47.30123 137.57459 1.00000 None parabolic box sum 247 291 3.84742 8.51827 59.11338 19GlnHa 22ValH 19GlnCa 6.38778e+06 1.15658e+08 32.78553 53.38806 135.20492 1.00000 None parabolic box sum 248 292 3.84343 8.00862 59.12516 19GlnHa 20ArgH 19GlnCa 6.11539e+06 1.09286e+08 28.55837 60.19303 138.36287 1.00000 None parabolic box sum 249 293 3.83957 7.15899 59.16732 19GlnHa 19GlnHe2b 19GlnCa 2.19038e+06 3.96822e+07 32.15432 51.84967 151.72798 1.00000 None parabolic box sum 250 295 3.59483 8.44121 57.94884 92LeuHa 92LeuH 92LeuCa 1.46616e+07 2.56089e+08 31.29840 48.62676 137.34397 1.00000 None parabolic box sum 251 296 3.59351 7.64514 57.92600 92LeuHa 93LeuH 92LeuCa 5.24883e+06 9.76216e+07 30.58314 74.11342 139.35094 1.00000 None parabolic box sum 252 297 3.59472 7.47283 57.93139 92LeuHa 95GlnH 92LeuCa 5.10436e+06 8.79177e+07 31.73292 48.10238 132.88904 1.00000 None parabolic box sum 253 298 3.59519 6.62389 57.90887 92LeuHa 95GlnHe2b 92LeuCa 4.66512e+06 7.81761e+07 30.29108 43.31231 138.23714 1.00000 None parabolic box sum 254 299 3.59471 6.41189 57.97016 92LeuHa 95GlnHe2a 92LeuCa 1.73680e+06 2.78666e+07 25.01190 51.06131 146.31913 1.00000 None parabolic box sum 255 300 3.59351 6.18773 57.89602 92LeuHa 91HisHd2 92LeuCa 2.50003e+06 4.56906e+07 33.73086 48.80275 145.09530 1.00000 None parabolic box sum 256 301 3.59485 4.20243 57.91974 92LeuHa 91HisHa 92LeuCa 2.29652e+06 3.72499e+07 29.02448 62.11505 151.48919 1.00000 None parabolic box sum 257 302 3.59437 2.26620 57.94159 92LeuHa 95GlnHbb 92LeuCa 1.33999e+07 2.40076e+08 30.80070 125.81358 136.47983 1.00000 None parabolic box sum 258 303 3.59541 2.14261 57.92269 92LeuHa 92LeuHg 92LeuCa 1.01900e+07 1.84916e+08 30.70235 138.52287 140.32028 1.00000 None parabolic box sum 259 304 3.59479 1.95855 57.94308 92LeuHa 92LeuHbb 92LeuCa 2.19455e+07 4.02299e+08 31.35443 62.48613 138.86885 1.00000 None parabolic box sum 260 307 3.59541 0.91003 57.94367 92LeuHa 92LeuHba 92LeuCa 7.51194e+06 1.34375e+08 31.95941 158.96682 133.33728 1.00000 None parabolic box sum 261 308 3.59518 0.77353 57.94150 92LeuHa 92LeuHda* 92LeuCa 6.30323e+07 1.13159e+09 31.89266 54.89480 137.41742 1.00000 None parabolic box sum 262 309 3.89102 1.82934 57.39356 93LeuHa 93LeuHbb 93LeuCa 2.83328e+07 5.03459e+08 30.09617 65.60134 137.26236 1.00000 None parabolic box sum 263 310 3.89246 1.64977 57.40679 93LeuHa 96IleHg1b 93LeuCa 6.74061e+06 1.15822e+08 28.48685 54.65033 135.53226 1.00000 None parabolic box sum 264 311 3.89096 1.49153 57.38525 93LeuHa 93LeuHba 93LeuCa 2.31572e+07 4.08760e+08 29.97041 58.01598 138.24469 1.00000 None parabolic box sum 265 313 3.89074 1.23271 57.39611 93LeuHa 96IleHg1a 93LeuCa 1.24516e+07 2.11746e+08 28.98455 51.19470 138.70956 1.00000 None parabolic box sum 266 314 3.87979 1.07177 57.51464 93LeuHa 93LeuHdb* 93LeuCa 1.60951e+06 2.58643e+07 28.38194 47.18482 135.69971 1.00000 None parabolic box sum 267 315 3.88714 0.92590 57.42681 93LeuHa 96IleHg2* 93LeuCa 5.58786e+06 9.30640e+07 30.59387 167.15460 129.36596 1.00000 None parabolic box sum 268 316 3.89072 0.79939 57.38922 93LeuHa 93LeuHda* 93LeuCa 6.44058e+07 1.13563e+09 30.23565 57.60588 137.10398 1.00000 None parabolic box sum 269 317 3.89762 8.44584 57.46092 93LeuHa 92LeuH 93LeuCa 1.74582e+06 2.80619e+07 24.40214 51.94244 133.44700 1.00000 None parabolic box sum 270 318 3.89131 7.64518 57.39393 93LeuHa 93LeuH 93LeuCa 1.83905e+07 3.24129e+08 29.27244 62.00167 139.09101 1.00000 None parabolic box sum 271 319 3.88370 7.46642 57.35482 93LeuHa 95GlnH 93LeuCa 3.30529e+06 6.03246e+07 32.87673 176.10674 134.44263 1.00000 None parabolic box sum 272 320 3.89170 7.30923 57.38332 93LeuHa 96IleH 93LeuCa 6.11067e+06 1.02339e+08 28.76461 47.29889 144.42731 1.00000 None parabolic box sum 273 321 4.12841 7.60726 53.99854 12AlaHa 11LeuH 12AlaCa 2.28520e+06 3.71047e+07 26.26538 57.33055 124.07257 1.00000 None parabolic box sum 274 322 4.12993 7.33754 53.95909 12AlaHa 12AlaH 12AlaCa 2.66077e+07 4.55754e+08 28.07081 50.66753 138.67420 1.00000 None parabolic box sum 275 323 4.12929 7.17503 53.88881 12AlaHa 19GlnHe2b 12AlaCa 3.78953e+06 6.34164e+07 28.11432 57.45836 137.01996 1.00000 None parabolic box sum 276 324 4.12998 8.74568 53.96378 12AlaHa 13GlyH 12AlaCa 9.49432e+06 1.60711e+08 27.30250 51.30907 139.52988 1.00000 None parabolic box sum 277 325 4.13160 6.80940 53.97128 12AlaHa 19GlnHe2a 12AlaCa 3.21103e+06 5.43788e+07 28.42307 49.62555 154.21976 1.00000 None parabolic box sum 278 327 4.13042 1.46175 53.94822 12AlaHa 12AlaHb* 12AlaCa 7.22764e+07 1.25662e+09 31.07369 46.98733 142.61167 1.00000 None parabolic box sum 279 328 4.12772 1.95331 53.95456 12AlaHa 99IleHb 12AlaCa 3.40253e+06 5.61397e+07 24.13690 54.96886 143.07593 1.00000 None parabolic box sum 280 329 4.13342 1.77616 54.06138 12AlaHa 11LeuHbb 12AlaCa 2.54984e+06 4.38176e+07 100.66628 69.07490 143.33466 1.00000 None parabolic box sum 281 330 4.12966 0.90274 53.96773 12AlaHa 99IleHg2* 12AlaCa 6.32034e+06 1.08214e+08 27.35794 66.73809 132.87634 1.00000 None parabolic box sum 282 331 4.31451 1.25718 53.99063 69AlaHa 68ThrHg2* 69AlaCa 1.14149e+07 2.19642e+08 32.38082 53.28225 136.98217 1.00000 None parabolic box sum 283 333 4.32110 0.92041 53.90549 69AlaHa 26LeuHdb* 69AlaCa 9.56244e+06 1.70476e+08 27.22502 51.15090 306.77864 1.00000 None parabolic box sum 284 336 4.32315 1.54373 53.79342 69AlaHa 69AlaHb* 69AlaCa 8.37987e+07 1.47705e+09 28.96905 46.96703 153.70865 1.00000 None parabolic box sum 285 337 4.32587 8.28911 53.80323 69AlaHa 68ThrH 69AlaCa 1.78184e+06 2.90954e+07 23.32687 59.78481 126.36971 1.00000 None parabolic box sum 286 339 4.32266 8.01033 53.86705 69AlaHa 69AlaH 69AlaCa 2.17459e+07 3.70848e+08 27.87948 47.05960 142.80118 1.00000 None parabolic box sum 287 340 4.32066 7.63532 53.87237 69AlaHa 70ThrH 69AlaCa 4.36990e+06 7.87082e+07 29.63960 49.98001 292.64520 1.00000 None parabolic box sum 288 341 4.34658 1.48682 52.68827 38AlaHa 38AlaHb* 38AlaCa 1.34255e+08 2.06095e+09 23.70834 45.58899 138.45234 1.00000 None parabolic box sum 289 342 4.34704 8.02780 52.57125 38AlaHa 39SerH 38AlaCa 5.56090e+06 9.02281e+07 28.10001 49.41203 350.92960 1.00000 None parabolic box sum 290 343 4.42609 8.30656 52.73103 4AlaHa 7LeuH 4AlaCa 1.73717e+06 3.11705e+07 26.84534 72.74623 128.49516 1.00000 None parabolic box sum 291 344 4.42610 8.14779 52.66657 4AlaHa 5ThrH 4AlaCa 1.00433e+07 1.62168e+08 26.05855 50.49712 132.82980 1.00000 None parabolic box sum 292 345 4.42678 1.40489 52.61612 4AlaHa 4AlaHb* 4AlaCa 1.31234e+08 1.87751e+09 20.94567 45.23224 135.79522 1.00000 None parabolic box sum 293 346 3.99778 0.09615 55.05984 35LeuHa 35LeuHda* 35LeuCa 6.21323e+07 1.09950e+09 32.32479 47.28317 139.07468 1.00000 None parabolic box sum 294 347 3.99942 1.00931 55.07054 35LeuHa 35LeuHg 35LeuCa 7.34542e+06 1.30393e+08 32.01127 50.85586 143.27028 1.00000 None parabolic box sum 295 348 3.99597 0.85862 55.02742 35LeuHa 34ValHga* 35LeuCa 2.25361e+06 3.69113e+07 27.03190 50.98606 125.87189 1.00000 None parabolic box sum 296 349 3.99794 0.62896 55.07542 35LeuHa 35LeuHdb* 35LeuCa 8.67353e+06 1.56830e+08 33.20634 52.43935 133.31582 1.00000 None parabolic box sum 297 351 3.99791 1.39933 55.06546 35LeuHa 35LeuHbb 35LeuCa 2.50408e+07 4.64352e+08 32.07386 60.51643 139.67647 1.00000 None parabolic box sum 298 352 3.99789 1.16853 55.05534 35LeuHa 35LeuHba 35LeuCa 1.99653e+07 3.61017e+08 31.68166 59.70817 135.24209 1.00000 None parabolic box sum 299 353 3.99681 2.25073 55.15890 35LeuHa 34ValHb 35LeuCa 1.88187e+06 3.54018e+07 30.53367 57.26704 161.73291 1.00000 None parabolic box sum 300 355 3.99667 7.76926 55.07494 35LeuHa 36GlyH 35LeuCa 5.77306e+06 9.89240e+07 34.39367 130.69234 135.73809 1.00000 None parabolic box sum 301 356 3.99729 7.64683 55.07264 35LeuHa 35LeuH 35LeuCa 1.67814e+07 2.99093e+08 32.72831 49.80611 138.40368 1.00000 None parabolic box sum 302 358 4.34520 7.60734 54.89937 11LeuHa 11LeuH 11LeuCa 1.25013e+07 2.21739e+08 31.34549 48.69425 144.05040 1.00000 None parabolic box sum 303 359 4.34637 7.33790 54.92768 11LeuHa 12AlaH 11LeuCa 8.03211e+06 1.43967e+08 31.67331 51.80090 141.08438 1.00000 None parabolic box sum 304 360 4.34736 7.15285 54.84823 11LeuHa 19GlnHe2b 11LeuCa 2.04445e+06 3.40184e+07 26.52049 46.87545 157.93840 1.00000 None parabolic box sum 305 361 4.34906 6.81430 55.01674 11LeuHa 19GlnHe2a 11LeuCa 1.66396e+06 2.78938e+07 26.63255 45.45422 173.26212 1.00000 None parabolic box sum 306 362 4.34310 3.84189 54.99401 11LeuHa 19GlnHa 11LeuCa 2.92255e+06 5.38206e+07 32.15611 47.80157 166.55176 1.00000 None parabolic box sum 307 363 4.34944 2.86545 55.03854 11LeuHa 19GlnHgb 11LeuCa 2.51509e+06 4.72040e+07 30.14982 55.01465 226.58319 1.00000 None parabolic box sum 308 364 4.34474 0.89711 54.89977 11LeuHa 14LeuHdb* 11LeuCa 3.81920e+07 6.84457e+08 32.56917 129.08447 141.30411 1.00000 None parabolic box sum 309 365 4.34526 0.77306 54.92259 11LeuHa 11LeuHdb* 11LeuCa 5.62379e+07 1.01858e+09 32.97389 53.42161 152.20524 1.00000 None parabolic box sum 310 366 3.91973 0.74488 50.73626 97ProHdb 96IleHd1* 97ProCd 3.90412e+06 6.87817e+07 29.79696 165.75307 131.69271 1.00000 None parabolic box sum 311 367 3.67565 0.74876 50.74360 97ProHda 96IleHd1* 97ProCd 4.47758e+06 7.94715e+07 29.45542 171.65859 126.88082 1.00000 None parabolic box sum 312 368 3.67478 0.91270 50.73919 97ProHda 96IleHg2* 97ProCd 1.94390e+07 3.37233e+08 30.56943 54.43055 127.86738 1.00000 None parabolic box sum 313 369 3.91811 0.90754 50.74797 97ProHdb 96IleHg2* 97ProCd 1.37704e+07 2.43522e+08 31.07131 56.10043 125.94806 1.00000 None parabolic box sum 314 370 3.67365 1.27240 50.73010 97ProHda 96IleHg1a 97ProCd 5.45722e+06 1.02836e+08 32.79567 75.85995 127.96742 1.00000 None parabolic box sum 315 372 3.91727 2.01761 50.74766 97ProHdb 97ProHga 97ProCd 2.72993e+07 5.27616e+08 31.32045 113.53869 129.17614 1.00000 None parabolic box sum 316 373 3.91907 1.64221 50.77669 97ProHdb 96IleHg1b 97ProCd 2.04677e+06 3.30484e+07 26.49844 49.31817 123.74492 1.00000 None parabolic box sum 317 374 3.67309 2.05163 50.65211 97ProHda 97ProHgb 97ProCd 4.19940e+07 7.78072e+08 31.19767 119.14200 132.90445 1.00000 None parabolic box sum 318 376 3.91534 2.30545 50.73759 97ProHdb 97ProHbb 97ProCd 8.69439e+06 1.48390e+08 31.83722 48.89930 127.58568 1.00000 None parabolic box sum 319 377 3.67279 2.30510 50.63592 97ProHda 97ProHbb 97ProCd 1.35261e+07 2.45386e+08 30.82454 61.70295 133.36811 1.00000 None parabolic box sum 320 378 3.91774 3.67853 50.75311 97ProHdb 97ProHda 97ProCd 1.01117e+08 1.74545e+09 30.22015 50.90882 129.56333 1.00000 None parabolic box sum 321 379 3.67469 3.92068 50.74609 97ProHda 97ProHdb 97ProCd 1.04918e+08 1.78486e+09 29.68788 50.28211 128.14666 1.00000 None parabolic box sum 322 380 3.67556 4.47120 50.70629 97ProHda 97ProHa 97ProCd 4.06268e+06 6.46096e+07 32.93633 39.09897 123.63974 1.00000 None parabolic box sum 323 381 3.67495 4.33442 50.74644 97ProHda 96IleHa 97ProCd 3.62793e+07 6.15567e+08 29.77729 50.29008 128.23401 1.00000 None parabolic box sum 324 385 3.91829 4.46987 50.73669 97ProHdb 97ProHa 97ProCd 4.40873e+06 7.10224e+07 31.46291 39.96896 130.74666 1.00000 None parabolic box sum 325 386 3.91693 4.33426 50.75149 97ProHdb 96IleHa 97ProCd 3.91057e+07 6.82351e+08 31.35383 50.01654 128.98844 1.00000 None parabolic box sum 326 389 3.66891 3.42718 50.42664 83ProHdb 83ProHda 83ProCd 4.71229e+07 8.14415e+08 31.50761 52.25102 124.32888 1.00000 None parabolic box sum 327 390 3.42337 3.67291 50.42565 83ProHda 83ProHdb 83ProCd 4.58494e+07 8.07921e+08 33.66768 53.10268 124.18471 1.00000 None parabolic box sum 328 391 3.66911 4.97031 50.42047 83ProHdb 82HisHa 83ProCd 7.99818e+06 1.38061e+08 30.43592 53.70171 128.34585 1.00000 None parabolic box sum 329 392 3.42386 4.97068 50.42045 83ProHda 82HisHa 83ProCd 8.27763e+06 1.44494e+08 33.19621 52.27849 123.22051 1.00000 None parabolic box sum 330 393 3.67079 7.68887 50.40704 83ProHdb 82HisH 83ProCd 2.36257e+06 4.17729e+07 31.86643 52.89992 120.54314 1.00000 None parabolic box sum 331 394 3.42268 7.68573 50.42432 83ProHda 82HisH 83ProCd 3.02010e+06 5.12092e+07 31.74961 47.05034 118.27986 1.00000 None parabolic box sum 332 395 3.42275 7.33098 50.42650 83ProHda 84ThrH 83ProCd 2.71584e+06 4.56264e+07 34.31797 48.90567 123.74795 1.00000 None parabolic box sum 333 396 3.67176 3.11160 50.43089 83ProHdb 82HisHbb 83ProCd 1.60602e+06 2.73895e+07 29.76537 62.83811 125.83441 1.00000 None parabolic box sum 334 397 3.42596 3.11550 50.41617 83ProHda 82HisHbb 83ProCd 1.55691e+06 2.94496e+07 33.88643 82.69716 128.36066 1.00000 None parabolic box sum 335 398 3.66956 1.74322 50.42773 83ProHdb 87AlaHb* 83ProCd 1.35754e+07 2.33330e+08 32.37009 50.26778 125.68359 1.00000 None parabolic box sum 336 399 3.42263 1.74189 50.43004 83ProHda 87AlaHb* 83ProCd 9.27669e+06 1.60867e+08 33.27310 50.32870 125.91149 1.00000 None parabolic box sum 337 401 3.42179 2.29686 50.42098 83ProHda 83ProHbb 83ProCd 7.63348e+06 1.38854e+08 33.68497 113.48016 127.21995 1.00000 None parabolic box sum 338 402 3.42332 2.05740 50.41760 83ProHda 83ProHgb 83ProCd 1.72946e+07 3.09165e+08 33.21290 109.69046 125.47866 1.00000 None parabolic box sum 339 403 3.42367 1.95311 50.43440 83ProHda 83Pro(Hga/Hba) 83ProCd 1.22354e+07 2.22342e+08 34.50394 122.58649 126.35792 1.00000 None parabolic box sum 340 404 3.42766 1.01163 50.42464 83ProHda 84ThrHg2* 83ProCd 1.87726e+06 3.22752e+07 30.54559 57.46533 127.35717 1.00000 None parabolic box sum 341 405 4.33884 1.25295 45.68143 71GlyHab 3ThrHg2* 71GlyCa 4.99506e+06 8.68400e+07 35.94935 45.72715 151.30100 1.00000 None parabolic box sum 342 407 4.33212 0.90700 45.67992 71GlyHab 6LeuHdb* 71GlyCa 6.36274e+06 1.25656e+08 38.18631 70.41311 132.62494 1.00000 None parabolic box sum 343 408 4.32841 1.67070 45.68678 71GlyHab 6LeuHbb 71GlyCa 2.57091e+06 4.65010e+07 32.34208 120.70598 124.05432 1.00000 None parabolic box sum 344 409 4.33355 1.56662 45.74408 71GlyHab {*}(Hbb/Hba/Hg) 71GlyCa 3.27816e+06 6.25562e+07 29.62947 112.43857 168.19157 1.00000 None parabolic box sum 345 411 4.32886 3.87881 45.68894 71GlyHab 71GlyHaa 71GlyCa 5.12627e+07 9.60584e+08 36.96740 56.05783 132.64195 1.00000 None parabolic box sum 346 412 3.87461 4.33286 45.68981 71GlyHaa 71GlyHab 71GlyCa 5.32021e+07 9.94524e+08 35.66623 58.77727 133.58823 1.00000 None parabolic box sum 347 413 4.32913 7.74084 45.68520 71GlyHab 72LeuH 71GlyCa 4.78810e+06 8.22129e+07 31.68225 50.38215 134.68727 1.00000 None parabolic box sum 348 414 4.32946 8.64738 45.69535 71GlyHab 71GlyH 71GlyCa 1.61281e+07 2.95827e+08 37.01150 49.60653 131.76934 1.00000 None parabolic box sum 349 415 3.87432 8.64780 45.70070 71GlyHaa 71GlyH 71GlyCa 2.10638e+07 3.80519e+08 35.19058 49.96607 133.72379 1.00000 None parabolic box sum 350 416 4.39666 0.62742 44.89490 53GlyHab 35LeuHdb* 53GlyCa 1.83964e+06 3.30126e+07 38.16903 55.54739 115.08752 1.00000 None parabolic box sum 351 418 3.82970 4.08376 45.51099 13GlyHaa 13GlyHab 13GlyCa 1.09934e+08 2.07292e+09 36.21817 54.96050 145.86937 1.00000 None parabolic box sum 352 419 4.07982 3.83312 45.49818 13GlyHab 13GlyHaa 13GlyCa 1.04725e+08 2.02401e+09 38.28585 54.31349 144.99264 1.00000 None parabolic box sum 353 420 3.83897 8.20502 45.95162 100GlyHab 100GlyH 100GlyCa 3.56720e+07 6.09701e+08 29.55616 45.27982 134.83205 1.00000 None parabolic box sum 354 421 3.76446 8.20500 45.98558 100GlyHaa 100GlyH 100GlyCa 2.77447e+07 4.82232e+08 32.01663 44.63291 129.62302 1.00000 None parabolic box sum 355 424 3.76331 1.93878 45.99090 100GlyHaa 99IleHb 100GlyCa 1.86258e+06 3.70291e+07 35.91537 142.42643 151.64656 1.00000 None parabolic box sum 356 426 3.76013 1.49215 45.98064 100GlyHaa 99IleHg1b 100GlyCa 3.85513e+06 7.00107e+07 27.60649 81.43659 140.84499 1.00000 None parabolic box sum 357 428 3.76190 0.80761 45.98683 100GlyHaa 99IleHd1* 100GlyCa 6.11890e+06 1.07625e+08 27.65179 67.12232 131.21213 1.00000 None parabolic box sum 358 429 3.84082 0.82026 45.89991 100GlyHab 99IleHd1* 100GlyCa 5.52540e+06 1.11001e+08 39.28483 108.78425 143.28052 1.00000 None parabolic box sum 359 430 3.84044 1.94483 45.84514 100GlyHaa 99IleHb 100GlyCa 2.27757e+06 4.01435e+07 31.04031 54.21275 156.72546 1.00000 None parabolic box sum 360 431 3.84198 1.51001 45.86117 100GlyHaa 99IleHg1b 100GlyCa 4.85733e+06 9.64841e+07 32.06015 101.20646 155.68264 1.00000 None parabolic box sum 361 436 3.96778 1.29197 45.53522 98GlyHaa 99IleHg1a 98GlyCa 4.26811e+06 7.63070e+07 29.92034 79.37770 140.35243 1.00000 None parabolic box sum 362 438 3.96627 0.90429 45.51787 98GlyHaa (99Ile/96Ile)Hg2* 98GlyCa 5.56799e+06 9.91367e+07 31.40867 57.86190 132.50057 1.00000 None parabolic box sum 363 439 3.96505 7.81060 45.52638 98GlyHaa 99IleH 98GlyCa 2.04129e+07 3.48836e+08 28.97143 46.30807 137.16372 1.00000 None parabolic box sum 364 440 3.96681 8.20542 45.56825 98GlyHaa 100GlyH 98GlyCa 2.30899e+06 3.62706e+07 26.06392 39.23355 145.44576 1.00000 None parabolic box sum 365 441 3.96525 8.52271 45.53727 98GlyHaa 98GlyH 98GlyCa 2.00576e+07 3.46030e+08 28.93090 49.15850 137.03737 1.00000 None parabolic box sum 366 442 3.83232 7.37298 45.33214 13GlyHaa 14LeuH 13GlyCa 6.33969e+06 1.20149e+08 38.60831 52.19010 142.48623 1.00000 None parabolic box sum 367 443 4.08241 7.37424 45.37303 13GlyHab 14LeuH 13GlyCa 6.22225e+06 1.15009e+08 37.91869 49.53377 130.08869 1.00000 None parabolic box sum 368 444 4.07634 7.76549 45.68363 36GlyHab 36GlyH 36GlyCa 2.05851e+07 3.76047e+08 38.01405 48.35651 132.47423 1.00000 None parabolic box sum 369 445 4.07647 8.20182 45.68685 36GlyHab 37TyrH 36GlyCa 5.90865e+06 1.09947e+08 41.30542 46.70096 130.14358 1.00000 None parabolic box sum 370 446 4.08189 1.45874 45.37518 13GlyHab 12AlaHb* 13GlyCa 4.35403e+06 7.63588e+07 32.02081 59.78780 126.00488 1.00000 None parabolic box sum 371 447 3.29059 8.36148 42.69306 55AspHbb 57LeuH 55AspCb 2.68670e+06 4.74395e+07 34.41811 45.35169 138.37602 1.00000 None parabolic box sum 372 448 3.29437 8.14553 42.67223 55AspHbb 55AspH 55AspCb 2.83240e+06 4.98981e+07 32.86719 47.09006 137.11841 1.00000 None parabolic box sum 373 449 3.29207 4.93103 42.67734 55AspHbb 55AspHa 55AspCb 3.89781e+06 7.00586e+07 34.87110 48.07969 139.08481 1.00000 None parabolic box sum 374 450 2.74244 4.93047 42.65434 55AspHba 55AspHa 55AspCb 4.34120e+06 8.05032e+07 37.94253 52.37265 133.97111 1.00000 None parabolic box sum 375 451 2.74487 3.29578 42.65313 55AspHba 55AspHbb 55AspCb 3.14761e+07 5.92177e+08 36.01789 55.50598 142.56452 1.00000 None parabolic box sum 376 452 2.78611 8.32259 43.15303 44AspHbb 44AspH 44AspCb 1.32319e+07 2.44082e+08 35.51304 50.71561 144.19382 1.00000 None parabolic box sum 377 453 2.63337 8.31962 43.14911 44AspHba 44AspH 44AspCb 1.40380e+07 2.53248e+08 33.92994 49.19255 143.65407 1.00000 None parabolic box sum 378 454 2.63205 8.12940 43.20395 44AspHba 45ThrH 44AspCb 1.57173e+06 3.00182e+07 41.10992 62.16332 129.00159 1.00000 None parabolic box sum 379 455 2.63880 7.52075 43.09294 44AspHba 47GluH 44AspCb 1.76687e+06 3.14219e+07 31.11124 57.35842 132.95191 1.00000 None parabolic box sum 380 456 2.78432 7.52587 43.21285 44AspHbb 47GluH 44AspCb 1.90004e+06 3.50576e+07 35.55834 52.12261 140.84756 1.00000 None parabolic box sum 381 457 2.78746 4.79511 43.16963 44AspHbb 44AspHa 44AspCb 3.47421e+06 5.90795e+07 29.41847 47.64589 143.93131 1.00000 None parabolic box sum 382 458 2.63327 4.79252 43.10705 44AspHba 44AspHa 44AspCb 4.10981e+06 7.50732e+07 33.61583 48.31122 143.57080 1.00000 None parabolic box sum 383 461 2.78607 2.63603 43.15467 44AspHbb 44AspHba 44AspCb 7.77068e+07 1.41389e+09 33.72848 51.76526 142.78479 1.00000 None parabolic box sum 384 462 2.63351 2.78999 43.13525 44AspHba 44AspHbb 44AspCb 8.03006e+07 1.45198e+09 32.19068 51.98266 142.99024 1.00000 None parabolic box sum 385 463 2.78771 1.94652 43.18515 44AspHbb 47GluHba 44AspCb 5.37357e+06 1.02654e+08 37.71722 60.01634 144.61448 1.00000 None parabolic box sum 386 464 2.78563 2.39348 43.17079 44AspHbb 47GluHgb 44AspCb 4.34766e+06 8.36346e+07 39.88683 96.50259 145.76366 1.00000 None parabolic box sum 387 465 2.63427 2.39240 43.13520 44AspHba 47GluHgb 44AspCb 4.52526e+06 7.88494e+07 30.95925 92.27731 142.34599 1.00000 None parabolic box sum 388 466 2.78304 2.31488 43.11638 44AspHbb 47GluHga 44AspCb 3.33152e+06 6.53656e+07 38.13088 105.52172 135.20748 1.00000 None parabolic box sum 389 467 2.63346 2.31908 43.08790 44AspHba 47GluHga 44AspCb 3.66591e+06 6.65020e+07 29.61516 99.28533 141.82120 1.00000 None parabolic box sum 390 468 2.78639 2.06777 43.17135 44AspHbb 47GluHbb 44AspCb 3.25356e+06 6.17187e+07 36.95309 133.90699 148.16991 1.00000 None parabolic box sum 391 469 2.63397 2.06846 43.13851 44AspHba 47GluHbb 44AspCb 2.85006e+06 5.05715e+07 29.89411 133.99140 146.52141 1.00000 None parabolic box sum 392 470 2.63248 1.94599 43.16323 44AspHba 47GluHba 44AspCb 5.09248e+06 9.34492e+07 31.13151 56.40980 145.51271 1.00000 None parabolic box sum 393 471 2.62912 1.00856 43.17647 44AspHba (52Leu/84Thr)(Hdb*/Hg2*) 44AspCb 1.90954e+06 3.21639e+07 29.49715 53.16559 139.89379 1.00000 None parabolic box sum 394 474 2.78663 1.00344 43.12739 44AspHbb 84ThrHg2* 44AspCb 1.92045e+06 3.52122e+07 39.76703 48.39762 132.33788 1.00000 None parabolic box sum 395 475 3.23753 1.13639 38.67024 80PheHbb 77ThrHg2* 80PheCb 2.93579e+06 5.05034e+07 31.76868 49.27477 137.45490 1.00000 None parabolic box sum 396 476 2.89114 1.13925 38.61647 80PheHba 77ThrHg2* 80PheCb 3.28235e+06 6.08453e+07 42.38844 46.78467 133.28076 1.00000 None parabolic box sum 397 477 3.23800 2.89304 38.64640 80PheHbb 80PheHba 80PheCb 5.83755e+07 1.06045e+09 33.66053 55.78668 134.76967 1.00000 None parabolic box sum 398 478 2.88923 3.24142 38.65337 80PheHba 80PheHbb 80PheCb 5.29786e+07 9.98961e+08 37.26542 57.50793 133.72885 1.00000 None parabolic box sum 399 479 3.23831 4.50378 38.63995 80PheHbb 80PheHa 80PheCb 1.47078e+07 2.62653e+08 32.55904 53.26234 134.81546 1.00000 None parabolic box sum 400 480 2.88947 4.50400 38.66183 80PheHba 80PheHa 80PheCb 1.00587e+07 1.84559e+08 35.24244 54.10207 142.18776 1.00000 None parabolic box sum 401 481 3.23807 8.02792 38.64878 80PheHbb 81AspH 80PheCb 7.75166e+06 1.35289e+08 32.37128 48.26682 132.76028 1.00000 None parabolic box sum 402 482 3.23794 7.58640 38.66060 80PheHbb 80PheH 80PheCb 1.06711e+07 1.88986e+08 32.48334 52.30417 135.21172 1.00000 None parabolic box sum 403 483 3.23705 7.24603 38.65852 80PheHbb 80PheHe* 80PheCb 2.03994e+06 3.71518e+07 34.26075 161.77883 139.30682 1.00000 None parabolic box sum 404 484 3.23745 7.11878 38.64782 80PheHbb 80PheHd* 80PheCb 1.16272e+07 2.10447e+08 32.72593 57.75817 134.49613 1.00000 None parabolic box sum 405 485 2.88935 7.11711 38.65149 80PheHba 80PheHd* 80PheCb 1.08190e+07 2.06852e+08 37.62484 64.86713 133.44050 1.00000 None parabolic box sum 406 486 2.88766 7.24878 38.63834 80PheHba 80PheHe* 80PheCb 2.18427e+06 3.73449e+07 29.49178 182.04361 151.18301 1.00000 None parabolic box sum 407 487 2.89181 8.02802 38.64498 80PheHba 81AspH 80PheCb 8.52184e+06 1.55705e+08 39.72292 48.36517 133.85414 1.00000 None parabolic box sum 408 488 2.88847 7.58658 38.65460 80PheHba 80PheH 80PheCb 1.16600e+07 2.16761e+08 37.61232 53.47835 134.25765 1.00000 None parabolic box sum 409 489 2.60295 9.29955 39.85912 29AspHba 29AspH 29AspCb 1.84930e+07 3.26476e+08 33.23615 47.62638 133.45637 1.00000 None parabolic box sum 410 490 2.96763 9.29982 39.85064 29AspHbb 29AspH 29AspCb 2.07666e+07 3.83024e+08 39.68775 47.73154 135.89919 1.00000 None parabolic box sum 411 491 2.96845 8.29751 39.83317 29AspHbb 30GlnH 29AspCb 1.11369e+07 2.14053e+08 40.82501 55.54152 138.81671 1.00000 None parabolic box sum 412 492 2.60306 8.29896 39.85360 29AspHba 30GlnH 29AspCb 1.02233e+07 1.82632e+08 34.16479 48.78811 135.83436 1.00000 None parabolic box sum 413 495 2.86153 9.29370 35.65433 67GlnHgb 74LeuH 67GlnCg 2.98213e+06 5.23093e+07 39.45589 47.53092 147.16997 1.00000 None parabolic box sum 414 496 2.62811 9.29376 35.62546 67GlnHga 74LeuH 67GlnCg 3.51554e+06 6.53807e+07 44.13605 45.16411 134.75032 1.00000 None parabolic box sum 415 497 2.86001 8.88561 35.62454 67GlnHgb 67GlnH 67GlnCg 9.28684e+06 1.75857e+08 39.96193 49.86643 141.67967 1.00000 None parabolic box sum 416 498 2.63209 8.88510 35.62841 67GlnHga 67GlnH 67GlnCg 6.42392e+06 1.17618e+08 40.79044 47.82138 135.52002 1.00000 None parabolic box sum 417 499 1.29008 7.02070 36.01927 79IleHb (80Phe/49Phe)(Hz/He*) 79IleCb 3.78010e+06 7.30519e+07 32.50778 128.99130 151.49630 1.00000 None parabolic box sum 418 500 1.28934 6.91430 36.01756 79IleHb 49PheHd* 79IleCb 7.64152e+06 1.37930e+08 33.54609 64.21017 137.77076 1.00000 None parabolic box sum 419 501 1.29031 7.65397 36.02605 79IleHb 79IleH 79IleCb 1.34019e+07 2.48988e+08 36.11147 56.53652 131.73881 1.00000 None parabolic box sum 420 502 1.28925 0.11557 36.01972 79IleHb 79IleHg1a 79IleCb 1.08460e+07 2.03035e+08 35.77411 120.70199 130.83960 1.00000 None parabolic box sum 421 503 1.29145 0.01046 36.03238 79IleHb 79IleHd1* 79IleCb 2.15995e+07 4.01755e+08 37.82928 56.11636 133.47692 1.00000 None parabolic box sum 422 504 1.28960 -0.14530 36.03242 79IleHb 79IleHg2* 79IleCb 3.36890e+07 6.01463e+08 35.57146 47.02954 135.15882 1.00000 None parabolic box sum 423 505 1.29366 0.64379 36.04040 79IleHb 79IleHg1b 79IleCb 9.52703e+06 1.80616e+08 38.60056 54.94019 137.06786 1.00000 None parabolic box sum 424 506 1.29527 2.69994 36.00999 79IleHb 49PheHbb 79IleCb 3.49241e+06 6.81126e+07 38.03492 79.15791 132.39485 1.00000 None parabolic box sum 425 507 1.29054 3.84932 36.03092 79IleHb 79IleHa 79IleCb 2.07372e+07 3.81067e+08 35.79021 52.10410 134.51033 1.00000 None parabolic box sum 426 508 1.24663 8.99274 23.61768 58ThrHg2* 58ThrH 58ThrCg2 2.86937e+07 4.51269e+08 24.27340 52.84248 120.11938 1.00000 None parabolic box sum 427 509 1.25431 8.36680 23.60469 58ThrHg2* 57LeuH 58ThrCg2 4.87146e+06 5.81757e+07 16.99150 46.16414 127.25501 1.00000 None parabolic box sum 428 510 1.25317 8.15608 23.60362 58ThrHg2* 55AspH 58ThrCg2 4.71416e+06 6.90327e+07 21.75570 51.41209 142.30881 1.00000 None parabolic box sum 429 511 1.25124 7.38881 23.56208 58ThrHg2* 54PheHd* 58ThrCg2 5.32415e+06 8.20390e+07 21.28959 73.33482 135.88227 1.00000 None parabolic box sum 430 512 1.24548 7.21870 23.66199 58ThrHg2* 54PheHe* 58ThrCg2 5.61953e+06 8.92752e+07 23.84901 60.21761 122.24483 1.00000 None parabolic box sum 431 513 1.24671 4.13166 23.60111 58ThrHg2* 58ThrHa 58ThrCg2 1.09994e+08 1.78516e+09 23.77808 53.48890 144.89732 1.00000 None parabolic box sum 432 514 1.24672 2.42514 23.62190 58ThrHg2* 61GluHgb 58ThrCg2 4.19407e+06 6.28582e+07 24.34611 39.58433 122.20403 1.00000 None parabolic box sum 433 515 1.24612 2.18708 23.59175 58ThrHg2* 61GluHga 58ThrCg2 1.09906e+07 1.87709e+08 24.08326 129.53280 142.47868 1.00000 None parabolic box sum 434 516 1.24886 2.06264 23.59018 58ThrHg2* 57LeuHbb 58ThrCg2 1.40389e+07 2.22874e+08 23.22257 124.66648 151.42300 1.00000 None parabolic box sum 435 517 1.24619 1.75255 23.50153 58ThrHg2* 57LeuHba 58ThrCg2 9.38961e+06 1.38214e+08 22.71533 35.21333 279.12958 1.00000 None parabolic box sum 436 518 1.24597 0.09502 23.62284 58ThrHg2* 35LeuHda* 58ThrCg2 2.15421e+07 3.31460e+08 24.59764 45.92902 122.39929 1.00000 None parabolic box sum 437 519 1.67972 0.89372 17.30116 31AlaHb* 62LeuHdb* 31AlaCb 6.06241e+07 9.43608e+08 24.87600 62.91495 122.16232 1.00000 None parabolic box sum 438 520 1.68004 0.80055 17.30844 31AlaHb* 28LeuHda* 31AlaCb 2.71289e+07 4.53516e+08 24.91474 131.50887 122.87413 1.00000 None parabolic box sum 439 521 1.67942 0.62839 17.30461 31AlaHb* 35LeuHdb* 31AlaCb 1.10160e+07 1.69147e+08 25.05302 50.26698 125.15736 1.00000 None parabolic box sum 440 522 1.67993 0.24260 17.30619 31AlaHb* 62LeuHda* 31AlaCb 2.89190e+07 4.47101e+08 24.98031 51.67607 122.88138 1.00000 None parabolic box sum 441 523 1.67962 0.10315 17.30219 31AlaHb* 35LeuHda* 31AlaCb 3.21970e+06 4.71048e+07 22.41850 159.47726 125.31514 1.00000 None parabolic box sum 442 525 1.68116 1.35785 17.32048 31AlaHb* 35LeuHbb 31AlaCb 8.59127e+06 1.19805e+08 24.10114 83.42301 125.35564 1.00000 None parabolic box sum 443 526 1.68060 1.27734 17.32104 31AlaHb* 40ThrHg2* 31AlaCb 8.79612e+06 1.16021e+08 23.80729 38.33132 125.71049 1.00000 None parabolic box sum 444 527 1.68015 1.15934 17.29533 31AlaHb* 27ValHgb* 31AlaCb 1.39511e+07 2.03301e+08 24.27280 46.34948 122.00696 1.00000 None parabolic box sum 445 528 1.68068 1.01453 17.30655 31AlaHb* {*}(Hgb*/Hdb*/Hg) 31AlaCb 4.09970e+06 6.62663e+07 23.72444 385.47443 123.01286 1.00000 None parabolic box sum 446 529 1.67947 2.27615 17.31007 31AlaHb* (27Val/34Val)Hb 31AlaCb 6.47960e+06 9.57984e+07 24.38605 66.72216 120.80157 1.00000 None parabolic box sum 447 530 1.67902 2.21397 17.27995 31AlaHb* 34ValHb 31AlaCb 3.60656e+06 5.42418e+07 24.99044 86.95947 122.71091 1.00000 None parabolic box sum 448 531 1.67951 2.09692 17.29780 31AlaHb* 30GlnHbb 31AlaCb 6.10530e+06 7.79651e+07 25.47622 34.67222 121.10654 1.00000 None parabolic box sum 449 532 1.67964 2.01046 17.30940 31AlaHb* 30GlnHba 31AlaCb 1.20812e+07 1.52982e+08 24.54221 31.54149 124.72846 1.00000 None parabolic box sum 450 534 1.67971 4.18824 17.30734 31AlaHb* 31AlaHa 31AlaCb 6.08879e+07 9.64444e+08 25.15376 55.23682 123.43088 1.00000 None parabolic box sum 451 535 1.67985 3.99393 17.30865 31AlaHb* 28LeuHa 31AlaCb 3.64844e+07 5.73389e+08 25.10428 55.47492 122.71152 1.00000 None parabolic box sum 452 536 1.68000 3.85645 17.30682 31AlaHb* 32AlaHa 31AlaCb 7.03575e+06 1.01652e+08 24.47546 43.19326 123.80356 1.00000 None parabolic box sum 453 537 1.67895 3.43106 17.31659 31AlaHb* 27ValHa 31AlaCb 2.77733e+06 4.28431e+07 22.14015 56.74983 135.06497 1.00000 None parabolic box sum 454 538 1.68434 8.02175 17.28723 31AlaHb* 34ValH 31AlaCb 2.91367e+06 4.78475e+07 25.84159 55.38315 131.19279 1.00000 None parabolic box sum 455 539 1.67900 7.67149 17.32797 31AlaHb* 33SerH 31AlaCb 5.72151e+06 8.88809e+07 24.77646 52.95934 124.72483 1.00000 None parabolic box sum 456 540 1.67993 7.35551 17.30804 31AlaHb* 54Phe(Hd*/Hz) 31AlaCb 3.45068e+07 5.37378e+08 24.69897 53.75328 123.36832 1.00000 None parabolic box sum 457 541 1.68015 7.22117 17.30612 31AlaHb* 54PheHe* 31AlaCb 1.90988e+07 2.97697e+08 24.75142 58.19257 123.71409 1.00000 None parabolic box sum 458 542 1.68001 7.02177 17.30728 31AlaHb* 49PheHe* 31AlaCb 1.92674e+07 3.04354e+08 24.78778 60.52858 123.53395 1.00000 None parabolic box sum 459 543 1.67995 6.91498 17.29987 31AlaHb* 49PheHd* 31AlaCb 6.56278e+06 1.11344e+08 24.71745 145.58564 122.04535 1.00000 None parabolic box sum 460 544 1.68071 6.58824 17.30352 31AlaHb* 49PheHz 31AlaCb 4.00092e+06 6.29561e+07 25.59960 50.96157 126.84032 1.00000 None parabolic box sum 461 546 1.67994 8.90666 17.31071 31AlaHb* 31AlaH 31AlaCb 6.96130e+07 1.05611e+09 24.89328 46.96733 122.78829 1.00000 None parabolic box sum 462 547 1.67966 8.75830 17.30572 31AlaHb* 32AlaH 31AlaCb 3.63975e+07 5.54372e+08 24.80090 46.06788 123.08057 1.00000 None parabolic box sum 463 549 1.68044 8.30806 17.32049 31AlaHb* 30GlnH 31AlaCb 6.44485e+06 1.03879e+08 23.67139 73.95147 127.91846 1.00000 None parabolic box sum 464 550 1.68014 9.30384 17.35102 31AlaHb* 29AspH 31AlaCb 1.95127e+06 2.88072e+07 22.00663 50.58432 129.08214 1.00000 None parabolic box sum 465 554 0.90506 4.13555 17.76763 99IleHg2* 12AlaHa 99IleCg2 6.65072e+06 1.11889e+08 23.24104 74.32385 138.27492 1.00000 None parabolic box sum 466 555 0.91045 4.47941 17.62336 96IleHg2* 97ProHa 96IleCg2 4.29578e+06 5.40279e+07 21.27528 29.09320 138.82472 1.00000 None parabolic box sum 467 556 0.90892 4.33984 17.70193 99IleHg2* 99IleHa 99IleCg2 7.34840e+07 1.15958e+09 23.15283 51.69080 135.75200 1.00000 None parabolic box sum 468 558 0.91108 3.91829 17.59550 96IleHg2* 97ProHdb 96IleCg2 2.35158e+07 3.68131e+08 22.92514 63.85501 128.82885 1.00000 None parabolic box sum 469 559 0.91146 3.69289 17.60151 96IleHg2* 97ProHda 96IleCg2 3.35909e+07 5.24087e+08 23.17309 60.03426 125.29066 1.00000 None parabolic box sum 470 563 0.90787 7.81087 17.80804 99IleHg2* 99IleH 99IleCg2 1.73277e+07 2.57014e+08 21.98279 47.77589 131.91548 1.00000 None parabolic box sum 471 566 0.90676 7.16178 17.77855 99IleHg2* 19GlnHe2b 99IleCg2 4.51717e+06 6.76426e+07 23.14627 47.50594 130.23010 1.00000 None parabolic box sum 472 567 0.90177 6.81252 17.79225 99IleHg2* 19GlnHe2a 99IleCg2 6.08574e+06 8.45207e+07 21.68238 44.72996 125.53881 1.00000 None parabolic box sum 473 571 0.08957 8.01979 20.28179 35LeuHda* 34ValH 35LeuCda 1.98740e+06 2.73052e+07 20.86937 47.23389 122.16685 1.00000 None parabolic box sum 474 572 1.53617 8.01090 19.76253 69AlaHb* 69AlaH 69AlaCb 6.67714e+07 1.03161e+09 24.40810 47.49688 126.16992 1.00000 None parabolic box sum 475 573 1.53733 7.63295 19.73662 69AlaHb* 70ThrH 69AlaCb 1.33310e+07 1.99525e+08 23.03183 55.53395 117.98969 1.00000 None parabolic box sum 476 575 1.53515 6.90275 19.76399 69AlaHb* 30GlnHe2a 69AlaCb 7.01981e+06 1.07209e+08 24.25611 48.54096 125.96952 1.00000 None parabolic box sum 477 576 1.53446 8.90044 19.72928 69AlaHb* 67GlnH 69AlaCb 2.46169e+06 3.11409e+07 20.24531 46.73311 118.57274 1.00000 None parabolic box sum 478 577 1.53735 8.77698 19.69154 69AlaHb* 66LeuH 69AlaCb 4.95921e+06 5.03094e+07 21.03329 50.23314 83.54685 1.00000 None parabolic box sum 479 578 1.53615 8.64688 19.75792 69AlaHb* 71GlyH 69AlaCb 2.97742e+06 4.51635e+07 23.72324 47.53062 123.63702 1.00000 None parabolic box sum 480 579 1.53507 8.29373 19.74328 69AlaHb* 68ThrH 69AlaCb 6.28389e+06 9.89636e+07 23.67616 58.38637 123.14858 1.00000 None parabolic box sum 481 580 1.53632 4.32507 19.81419 69AlaHb* 69AlaHa 69AlaCb 8.58923e+07 1.35051e+09 22.53771 53.88547 137.83665 1.00000 None parabolic box sum 482 581 1.53705 4.13379 19.73103 69AlaHb* 66LeuHa 69AlaCb 3.41751e+07 5.33966e+08 22.97521 56.69290 121.64063 1.00000 None parabolic box sum 483 582 1.54248 4.51155 19.79066 69AlaHb* 70ThrHa 69AlaCb 4.56937e+06 8.57136e+07 34.41334 56.83345 134.32777 1.00000 None parabolic box sum 484 583 1.53416 3.90309 19.65537 69AlaHb* (68Thr/71Gly)Ha 69AlaCb 3.79596e+06 4.58075e+07 21.51072 62.03661 105.51866 1.00000 None parabolic box sum 485 584 1.53421 3.62150 19.75863 69AlaHb* 65HisHbb 69AlaCb 2.33251e+06 3.38195e+07 24.46532 47.09125 118.63591 1.00000 None parabolic box sum 486 585 1.53631 2.96782 19.73000 69AlaHb* 29AspHbb 69AlaCb 2.75289e+06 3.39664e+07 24.09339 43.21994 104.16365 1.00000 None parabolic box sum 487 586 1.53440 2.81907 19.75954 69AlaHb* 30GlnHgb 69AlaCb 5.70023e+06 9.08209e+07 25.68126 58.85132 125.21539 1.00000 None parabolic box sum 488 588 1.53516 2.03482 19.75604 69AlaHb* (30Gln/66Leu)Hb* 69AlaCb 9.34979e+06 1.48635e+08 24.30797 77.46374 122.74083 1.00000 None parabolic box sum 489 589 1.53695 1.97368 19.74330 69AlaHb* 30GlnHga 69AlaCb 9.66166e+06 1.36624e+08 25.00832 76.74506 121.28880 1.00000 None parabolic box sum 490 591 1.53634 0.77415 19.74676 69AlaHb* (26Leu/66Leu)Hda* 69AlaCb 6.45601e+07 1.00270e+09 24.43969 49.87240 124.01000 1.00000 None parabolic box sum 491 593 1.48266 4.34996 19.18853 38AlaHb* 38AlaHa 38AlaCb 1.13190e+08 1.54604e+09 18.91553 50.40594 131.88978 1.00000 None parabolic box sum 492 594 1.48224 4.75219 19.23630 38AlaHb* 37TyrHa 38AlaCb 2.89798e+06 4.35136e+07 22.22896 53.29340 131.28014 1.00000 None parabolic box sum 493 595 1.48281 8.02789 19.28312 38AlaHb* 39SerH 38AlaCb 6.48125e+06 9.61258e+07 22.90845 47.48852 143.76417 1.00000 None parabolic box sum 494 596 1.48336 8.84940 19.23164 38AlaHb* 38AlaH 38AlaCb 4.67836e+06 6.85841e+07 23.76020 49.60713 125.23353 1.00000 None parabolic box sum 495 597 1.46556 8.74868 18.16917 12AlaHb* 13GlyH 12AlaCb 6.40769e+06 1.07155e+08 83.79698 49.13043 134.36495 1.00000 None parabolic box sum 496 598 1.45758 7.33277 18.23833 12AlaHb* 12AlaH 12AlaCb 9.21101e+07 1.43851e+09 24.15717 47.87424 127.86738 1.00000 None parabolic box sum 497 600 1.45581 7.60940 18.24242 12AlaHb* 11LeuH 12AlaCb 7.71851e+06 1.31867e+08 25.37370 55.24061 133.18434 1.00000 None parabolic box sum 498 601 1.46285 7.75186 18.13931 12AlaHb* 10LysH 12AlaCb 2.88764e+06 4.77451e+07 22.53830 85.22608 162.00343 1.00000 None parabolic box sum 499 602 1.45289 4.31027 18.18629 12AlaHb* 9SerHa 12AlaCb 2.01750e+07 2.94682e+08 20.22862 60.49374 115.73215 1.00000 None parabolic box sum 500 603 1.45808 4.13231 18.22852 12AlaHb* 12AlaHa 12AlaCb 6.24142e+07 1.02998e+09 25.11919 53.93524 128.62029 1.00000 None parabolic box sum 501 604 1.58139 8.51585 17.88855 21AlaHb* 22ValH 21AlaCb 4.73258e+07 7.13664e+08 23.77570 50.80251 123.89484 1.00000 None parabolic box sum 502 606 1.58441 9.16115 17.92933 21AlaHb* 19GlnH 21AlaCb 2.00971e+06 3.13298e+07 24.60122 48.29265 120.89859 1.00000 None parabolic box sum 503 607 1.58136 7.70470 17.89468 21AlaHb* 21AlaH 21AlaCb 9.37053e+07 1.40661e+09 24.14405 48.32774 124.44585 1.00000 None parabolic box sum 504 608 1.58091 4.13304 17.88640 21AlaHb* 21AlaHa 21AlaCb 1.02663e+08 1.68158e+09 27.47476 71.10711 124.24848 1.00000 None parabolic box sum 505 609 1.58044 3.71378 17.88824 21AlaHb* 22ValHa 21AlaCb 9.18578e+06 1.38724e+08 24.37234 53.97346 123.70624 1.00000 None parabolic box sum 506 611 1.57996 0.87943 17.90571 21AlaHb* (22Val/14Leu)(Hga*/Hd*) 21AlaCb 1.15240e+07 1.85328e+08 68.68660 57.89255 130.93738 1.00000 None parabolic box sum 507 612 1.52202 8.75700 18.08145 32AlaHb* 32AlaH 32AlaCb 7.51406e+07 1.17179e+09 24.87242 48.08884 121.50491 1.00000 None parabolic box sum 508 613 1.52209 7.68232 18.06617 32AlaHb* 33SerH 32AlaCb 3.84404e+07 6.05720e+08 26.67904 49.66675 121.89633 1.00000 None parabolic box sum 509 614 1.42036 8.87551 21.66640 15ThrHg2* 15ThrH 15ThrCg2 4.20248e+07 6.22731e+08 22.62414 48.95325 127.71655 1.00000 None parabolic box sum 510 615 1.41764 9.09241 21.72300 15ThrHg2* 16AlaH 15ThrCg2 4.95520e+06 6.28582e+07 18.44764 57.69586 115.96610 1.00000 None parabolic box sum 511 616 1.41651 7.61063 21.66569 15ThrHg2* 18GluH 15ThrCg2 4.91749e+06 7.80092e+07 25.71583 48.43305 128.38454 1.00000 None parabolic box sum 512 617 1.41906 8.23506 21.60300 15ThrHg2* 17ThrH 15ThrCg2 2.16390e+06 3.88437e+07 28.41830 52.74722 115.85517 1.00000 None parabolic box sum 513 618 1.41874 7.37727 21.83770 15ThrHg2* 14LeuH 15ThrCg2 2.20451e+06 2.82285e+07 16.70182 64.91033 159.21090 1.00000 None parabolic box sum 514 619 1.42041 4.74907 21.66343 15ThrHg2* 15ThrHb 15ThrCg2 2.20355e+07 3.31767e+08 22.62592 52.24504 128.11281 1.00000 None parabolic box sum 515 620 1.42025 4.39418 21.65068 15ThrHg2* 15ThrHa 15ThrCg2 2.83987e+07 4.18321e+08 22.32909 50.43381 127.39284 1.00000 None parabolic box sum 516 621 1.41926 2.32405 21.66198 15ThrHg2* 18GluHga 15ThrCg2 5.55432e+06 8.92585e+07 23.25296 104.34476 125.54123 1.00000 None parabolic box sum 517 622 1.41961 2.39013 21.64114 15ThrHg2* 18GluHbb 15ThrCg2 8.56746e+06 1.32377e+08 22.81785 88.12131 128.98330 1.00000 None parabolic box sum 518 623 1.29719 0.77755 21.66962 70ThrHg2* 26LeuHda* 70ThrCg2 1.48237e+08 2.53042e+09 24.59168 63.16977 142.41188 1.00000 None parabolic box sum 519 624 1.29897 7.62482 21.64468 70ThrHg2* 70ThrH 70ThrCg2 2.82155e+07 4.51574e+08 23.40257 56.39258 136.96706 1.00000 None parabolic box sum 520 625 1.25788 8.01239 22.11405 68ThrHg2* 69AlaH 68ThrCg2 1.73612e+07 3.16923e+08 52.04916 50.00937 150.22486 1.00000 None parabolic box sum 521 626 1.25506 8.28495 22.03509 68ThrHg2* 68ThrH 68ThrCg2 1.87236e+07 3.02757e+08 26.10445 58.09601 128.30081 1.00000 None parabolic box sum 522 628 1.25627 3.94764 22.09567 68ThrHg2* 68ThrHa 68ThrCg2 5.83575e+07 9.10307e+08 27.62854 52.32866 129.81783 1.00000 None parabolic box sum 523 629 1.15298 3.44047 21.05824 27ValHgb* 27ValHa 27ValCgb 3.68880e+07 5.88284e+08 24.82116 50.97531 127.75947 1.00000 None parabolic box sum 524 630 1.13479 4.40901 21.34798 77ThrHg2* 77ThrHa 77ThrCg2 3.73157e+07 5.92563e+08 23.78047 51.38621 131.28044 1.00000 None parabolic box sum 525 631 1.13432 4.80085 21.35167 77ThrHg2* 77ThrHb 77ThrCg2 1.23879e+07 1.96526e+08 23.37873 51.41130 131.68304 1.00000 None parabolic box sum 526 632 1.15314 6.58929 21.05760 27ValHgb* 49PheHz 27ValCgb 2.33799e+07 3.73364e+08 24.82235 52.11624 127.99553 1.00000 None parabolic box sum 527 633 1.13529 7.11688 21.34861 77ThrHg2* 80PheHd* 77ThrCg2 1.03038e+07 1.71106e+08 23.47171 114.50661 130.60430 1.00000 None parabolic box sum 528 634 1.13477 7.87988 21.35871 77ThrHg2* 77ThrH 77ThrCg2 1.78107e+07 2.86879e+08 23.41092 68.15753 131.44215 1.00000 None parabolic box sum 529 635 0.99989 7.32614 21.33834 84ThrHg2* 84ThrH 84ThrCg2 1.33589e+07 2.09873e+08 24.58096 46.24317 151.21293 1.00000 None parabolic box sum 530 636 1.23358 8.44304 22.70911 23ThrHg2* 92LeuH 23ThrCg2 5.57496e+06 9.05505e+07 23.80729 133.77938 160.47946 1.00000 None parabolic box sum 531 637 1.23427 8.56563 22.69137 23ThrHg2* 24ArgH 23ThrCg2 1.08771e+07 1.81774e+08 25.77186 54.41084 127.29309 1.00000 None parabolic box sum 532 638 1.23222 7.79222 22.78069 23ThrHg2* 26LeuH 23ThrCg2 5.03075e+06 7.83307e+07 23.50509 144.79400 129.07035 1.00000 None parabolic box sum 533 640 1.23387 3.80331 22.68502 23ThrHg2* 23ThrHb 23ThrCg2 7.67677e+07 1.25231e+09 24.19651 59.25944 132.43807 1.00000 None parabolic box sum 534 641 0.23515 7.64437 26.80310 62LeuHda* 63ArgH 62LeuCda 6.41279e+06 1.00382e+08 24.36996 49.94417 125.08966 1.00000 None parabolic box sum 535 642 0.23780 7.35757 26.76161 62LeuHda* 54PheHz 62LeuCda 1.37605e+07 2.26783e+08 25.19786 58.13404 125.61135 1.00000 None parabolic box sum 536 643 0.23706 7.22150 26.77793 62LeuHda* 54PheHe* 62LeuCda 1.20399e+07 1.96390e+08 25.05422 59.40975 125.01681 1.00000 None parabolic box sum 537 644 0.23693 7.02312 26.76983 62LeuHda* 49PheHe* 62LeuCda 1.42916e+07 2.34529e+08 25.10905 61.42165 125.95471 1.00000 None parabolic box sum 538 645 0.23839 6.92655 26.78170 62LeuHda* 49PheHd* 62LeuCda 5.69785e+06 1.00670e+08 24.91295 134.19446 133.72387 1.00000 None parabolic box sum 539 646 0.23752 6.58757 26.76723 62LeuHda* 49PheHz 62LeuCda 5.85040e+06 9.24343e+07 25.13945 48.16987 126.36034 1.00000 None parabolic box sum 540 647 0.23726 8.90410 26.75347 62LeuHda* 31AlaH 62LeuCda 3.00888e+06 4.68299e+07 24.66977 44.78341 124.22551 1.00000 None parabolic box sum 541 648 0.23870 8.77333 26.79063 62LeuHda* 66LeuH 62LeuCda 1.97982e+06 3.14845e+07 22.06683 64.72897 125.33630 1.00000 None parabolic box sum 542 649 0.23646 8.49461 26.78415 62LeuHda* 62LeuH 62LeuCda 8.42443e+06 1.31376e+08 24.71387 48.78373 122.37511 1.00000 None parabolic box sum 543 650 0.23808 4.18370 26.76984 62LeuHda* 31AlaHa 62LeuCda 1.27154e+07 2.13227e+08 25.52748 122.81224 128.70462 1.00000 None parabolic box sum 544 651 0.23710 4.06672 26.79701 62LeuHda* 62LeuHa 62LeuCda 1.07486e+07 1.76972e+08 24.70732 130.63013 121.46744 1.00000 None parabolic box sum 545 652 0.23663 3.86071 26.76759 62LeuHda* 59AlaHa 62LeuCda 6.47307e+06 1.03042e+08 24.77407 50.87895 125.82293 1.00000 None parabolic box sum 546 653 0.23920 3.63453 26.82571 62LeuHda* 63ArgHa 62LeuCda 1.95711e+06 2.89785e+07 22.14849 48.57161 126.12972 1.00000 None parabolic box sum 547 654 0.23682 2.26510 26.79468 62LeuHda* 34ValHb 62LeuCda 3.13986e+06 5.18393e+07 24.28591 83.59820 123.29759 1.00000 None parabolic box sum 548 655 0.23729 2.03782 26.78846 62LeuHda* 63ArgHba 62LeuCda 5.16254e+06 8.79789e+07 24.54221 106.53624 124.99566 1.00000 None parabolic box sum 549 656 0.23679 1.81000 26.79587 62LeuHda* 62LeuHbb 62LeuCda 3.02230e+07 4.94132e+08 24.96779 65.47393 122.97720 1.00000 None parabolic box sum 550 657 0.23748 1.68493 26.76620 62LeuHda* 31AlaHb* 62LeuCda 2.40263e+07 3.89981e+08 25.49887 136.63997 126.13485 1.00000 None parabolic box sum 551 658 0.23738 1.48998 26.79393 62LeuHda* 62LeuHba 62LeuCda 2.62833e+07 4.30224e+08 24.71149 65.37598 122.67736 1.00000 None parabolic box sum 552 659 0.23723 1.28940 26.81635 62LeuHda* 62LeuHg 62LeuCda 6.49849e+07 1.05047e+09 24.50585 62.13734 120.53286 1.00000 None parabolic box sum 553 660 0.23711 1.15963 26.77369 62LeuHda* 27ValHgb* 62LeuCda 8.98226e+06 1.56673e+08 25.08998 272.88814 125.94171 1.00000 None parabolic box sum 554 661 0.23891 1.03282 26.76629 62LeuHda* 34ValHgb* 62LeuCda 6.76928e+06 9.14185e+07 24.15478 33.22292 128.60458 1.00000 None parabolic box sum 555 662 0.23727 0.89071 26.78305 62LeuHda* 62LeuHdb* 62LeuCda 7.40094e+07 1.20341e+09 25.13409 55.55575 125.28491 1.00000 None parabolic box sum 556 663 0.23692 0.75448 26.79868 62LeuHda* 66LeuHda* 62LeuCda 2.59619e+07 4.14151e+08 25.06733 148.52944 123.62433 1.00000 None parabolic box sum 557 664 3.79248 4.42128 50.48379 85ProHdb 84ThrHa 85ProCd 1.23008e+07 2.36540e+08 36.98647 77.09465 130.13973 1.00000 None parabolic box sum 558 665 3.79818 8.56455 50.53713 85ProHdb 86HisH 85ProCd 3.50628e+06 6.47270e+07 34.74712 49.33628 160.09771 1.00000 None parabolic box sum 559 666 3.79188 7.33128 50.51178 85ProHdb 84ThrH 85ProCd 1.57161e+06 2.70226e+07 32.43148 46.71400 137.84451 1.00000 None parabolic box sum 560 667 3.79038 7.02976 50.50109 85ProHdb 49PheHe* 85ProCd 1.58780e+06 2.85970e+07 40.38155 52.60239 129.67940 1.00000 None parabolic box sum 561 668 3.79343 2.50237 50.49188 85ProHdb 85ProHda 85ProCd 2.34175e+07 4.37722e+08 37.94432 57.66919 132.19808 1.00000 None parabolic box sum 562 669 3.79176 2.00359 50.49312 85ProHdb 85ProHba 85ProCd 1.26636e+07 2.49699e+08 40.62653 79.96618 131.81362 1.00000 None parabolic box sum 563 670 3.79261 1.14377 50.53967 85ProHdb 27ValHgb* 85ProCd 1.71512e+06 3.20754e+07 46.08214 57.45936 139.18168 1.00000 None parabolic box sum 564 672 3.79352 1.00165 50.50272 85ProHdb 84ThrHg2* 85ProCd 5.29417e+06 9.74201e+07 40.68017 51.66811 132.00404 1.00000 None parabolic box sum 565 673 3.79363 0.77146 50.48680 85ProHdb 52LeuHda* 85ProCd 4.78410e+06 8.91784e+07 37.54735 53.94320 143.94280 1.00000 None parabolic box sum 566 674 4.18601 7.35537 55.81019 31AlaHa 54PheHz 31AlaCa 2.52379e+07 4.46480e+08 30.64632 51.33943 149.12103 1.00000 None parabolic box sum 567 675 4.09383 8.02856 55.90572 81AspHa 81AspH 81AspCa 1.68750e+07 2.97417e+08 33.43046 49.43741 133.19250 1.00000 None parabolic box sum 568 677 4.09306 6.70305 55.91607 81AspHa 82HisHd2 81AspCa 2.16486e+06 3.71087e+07 30.37632 49.51864 137.55464 1.00000 None parabolic box sum 569 678 4.09168 2.36001 55.91391 81AspHa 81AspHbb 81AspCa 1.84333e+07 3.22822e+08 28.68652 58.83221 135.52712 1.00000 None parabolic box sum 570 679 4.09233 2.07006 55.91252 81AspHa 81AspHba 81AspCa 3.06645e+07 5.34850e+08 28.97203 56.67856 134.19841 1.00000 None parabolic box sum 571 680 4.15828 7.20072 57.19043 60LeuHa 60LeuH 60LeuCa 1.92023e+07 3.45353e+08 32.89819 47.86368 142.58235 1.00000 None parabolic box sum 572 681 4.15370 7.65518 57.27106 60LeuHa (63Arg/61Glu)H 60LeuCa 1.58567e+07 3.08251e+08 34.19280 59.64695 156.58128 1.00000 None parabolic box sum 573 682 4.13338 8.29900 57.70256 30GlnHa 30GlnH 30GlnCa 2.01895e+07 3.63455e+08 43.60080 49.82074 135.87653 1.00000 None parabolic box sum 574 683 4.13053 8.90129 57.69721 30GlnHa 31AlaH 30GlnCa 1.11491e+07 1.91037e+08 30.64752 47.56905 136.17334 1.00000 None parabolic box sum 575 684 4.13086 8.77536 57.65554 66LeuHa 66LeuH 66LeuCa 1.61512e+07 2.88191e+08 32.38618 51.95498 143.29779 1.00000 None parabolic box sum 576 686 4.13372 9.31147 57.67406 30GlnHa 29AspH 30GlnCa 1.77293e+06 2.98001e+07 30.07352 43.44296 150.05802 1.00000 None parabolic box sum 577 690 0.77142 8.42858 23.52812 93LeuHda* 92LeuH 93LeuCda 1.78695e+07 3.06235e+08 26.61347 64.02104 132.43687 1.00000 None parabolic box sum 578 692 0.76954 6.61620 23.54713 28LeuHda* 49PheHz 28LeuCda 3.34879e+06 5.28983e+07 23.53132 50.63588 126.00216 1.00000 None parabolic box sum 579 698 2.30299 4.47398 31.89145 97ProHbb 97ProHa 97ProCb 2.72319e+07 4.72418e+08 30.69520 49.29308 131.75573 1.00000 None parabolic box sum 580 700 2.30184 3.93043 31.87320 97ProHbb 97ProHdb 97ProCb 1.05523e+07 1.90439e+08 30.78878 63.90398 133.00722 1.00000 None parabolic box sum 581 703 4.47155 2.30725 63.25360 97ProHa 97ProHbb 97ProCa 4.65917e+07 7.72222e+08 26.03531 50.46407 134.65753 1.00000 None parabolic box sum 582 705 4.47234 3.67781 63.21310 97ProHa 97ProHda 97ProCa 4.15510e+06 6.24156e+07 22.41969 45.44924 140.09691 1.00000 None parabolic box sum 583 706 4.47297 3.95542 63.23432 97ProHa 97ProHdb 97ProCa 1.10098e+07 1.64229e+08 23.51046 55.09149 115.12734 1.00000 None parabolic box sum 584 707 4.47135 8.52246 63.25727 97ProHa 98GlyH 97ProCa 2.27427e+07 3.71659e+08 25.92087 49.17274 133.79943 1.00000 None parabolic box sum 585 708 4.47034 7.81060 63.27238 97ProHa 99IleH 97ProCa 4.34690e+06 6.46496e+07 23.46873 41.47400 137.15476 1.00000 None parabolic box sum 586 710 4.39944 8.21274 64.47600 48SerHbb 49PheH 48SerCb 1.13314e+07 1.87722e+08 29.69325 50.11887 129.21423 1.00000 None parabolic box sum 587 711 4.39902 8.08222 64.45396 48SerHbb 51AspH 48SerCb 3.65755e+06 6.06348e+07 30.73096 45.86452 128.98874 1.00000 None parabolic box sum 588 712 4.39998 4.03936 64.47063 48SerHbb 48SerHba 48SerCb 5.26676e+07 8.90525e+08 28.85818 51.59644 133.96779 1.00000 None parabolic box sum 589 713 4.39990 4.63013 64.48008 48SerHbb 48SerHa 48SerCb 1.25484e+07 2.15007e+08 30.53606 51.36272 131.72052 1.00000 None parabolic box sum 590 714 4.40050 1.99137 64.50873 48SerHbb 50LysHbb 48SerCb 3.40443e+06 5.14367e+07 25.64013 131.20467 111.46492 1.00000 None parabolic box sum 591 715 4.40458 1.87530 64.49779 48SerHbb 50LysHba 48SerCb 3.25950e+06 5.87717e+07 30.39658 125.91511 137.63686 1.00000 None parabolic box sum 592 717 4.40054 1.00240 64.46281 48SerHbb (52Leu/84Thr)(Hdb*/Hg2*) 48SerCb 9.46172e+06 1.61601e+08 29.04177 48.90806 133.55460 1.00000 None parabolic box sum 593 718 4.03665 4.40181 64.43454 48SerHba 48SerHbb 48SerCb 5.41363e+07 9.57471e+08 28.85580 53.00155 152.86143 1.00000 None parabolic box sum 594 719 4.03618 4.63157 64.47628 48SerHba 48SerHa 48SerCb 1.10460e+07 1.87468e+08 29.26767 56.69369 133.29739 1.00000 None parabolic box sum 595 721 4.04016 8.08041 64.41544 48SerHba 51AspH 48SerCb 3.60160e+06 5.95532e+07 30.82037 55.49991 127.15043 1.00000 None parabolic box sum 596 724 3.71049 8.51647 66.04623 22ValHa 22ValH 22ValCa 2.38436e+07 4.02043e+08 27.91107 51.58330 142.54502 1.00000 None parabolic box sum 597 725 3.71079 8.02827 65.92537 34ValHa 34ValH 34ValCa 3.09042e+07 5.42653e+08 27.76921 49.70936 188.09769 1.00000 None parabolic box sum 598 726 3.71021 8.18390 65.72898 34ValHa 65HisHe1 34ValCa 2.00948e+06 3.19363e+07 26.49069 41.14313 145.43050 1.00000 None parabolic box sum 599 727 3.71066 7.78333 65.98376 34ValHa 36GlyH 34ValCa 6.20055e+06 1.06778e+08 27.29237 136.64006 154.43301 1.00000 None parabolic box sum 600 728 3.71044 7.66377 65.93040 34ValHa 35LeuH 34ValCa 1.78727e+07 3.13527e+08 28.03326 56.41637 153.36589 1.00000 None parabolic box sum 601 729 3.71061 7.20318 65.72794 34ValHa 54PheHe* 34ValCa 2.07662e+06 3.53270e+07 28.67103 52.10688 136.83890 1.00000 None parabolic box sum 602 730 3.71238 7.89509 66.57392 8ThrHa 9SerH 8ThrCa 2.89207e+06 4.22670e+07 23.50211 48.70370 151.80021 1.00000 None parabolic box sum 603 731 3.71384 7.33085 66.56672 8ThrHa 12AlaH 8ThrCa 2.39618e+06 3.83032e+07 23.77093 48.58217 179.30313 1.00000 None parabolic box sum 604 732 3.71392 4.27627 66.47011 8ThrHa 8ThrHb 8ThrCa 1.20256e+07 2.25297e+08 27.90272 67.20951 200.89637 1.00000 None parabolic box sum 605 734 3.71342 0.74979 66.57420 8ThrHa 11LeuHda* 8ThrCa 2.31858e+07 3.91398e+08 26.98720 54.25058 146.06206 1.00000 None parabolic box sum 606 736 3.71356 1.29968 66.60218 8ThrHa 8ThrHg2* 8ThrCa 3.75428e+07 6.26459e+08 27.50874 48.35661 144.81103 1.00000 None parabolic box sum 607 737 3.71282 1.79451 66.47270 8ThrHa 11LeuHbb 8ThrCa 1.04797e+07 1.91519e+08 26.85905 218.98476 164.20490 1.00000 None parabolic box sum 608 738 3.71282 1.53226 66.34511 8ThrHa 7LeuHba 8ThrCa 9.80999e+06 1.87508e+08 27.57847 128.28218 173.34086 1.00000 None parabolic box sum 609 739 4.09058 6.58973 66.15341 85ProHa 49PheHz 85ProCa 2.43046e+07 4.30467e+08 32.16803 52.12380 135.50566 1.00000 None parabolic box sum 610 740 4.09001 7.02185 66.15780 85ProHa 49PheHe* 85ProCa 9.55370e+06 1.70124e+08 30.66361 57.59991 137.73313 1.00000 None parabolic box sum 611 741 4.09182 8.55842 66.13805 85ProHa 89AlaH 85ProCa 1.21102e+07 2.09567e+08 31.22151 49.05389 133.64845 1.00000 None parabolic box sum 612 742 4.09028 1.15374 66.14928 85ProHa 27ValHga* 85ProCa 3.07883e+07 5.40985e+08 31.98802 53.17674 134.94619 1.00000 None parabolic box sum 613 743 4.09156 1.31374 66.11096 85ProHa 88ValHgb* 85ProCa 1.73683e+07 3.07247e+08 31.39615 54.43453 134.36419 1.00000 None parabolic box sum 614 744 4.09018 2.03481 66.13230 85ProHa 85ProHba 85ProCa 2.30618e+07 4.22345e+08 31.10588 71.14891 138.48181 1.00000 None parabolic box sum 615 745 4.08969 2.32503 66.14246 85ProHa 88ValHb 85ProCa 1.53916e+07 2.77021e+08 31.60357 59.06912 133.00329 1.00000 None parabolic box sum 616 746 4.08646 2.49373 66.15611 85ProHa 85ProHda 85ProCa 2.53972e+06 4.56506e+07 34.56116 57.23957 140.80630 1.00000 None parabolic box sum 617 747 4.09083 0.90778 66.14496 85ProHa 88ValHga* 85ProCa 7.25168e+06 1.25721e+08 30.83825 51.86162 130.60399 1.00000 None parabolic box sum 618 748 4.09021 0.77505 66.12254 85ProHa 28LeuHda* 85ProCa 5.40669e+06 9.08957e+07 31.16667 54.17811 124.98372 1.00000 None parabolic box sum 619 749 3.94531 8.28536 66.16838 68ThrHa 68ThrH 68ThrCa 2.15890e+07 3.70290e+08 29.51920 50.00071 132.52180 1.00000 None parabolic box sum 620 750 3.94496 8.64897 66.15561 68ThrHa 71GlyH 68ThrCa 2.81982e+06 4.69772e+07 27.32873 54.26651 135.43916 1.00000 None parabolic box sum 621 751 3.94071 8.89344 66.21696 68ThrHa 67GlnH 68ThrCa 1.87837e+06 2.84918e+07 27.40562 43.97236 119.93213 1.00000 None parabolic box sum 622 752 3.94414 4.27368 66.15236 68ThrHa 68ThrHb 68ThrCa 2.62881e+07 4.27884e+08 26.82030 46.52308 133.36902 1.00000 None parabolic box sum 623 753 3.94691 1.27018 66.16070 68ThrHa 68ThrHg2* 68ThrCa 5.94469e+07 1.10230e+09 34.39248 54.63799 135.86957 1.00000 None parabolic box sum 624 754 3.97226 3.18609 66.07153 17ThrHa 20ArgHda 17ThrCa 5.67540e+06 9.56610e+07 27.32635 53.39652 136.54133 1.00000 None parabolic box sum 625 755 3.97250 4.11037 66.05885 17ThrHa 17ThrHb 17ThrCa 3.30141e+07 5.27201e+08 28.22936 37.42471 146.55035 1.00000 None parabolic box sum 626 756 3.96926 7.61302 66.08455 17ThrHa 18GluH 17ThrCa 6.01010e+06 1.08893e+08 32.12690 99.33908 144.79274 1.00000 None parabolic box sum 627 757 3.96574 7.99968 66.12961 17ThrHa 20ArgH 17ThrCa 1.11185e+07 2.03410e+08 35.05647 48.45515 136.80188 1.00000 None parabolic box sum 628 758 3.97015 8.25249 66.12961 17ThrHa 17ThrH 17ThrCa 1.22149e+07 2.52896e+08 42.00995 60.59597 138.78603 1.00000 None None box sum 629 759 3.97328 7.69823 66.10429 17ThrHa 21AlaH 17ThrCa 3.61684e+06 6.34902e+07 25.91729 120.91949 145.48641 1.00000 None parabolic box sum 630 760 3.97192 9.16270 66.02756 17ThrHa 19GlnH 17ThrCa 2.45884e+06 3.93648e+07 27.19343 43.61372 156.32255 1.00000 None parabolic box sum 631 761 3.96985 1.53509 66.07215 17ThrHa (20Arg/16Ala)(Hga/Hb*) 17ThrCa 9.31127e+06 1.62729e+08 33.18369 49.30741 139.05655 1.00000 None parabolic box sum 632 762 3.96868 1.29651 66.12961 17ThrHa 17ThrHg2* 17ThrCa 5.01306e+07 9.52515e+08 38.80560 52.31631 138.04294 1.00000 None None box sum 633 763 3.94957 8.00352 66.12961 68ThrHa 69AlaH 68ThrCa 1.11185e+07 2.03410e+08 35.05647 48.45515 136.80188 1.00000 None None box sum 634 764 4.09068 8.57045 67.60954 23ThrHa 24ArgH 23ThrCa 8.45005e+06 1.49684e+08 31.42536 51.33355 144.96079 1.00000 None parabolic box sum 635 765 4.09044 8.04972 67.59653 23ThrHa 23ThrH 23ThrCa 1.54345e+07 2.74214e+08 32.33850 50.86343 138.44750 1.00000 None parabolic box sum 636 768 4.08987 3.80537 67.60415 23ThrHa 23ThrHb 23ThrCa 5.28756e+07 9.21552e+08 30.24757 59.41273 126.71171 1.00000 None parabolic box sum 637 769 4.09399 2.07688 67.66060 23ThrHa 22ValHb 23ThrCa 5.38864e+06 9.69006e+07 28.23651 63.46322 138.45431 1.00000 None parabolic box sum 638 770 4.09704 1.94684 67.72653 23ThrHa 25LysHbb 23ThrCa 2.59879e+06 4.89238e+07 31.25668 285.13636 261.03328 1.00000 None parabolic box sum 639 772 4.08885 1.23456 67.59371 23ThrHa 23ThrHg2* 23ThrCa 2.93128e+07 5.19353e+08 31.31807 46.54219 135.12890 1.00000 None parabolic box sum 640 773 4.08972 1.39874 67.56440 23ThrHa 89AlaHb* 23ThrCa 7.05861e+06 1.23519e+08 32.17340 47.18522 126.58113 1.00000 None parabolic box sum 641 774 4.09096 0.79549 67.59152 23ThrHa 26LeuHda* 23ThrCa 1.49306e+07 2.82595e+08 31.23879 78.91703 142.52764 1.00000 None parabolic box sum 642 775 3.80285 4.11087 67.62799 23ThrHb 23ThrHa 23ThrCb 4.21639e+07 7.62432e+08 27.56834 81.26737 131.33530 1.00000 None parabolic box sum 643 776 3.80196 7.79590 67.65448 23ThrHb 26LeuH 23ThrCb 6.97420e+06 1.25139e+08 29.74272 49.98678 144.01730 1.00000 None parabolic box sum 644 777 3.80388 7.66965 67.63154 23ThrHb 25LysH 23ThrCb 2.58335e+06 4.28448e+07 26.58904 134.42490 148.43854 1.00000 None parabolic box sum 645 778 3.80275 8.04955 67.64311 23ThrHb 23ThrH 23ThrCb 1.55956e+07 2.67254e+08 28.53036 52.68720 134.72977 1.00000 None parabolic box sum 646 780 3.80256 2.07274 67.64013 23ThrHb 26LeuHbb 23ThrCb 1.17694e+07 2.13385e+08 29.27184 62.27989 144.20425 1.00000 None parabolic box sum 647 781 3.80212 1.94646 67.64484 23ThrHb 92LeuHbb 23ThrCb 2.75009e+06 5.07475e+07 30.91812 368.53389 128.94204 1.00000 None parabolic box sum 648 782 3.80304 1.74015 67.65545 23ThrHb 26LeuHba 23ThrCb 8.07958e+06 1.45778e+08 27.53198 78.08766 143.48594 1.00000 None parabolic box sum 649 783 3.80074 1.40023 67.63646 23ThrHb 89AlaHb* 23ThrCb 5.35385e+06 9.28321e+07 29.08587 53.36188 131.47222 1.00000 None parabolic box sum 650 784 3.80267 1.23742 67.63823 23ThrHb 23ThrHg2* 23ThrCb 3.44170e+07 5.91059e+08 28.62096 49.82861 136.44582 1.00000 None parabolic box sum 651 785 3.80351 1.09056 67.65247 23ThrHb 22ValHgb* 23ThrCb 5.28484e+06 8.35812e+07 30.49195 41.47241 129.86604 1.00000 None parabolic box sum 652 786 3.80330 0.89296 67.63681 23ThrHb 7LeuHdb* 23ThrCb 1.06662e+07 1.99651e+08 30.03240 140.45195 141.70883 1.00000 None parabolic box sum 653 787 3.80311 0.78453 67.63737 23ThrHb 26LeuHda* 23ThrCb 1.56519e+07 2.85381e+08 27.95637 122.83693 135.78192 1.00000 None parabolic box sum 654 788 4.06154 8.56088 68.72241 45ThrHb 86HisH 45ThrCb 6.49670e+06 1.09739e+08 27.24230 53.97047 133.71631 1.00000 None parabolic box sum 655 789 4.06454 8.12905 68.66979 45ThrHb 45ThrH 45ThrCb 5.42754e+06 8.86906e+07 28.06723 50.84382 135.32748 1.00000 None parabolic box sum 656 790 4.06262 2.88603 68.68692 45ThrHb 86HisHbb 45ThrCb 3.61491e+06 6.40902e+07 28.56433 61.39517 141.21676 1.00000 None parabolic box sum 657 791 4.06169 2.70733 68.70893 45ThrHb 86HisHba 45ThrCb 6.28266e+06 1.10522e+08 30.46274 59.37570 128.54821 1.00000 None parabolic box sum 658 792 4.06184 2.04011 68.68992 45ThrHb 85ProHba 45ThrCb 7.60228e+06 1.34038e+08 29.08647 75.52430 133.44806 1.00000 None parabolic box sum 659 793 4.06333 1.10276 68.69445 45ThrHb 45ThrHg2* 45ThrCb 4.74531e+07 8.09178e+08 30.30121 47.12868 132.23088 1.00000 None parabolic box sum 660 795 4.05951 0.78130 68.70114 45ThrHb 28LeuHda* 45ThrCb 4.47800e+06 7.04567e+07 26.81911 118.41257 277.73981 1.00000 None parabolic box sum 661 796 4.10068 7.60698 68.53753 17ThrHb 18GluH 17ThrCb 1.64019e+07 2.72701e+08 27.61424 50.19372 130.48037 1.00000 None parabolic box sum 662 797 4.09992 8.23974 68.55586 17ThrHb 17ThrH 17ThrCb 1.35243e+07 2.24107e+08 28.61321 49.86404 128.08485 1.00000 None parabolic box sum 663 798 4.13940 7.39698 68.61635 58ThrHb 54PheHd* 58ThrCb 1.22239e+07 2.14795e+08 29.51026 60.66375 131.79427 1.00000 None parabolic box sum 664 799 4.13833 7.22293 68.59800 58ThrHb 54PheHe* 58ThrCb 9.57541e+06 1.68638e+08 29.58894 62.32010 131.71387 1.00000 None parabolic box sum 665 801 4.13811 8.99623 68.63723 58ThrHb 58ThrH 58ThrCb 5.01218e+06 8.89336e+07 30.62367 92.84429 136.59514 1.00000 None parabolic box sum 666 802 4.50420 8.37337 68.94566 40ThrHb 40ThrH 40ThrCb 4.08174e+06 7.13002e+07 27.78292 53.06127 149.09020 1.00000 None parabolic box sum 667 804 4.50284 4.24115 68.88452 40ThrHb 40ThrHa 40ThrCb 3.42284e+07 5.81113e+08 27.59576 51.49969 131.95190 1.00000 None parabolic box sum 668 805 4.50314 0.78651 68.91883 40ThrHb 28LeuHda* 40ThrCb 7.94652e+06 1.38429e+08 27.60172 126.35667 136.68143 1.00000 None parabolic box sum 669 807 4.50296 1.29238 68.90293 40ThrHb 40ThrHg2* 40ThrCb 6.03247e+07 1.02352e+09 28.91958 46.21450 136.44718 1.00000 None parabolic box sum 670 810 4.50338 1.98205 68.89858 40ThrHb 28LeuHbb 40ThrCb 4.19720e+06 7.67687e+07 30.35247 64.48052 133.89630 1.00000 None parabolic box sum 671 811 4.40888 1.24804 70.18069 5ThrHb 5ThrHg2* 5ThrCb 7.57567e+07 1.24294e+09 27.97008 46.31444 132.36145 1.00000 None parabolic box sum 672 814 4.40798 8.24411 70.21205 5ThrHb 6LeuH 5ThrCb 1.53701e+07 2.69778e+08 28.39029 61.63616 138.46957 1.00000 None parabolic box sum 673 816 4.27784 1.25416 69.48614 3ThrHb 3ThrHg2* 3ThrCb 7.30397e+07 1.13331e+09 24.14107 45.33775 301.81305 1.00000 None parabolic box sum 674 817 4.27798 0.92661 69.50808 3ThrHb 6LeuHdb* 3ThrCb 3.59892e+06 5.46049e+07 25.86424 47.39744 126.12548 1.00000 None parabolic box sum 675 818 4.26628 1.27893 68.23906 68ThrHb 68ThrHg2* 68ThrCb 9.40796e+07 1.69418e+09 32.26876 53.21456 143.85802 1.00000 None parabolic box sum 676 819 4.26793 0.75350 68.16896 8ThrHb 11LeuHda* 8ThrCb 3.78262e+06 7.00013e+07 30.53427 157.87785 167.01043 1.00000 None parabolic box sum 677 821 4.26680 1.54120 68.29447 68ThrHb 69AlaHb* 68ThrCb 6.98931e+06 1.17334e+08 29.85239 51.44394 132.39969 1.00000 None parabolic box sum 678 822 4.26587 1.42618 68.03079 8ThrHb 4AlaHb* 8ThrCb 6.30388e+06 8.83424e+07 28.68652 32.88886 131.27878 1.00000 None parabolic box sum 679 823 4.26571 3.71458 68.03360 8ThrHb 8ThrHa 8ThrCb 1.35612e+07 2.54808e+08 28.69070 51.82976 200.02406 1.00000 None parabolic box sum 680 824 4.26598 8.01646 68.24679 68ThrHb 69AlaH 68ThrCb 3.74219e+07 6.42720e+08 29.89709 48.56674 139.99747 1.00000 None parabolic box sum 681 825 4.26445 7.89210 68.02298 8ThrHb 9SerH 8ThrCb 8.41278e+06 1.36123e+08 28.44274 47.32368 126.54924 1.00000 None parabolic box sum 682 831 4.24339 8.36686 62.25733 40ThrHa 40ThrH 40ThrCa 1.07746e+07 1.91737e+08 31.37589 49.04702 141.96243 1.00000 None parabolic box sum 683 833 4.23589 7.92867 62.12085 40ThrHa 43LeuH 40ThrCa 3.28733e+06 5.23432e+07 23.62967 50.36344 137.72632 1.00000 None parabolic box sum 684 834 4.23673 4.50227 62.15257 40ThrHa 40ThrHb 40ThrCa 3.03961e+07 5.04668e+08 26.21174 50.45730 137.44251 1.00000 None parabolic box sum 685 836 4.23647 1.52671 62.14198 40ThrHa 32AlaHb* 40ThrCa 1.70496e+07 2.72418e+08 25.88630 52.34180 134.59194 1.00000 None parabolic box sum 686 837 4.23628 1.29169 62.15370 40ThrHa 40ThrHg2* 40ThrCa 4.92918e+07 7.87847e+08 26.47460 46.38054 135.79099 1.00000 None parabolic box sum 687 838 4.23674 0.90296 62.14389 40ThrHa 43LeuHdb* 40ThrCa 2.14835e+07 3.52563e+08 26.13723 51.91059 136.36044 1.00000 None parabolic box sum 688 840 4.26330 7.24644 62.38447 49PheHa 54PheHe* 49PheCa 4.75458e+06 9.56824e+07 42.04869 78.17486 143.42473 1.00000 None parabolic box sum 689 842 4.29100 2.33372 62.31050 49PheHa (52Leu/47Glu)(Hbb/Hga) 49PheCa 1.33306e+07 2.46323e+08 31.81696 58.47944 140.31091 1.00000 None parabolic box sum 690 843 4.29151 6.91528 62.31443 49PheHa 49PheHd* 49PheCa 1.80417e+07 3.35074e+08 32.61805 59.92417 141.69342 1.00000 None parabolic box sum 691 844 4.29107 7.40080 62.33345 49PheHa 54PheHd* 49PheCa 8.32319e+06 1.54845e+08 33.12469 55.33975 144.24203 1.00000 None parabolic box sum 692 845 4.29172 8.21559 62.36006 49PheHa 49PheH 49PheCa 1.29916e+07 2.29392e+08 32.16147 52.96422 144.78337 1.00000 None parabolic box sum 693 846 4.29004 8.82194 62.34050 49PheHa 50LysH 49PheCa 2.18023e+06 3.64463e+07 28.40757 41.92014 131.73503 1.00000 None parabolic box sum 694 847 4.29104 2.69958 62.31681 49PheHa 49PheHbb 49PheCa 1.53222e+07 2.95529e+08 33.03707 81.22636 142.96047 1.00000 None parabolic box sum 695 848 4.28980 1.83531 62.31054 49PheHa 52LeuHba 49PheCa 1.20858e+07 2.24232e+08 35.72226 57.51788 140.00533 1.00000 None parabolic box sum 696 849 4.29114 0.76151 62.30037 49PheHa 52LeuHda* 49PheCa 2.01770e+07 3.62543e+08 32.69911 51.83653 141.21465 1.00000 None parabolic box sum 697 850 4.28836 1.00577 62.35033 49PheHa 52LeuHdb* 49PheCa 4.21296e+06 7.81081e+07 33.97703 53.10149 134.06995 1.00000 None parabolic box sum 698 851 4.28487 0.00938 62.33110 49PheHa 79IleHd1* 49PheCa 2.34949e+06 4.29138e+07 32.48632 56.58977 139.60967 1.00000 None parabolic box sum 699 852 4.29389 -0.14618 62.27914 49PheHa 79IleHg2* 49PheCa 2.14634e+06 3.57458e+07 30.77447 43.60735 136.13133 1.00000 None parabolic box sum 700 853 2.33103 4.32281 43.20182 52LeuHbb 52LeuHa 52LeuCb 1.41261e+07 2.74286e+08 38.77103 67.12470 134.44165 1.00000 None parabolic box sum 701 854 2.71507 4.29582 37.67828 49PheHbb 49PheHa 49PheCb 8.04877e+06 1.64723e+08 77.82936 53.67325 144.93828 1.00000 None parabolic box sum 702 855 2.67182 4.29847 37.68872 49PheHba 49PheHa 49PheCb 8.45316e+06 1.71320e+08 76.27726 54.24461 136.81684 1.00000 None parabolic box sum 703 856 2.71715 6.91442 37.71634 49PheHbb 49PheHd* 49PheCb 1.32381e+07 2.68794e+08 75.47081 59.47863 136.63156 1.00000 None parabolic box sum 704 858 2.71542 8.20512 37.69010 49PheHbb 49PheH 49PheCb 6.38454e+06 1.26136e+08 76.67422 53.20800 137.60588 1.00000 None parabolic box sum 705 859 2.71712 8.82070 37.71057 49PheHbb 50LysH 49PheCb 3.41693e+06 6.22602e+07 71.61379 47.06348 128.38287 1.00000 None parabolic box sum 706 861 2.71644 0.00987 37.72408 49PheHbb 79IleHd1* 49PheCb 6.77028e+06 1.32649e+08 76.64502 46.86271 135.51125 1.00000 None parabolic box sum 707 862 2.71640 -0.14179 37.69414 49PheHbb 79IleHg2* 49PheCb 4.58537e+06 8.86167e+07 73.08245 45.44327 137.09915 1.00000 None parabolic box sum 708 863 2.67423 0.00917 37.67751 49PheHba 79IleHd1* 49PheCb 6.68214e+06 1.31919e+08 77.09503 48.46132 139.42243 1.00000 None parabolic box sum 709 864 2.67043 -0.14304 37.70854 49PheHba 79IleHg2* 49PheCb 4.54263e+06 8.89967e+07 73.40610 47.19876 136.41121 1.00000 None parabolic box sum 710 867 2.67560 6.91534 37.69952 49PheHba 49PheHd* 49PheCb 1.23426e+07 2.55550e+08 77.95274 58.69704 138.49420 1.00000 None parabolic box sum 711 869 2.67707 8.20895 37.73066 49PheHba 49PheH 49PheCb 6.03274e+06 1.21721e+08 78.87423 55.40813 135.65754 1.00000 None parabolic box sum 712 870 2.67086 8.82066 37.69941 49PheHba 50LysH 49PheCb 3.05332e+06 5.99454e+07 75.82724 48.26384 126.85165 1.00000 None parabolic box sum 713 871 1.99274 8.90430 33.67917 30GlnHga 31AlaH 30GlnCg 2.96494e+06 5.16152e+07 32.62103 46.81543 149.92382 1.00000 None parabolic box sum 714 872 1.99028 8.29738 33.68254 30GlnHga 30GlnH 30GlnCg 1.15746e+07 2.02435e+08 31.67272 49.01029 134.89193 1.00000 None parabolic box sum 715 873 2.81949 8.90380 33.63354 30GlnHgb 31AlaH 30GlnCg 3.19063e+06 5.49695e+07 35.95769 44.67750 131.79110 1.00000 None parabolic box sum 716 874 2.82233 8.29757 33.68875 30GlnHgb 30GlnH 30GlnCg 1.68205e+07 3.05691e+08 36.37075 48.67076 137.74098 1.00000 None parabolic box sum 717 875 1.99032 2.82620 33.68111 30GlnHga 30GlnHgb 30GlnCg 5.45874e+07 9.89341e+08 32.64904 56.23382 135.86308 1.00000 None parabolic box sum 718 876 1.99442 1.53768 33.67797 30GlnHga 69AlaHb* 30GlnCg 5.58326e+06 8.92824e+07 29.22416 47.43088 117.24886 1.00000 None parabolic box sum 719 877 2.82178 1.63055 33.69793 30GlnHgb 26LeuHg 30GlnCg 3.73522e+06 7.17863e+07 34.63447 116.89797 144.02864 1.00000 None parabolic box sum 720 878 2.82229 1.55430 33.69405 30GlnHgb 69AlaHb* 30GlnCg 4.10575e+06 7.86542e+07 33.09488 113.20065 137.24105 1.00000 None parabolic box sum 721 879 2.82232 1.99854 33.68243 30GlnHgb 30GlnHga 30GlnCg 6.59269e+07 1.23244e+09 36.26704 60.05735 135.82288 1.00000 None parabolic box sum 722 880 1.98936 3.44006 33.66464 30GlnHga 27ValHa 30GlnCg 3.29530e+06 5.53760e+07 30.45082 49.11630 124.90709 1.00000 None parabolic box sum 723 881 2.82125 3.44469 33.65808 30GlnHgb 27ValHa 30GlnCg 2.82789e+06 5.01518e+07 36.04770 47.52565 133.23467 1.00000 None parabolic box sum 724 882 2.82549 4.33910 33.74981 30GlnHgb {*}Ha 30GlnCg 1.87667e+06 3.64881e+07 45.35973 55.48249 159.18158 1.00000 None parabolic box sum 725 883 2.82255 4.13281 33.66894 30GlnHgb 30GlnHa 30GlnCg 9.84455e+06 1.82560e+08 36.09180 56.31464 138.05216 1.00000 None parabolic box sum 726 884 1.98957 4.13459 33.60753 30GlnHga 30GlnHa 30GlnCg 1.05012e+07 2.05138e+08 33.18608 56.45081 193.03124 1.00000 None parabolic box sum 727 885 1.99039 4.35398 33.62308 30GlnHga (26Leu/29Asp)Ha 30GlnCg 1.91699e+06 2.79301e+07 29.82497 51.78198 555.56199 1.00000 None parabolic box sum 728 886 2.82197 7.18713 33.68544 30GlnHgb 30GlnHe2b 30GlnCg 1.40693e+07 2.52628e+08 36.65626 47.73906 138.10777 1.00000 None parabolic box sum 729 887 2.82321 6.90222 33.70236 30GlnHgb 30GlnHe2a 30GlnCg 5.98406e+06 1.08672e+08 37.77564 46.87525 140.93295 1.00000 None parabolic box sum 730 888 1.99064 7.18688 33.68968 30GlnHga 30GlnHe2b 30GlnCg 9.72711e+06 1.68120e+08 32.11558 48.72331 133.26943 1.00000 None parabolic box sum 731 889 1.99081 6.90307 33.70195 30GlnHga 30GlnHe2a 30GlnCg 3.81300e+06 6.71309e+07 34.12426 47.62280 136.91039 1.00000 None parabolic box sum 732 890 1.98988 0.92072 33.50745 30GlnHga 26LeuHdb* 30GlnCg 1.30841e+07 2.55329e+08 32.75871 49.38426 336.62479 1.00000 None parabolic box sum 733 891 1.98886 0.77934 33.59761 30GlnHga 26LeuHda* 30GlnCg 2.25542e+07 4.20773e+08 33.26058 52.12958 166.59891 1.00000 None parabolic box sum 734 892 2.82194 0.92375 33.67777 30GlnHgb 26LeuHdb* 30GlnCg 1.22891e+07 2.25920e+08 38.05995 49.87758 136.30376 1.00000 None parabolic box sum 735 893 2.82278 0.77836 33.67521 30GlnHgb 26LeuHda* 30GlnCg 1.52154e+07 2.74667e+08 35.98213 51.09317 135.26597 1.00000 None parabolic box sum 736 894 1.99180 2.10610 33.68450 30GlnHga 30GlnHbb 30GlnCg 1.92401e+07 4.05171e+08 33.57887 142.99580 134.33170 1.00000 None None box sum 737 895 2.82182 2.10309 33.68450 30GlnHgb 30GlnHbb 30GlnCg 1.48405e+07 3.23632e+08 37.35662 141.00102 134.91354 1.00000 None None box sum 738 899 2.14368 0.74304 25.95058 92LeuHg 92LeuHda* 92LeuCg 8.94944e+07 1.63485e+09 37.27436 57.57960 120.17439 1.00000 None parabolic box sum 739 900 2.14182 1.07524 25.95413 92LeuHg 92LeuHdb* 92LeuCg 1.31676e+07 2.44425e+08 38.39195 54.04473 127.47324 1.00000 None parabolic box sum 740 901 2.14331 0.90442 25.95445 92LeuHg 92LeuHba 92LeuCg 1.15331e+07 2.19272e+08 38.18274 179.53859 133.75863 1.00000 None parabolic box sum 741 902 2.14160 1.25262 25.94589 92LeuHg 23ThrHg2* 92LeuCg 5.51797e+06 1.04697e+08 39.02912 88.23916 123.83651 1.00000 None parabolic box sum 742 903 2.14412 1.97910 25.94099 92LeuHg 92LeuHbb 92LeuCg 9.50400e+06 1.89227e+08 40.91859 198.46475 140.85255 1.00000 None parabolic box sum 743 904 2.14494 3.80248 25.95300 92LeuHg 89AlaHa 92LeuCg 5.26013e+06 9.80689e+07 37.65404 54.63520 128.28993 1.00000 None parabolic box sum 744 905 2.14325 3.59852 25.94946 92LeuHg 92LeuHa 92LeuCg 5.12037e+06 9.61701e+07 39.53397 52.76544 134.82347 1.00000 None parabolic box sum 745 908 1.93413 7.60916 26.08354 14LeuHg 18GluH 14LeuCg 1.28100e+07 2.42085e+08 36.69620 49.28990 157.09995 1.00000 None parabolic box sum 746 913 1.32389 8.55323 26.03335 88ValHgb* 88ValH 88ValCgb 3.91972e+07 6.24179e+08 26.12591 48.88566 124.65501 1.00000 None parabolic box sum 747 914 1.32363 6.58980 26.04147 88ValHgb* 49PheHz 88ValCgb 2.12192e+07 3.48171e+08 26.31724 51.46803 131.90822 1.00000 None parabolic box sum 748 916 1.32532 7.33479 26.02441 88ValHgb* 84ThrH 88ValCgb 5.17790e+06 8.39702e+07 26.87871 47.15814 140.32874 1.00000 None parabolic box sum 749 917 1.33231 7.67850 26.11872 88ValHgb* 82HisH 88ValCgb 4.74650e+06 8.91346e+07 91.67552 60.71641 140.57508 1.00000 None parabolic box sum 750 918 1.32164 8.26235 26.21108 88ValHgb* 87AlaH 88ValCgb 2.27413e+06 3.57675e+07 22.45963 49.09360 147.65177 1.00000 None parabolic box sum 751 919 1.32021 4.08270 26.18956 88ValHgb* 85ProHa 88ValCgb 9.82612e+06 1.93319e+08 38.88726 55.75881 159.19004 1.00000 None parabolic box sum 752 920 1.32354 3.84203 26.11990 88ValHgb* 79IleHa 88ValCgb 1.01695e+07 1.92967e+08 34.36089 63.73636 146.89220 1.00000 None parabolic box sum 753 921 1.32385 3.41916 26.02758 88ValHgb* 88ValHa 88ValCgb 3.43295e+07 5.49232e+08 26.00491 50.85467 125.29700 1.00000 None parabolic box sum 754 922 1.32387 3.12184 26.03060 88ValHgb* 82HisHbb 88ValCgb 1.85070e+07 3.03943e+08 26.32678 60.15490 124.76957 1.00000 None parabolic box sum 755 923 1.32365 2.33835 26.03279 88ValHgb* 88ValHb 88ValCgb 4.72469e+07 7.87325e+08 26.24094 62.07802 127.15527 1.00000 None parabolic box sum 756 924 1.32429 1.74352 26.07848 88ValHgb* 87AlaHb* 88ValCgb 1.28980e+07 2.05296e+08 27.78828 49.08325 140.63341 1.00000 None parabolic box sum 757 925 1.32559 1.05315 26.05243 88ValHgb* (66Leu/78Leu)Hdb* 88ValCgb 2.08256e+07 3.72666e+08 62.98184 73.86477 139.37603 1.00000 None parabolic box sum 758 926 1.32433 0.90671 26.03744 88ValHgb* 88ValHga* 88ValCgb 7.00488e+07 1.13190e+09 25.98286 51.24765 130.04694 1.00000 None parabolic box sum 759 928 1.32387 -0.14402 26.04717 88ValHgb* 79IleHg2* 88ValCgb 1.56099e+07 2.49894e+08 28.17631 47.09125 128.83459 1.00000 None parabolic box sum 760 930 1.50979 8.82782 24.58601 50LysHga 50LysH 50LysCg 3.36016e+06 5.57839e+07 28.38433 49.86912 117.15003 1.00000 None parabolic box sum 761 931 1.61454 8.81968 24.58311 50LysHgb 50LysH 50LysCg 3.59287e+06 6.05375e+07 32.18710 46.36710 129.14954 1.00000 None parabolic box sum 762 932 1.61448 8.08935 24.58755 50LysHgb 51AspH 50LysCg 2.50458e+06 4.45184e+07 33.75888 56.57056 123.05850 1.00000 None parabolic box sum 763 933 1.61325 4.31139 24.56882 50LysHgb 50LysHa 50LysCg 1.01363e+07 1.84050e+08 33.23078 108.71417 128.36942 1.00000 None parabolic box sum 764 934 1.50969 4.31715 24.58114 50LysHga 50LysHa 50LysCg 1.13398e+07 1.99556e+08 31.67510 55.20258 133.73807 1.00000 None parabolic box sum 765 935 1.61469 3.07045 24.57960 50LysHgb 50LysHea 50LysCg 1.03398e+07 1.75946e+08 32.10902 47.44800 130.37942 1.00000 None parabolic box sum 766 937 1.60906 1.98353 24.71974 50LysHgb 50LysHbb 50LysCg 2.35145e+07 4.64918e+08 38.75613 177.44307 145.61517 1.00000 None parabolic box sum 767 938 1.61544 1.79471 24.55685 50LysHgb 50LysHda 50LysCg 6.28693e+07 1.17420e+09 31.91948 77.54138 134.00224 1.00000 None parabolic box sum 768 941 1.50045 1.62488 24.64528 50LysHga 50LysHgb 50LysCg 2.20738e+08 4.44125e+09 47.80293 142.66971 131.82752 1.00000 None parabolic box sum 769 942 1.61229 1.50019 24.61831 50LysHgb 50LysHga 50LysCg 2.48230e+08 4.51635e+09 29.91796 127.35446 131.36658 1.00000 None parabolic box sum 770 945 1.59637 4.21276 25.00355 10LysHgb (7Leu/10Lys)Ha 10LysCg 1.53069e+07 2.67084e+08 30.93421 58.76373 130.41267 1.00000 None parabolic box sum 771 946 1.46558 4.21363 24.96356 10LysHga 10LysHa 10LysCg 1.66534e+07 2.95750e+08 32.08280 54.01765 129.42127 1.00000 None parabolic box sum 772 948 1.59785 7.60480 24.99564 10LysHgb 11LeuH 10LysCg 2.06793e+06 3.78384e+07 38.44917 41.20943 133.45758 1.00000 None parabolic box sum 773 951 1.47508 0.77996 24.86612 10LysHga 11LeuHdb* 10LysCg 3.92856e+06 5.40958e+07 29.20449 125.70647 95.52853 1.00000 None parabolic box sum 774 952 1.73181 8.36322 27.18229 57LeuHg 57LeuH 57LeuCg 1.75065e+07 3.06132e+08 31.57258 48.34387 135.45941 1.00000 None parabolic box sum 775 953 1.73149 8.98860 27.19276 57LeuHg 58ThrH 57LeuCg 5.50069e+06 9.14745e+07 29.38747 48.49756 131.26835 1.00000 None parabolic box sum 776 954 1.73204 4.47842 27.19024 57LeuHg 57LeuHa 57LeuCg 1.23453e+07 2.19683e+08 32.02140 51.81702 133.30464 1.00000 None parabolic box sum 777 956 1.73417 4.01253 27.09882 57LeuHg 56SerHa 57LeuCg 2.44021e+06 4.83713e+07 97.64194 135.41841 148.11996 1.00000 None parabolic box sum 778 957 1.73140 2.06807 27.17427 57LeuHg 57LeuHbb 57LeuCg 5.22986e+07 9.20407e+08 31.14700 49.28392 135.67522 1.00000 None parabolic box sum 779 958 1.72087 0.92334 27.11533 57LeuHg 57LeuHda* 57LeuCg 3.28911e+07 6.90605e+08 137.63607 59.85270 132.59978 1.00000 None parabolic box sum 780 961 1.80086 9.30008 26.76632 28LeuHg 29AspH 28LeuCg 3.24134e+06 5.83037e+07 36.86666 46.39935 128.71550 1.00000 None parabolic box sum 781 962 1.80766 7.96323 26.79380 93LeuHg 20ArgH 93LeuCg 2.47978e+06 4.42144e+07 35.66921 43.44002 137.86718 1.00000 None parabolic box sum 782 963 1.81167 3.88995 26.97419 93LeuHg 93LeuHa 93LeuCg 1.45883e+07 2.72411e+08 35.29787 118.16531 136.62370 1.00000 None parabolic box sum 783 964 1.80822 3.76927 26.94409 93LeuHg 100GlyHaa 93LeuCg 2.54212e+06 5.08081e+07 36.16810 305.13318 144.55638 1.00000 None parabolic box sum 784 965 1.80169 3.99337 26.75882 28LeuHg 28LeuHa 28LeuCg 1.30349e+07 2.54873e+08 37.82749 124.84605 133.09215 1.00000 None parabolic box sum 785 966 1.80356 1.57361 26.75594 28LeuHg 28LeuHba 28LeuCg 2.67129e+07 5.09801e+08 36.04054 94.80483 137.15144 1.00000 None parabolic box sum 786 973 1.65076 4.50003 27.20381 43LeuHg 43LeuHa 43LeuCg 9.51723e+06 1.74869e+08 34.62434 56.26686 138.90965 1.00000 None parabolic box sum 787 974 1.64675 4.23691 27.01218 43LeuHg 40ThrHa 43LeuCg 1.59352e+07 3.04057e+08 35.09283 130.31399 139.94125 1.00000 None parabolic box sum 788 976 1.62754 2.82342 27.09458 26LeuHg 30GlnHgb 26LeuCg 3.97530e+06 7.19673e+07 33.17893 54.25934 138.05518 1.00000 None parabolic box sum 789 977 1.62877 2.07203 27.07236 26LeuHg 26LeuHbb 26LeuCg 2.24153e+07 4.07548e+08 33.03051 60.41052 137.74990 1.00000 None parabolic box sum 790 978 1.65350 1.42692 27.22838 43LeuHg 43LeuHba 43LeuCg 3.06956e+07 5.09370e+08 32.08101 51.12024 132.07718 1.00000 None parabolic box sum 791 980 1.42925 7.80323 26.64279 99IleHg1b 99IleH 99IleCg1 1.35109e+07 2.47728e+08 29.91259 59.32633 135.21852 1.00000 None parabolic box sum 792 981 1.42141 8.20385 26.70922 99IleHg1b 100GlyH 99IleCg1 3.09458e+06 4.90698e+07 27.53019 40.18526 173.02908 1.00000 None parabolic box sum 793 982 1.42837 4.34589 26.61874 99IleHg1b 99IleHa 99IleCg1 7.47003e+06 1.30294e+08 29.53529 53.71386 133.19008 1.00000 None parabolic box sum 794 983 1.42668 1.95114 26.62336 99IleHg1b 99IleHb 99IleCg1 2.34819e+07 4.08595e+08 33.23436 51.32290 127.69056 1.00000 None parabolic box sum 795 984 1.42717 1.20964 26.61530 99IleHg1b 99IleHg1a 99IleCg1 1.89003e+08 3.26782e+09 27.93372 50.44775 138.88638 1.00000 None parabolic box sum 796 985 1.20755 1.43161 26.60657 99IleHg1a 99IleHg1b 99IleCg1 1.90786e+08 3.18229e+09 27.47595 49.84334 134.09292 1.00000 None parabolic box sum 797 986 1.43706 0.82890 26.61021 99IleHg1b 99IleHd1* 99IleCg1 6.75036e+07 1.36968e+09 57.06728 62.73777 140.42606 1.00000 None parabolic box sum 798 987 1.22114 4.33866 26.75670 99IleHg1a 99IleHa 99IleCg1 1.71268e+07 3.10920e+08 35.26628 53.08516 130.90715 1.00000 None parabolic box sum 799 988 1.20629 7.81025 26.60628 99IleHg1a 99IleH 99IleCg1 1.66215e+07 2.74160e+08 29.66166 46.73361 127.91997 1.00000 None parabolic box sum 800 989 1.21527 8.20774 26.73890 99IleHg1a 100GlyH 99IleCg1 2.76359e+06 4.55872e+07 32.68540 42.89165 147.13733 1.00000 None parabolic box sum 801 990 1.46516 4.45250 26.73334 72LeuHg 72LeuHa 72LeuCg 5.95431e+06 1.09810e+08 33.80775 57.80615 153.53062 1.00000 None parabolic box sum 802 991 1.46453 4.13758 26.72583 72LeuHg 70ThrHb 72LeuCg 9.61208e+06 1.85595e+08 40.25161 56.71838 146.81422 1.00000 None parabolic box sum 803 992 1.22784 7.30978 26.79993 96IleHg1a 96IleH 96IleCg1 1.55729e+07 2.79446e+08 37.40668 46.49779 128.76175 1.00000 None parabolic box sum 804 995 1.22832 3.90034 26.79989 96IleHg1a 93LeuHa 96IleCg1 1.06157e+07 1.96473e+08 39.75272 58.82385 128.28993 1.00000 None parabolic box sum 805 996 1.22813 1.65040 26.83415 96IleHg1a 96IleHg1b 96IleCg1 8.18788e+07 1.44862e+09 34.50215 52.04835 126.69675 1.00000 None parabolic box sum 806 1009 2.04849 7.63602 28.17681 63ArgHba 63ArgH 63ArgCb 9.48320e+06 1.73547e+08 39.01482 47.92112 136.55932 1.00000 None parabolic box sum 807 1010 2.04695 8.80494 28.15927 63ArgHba 64AspH 63ArgCb 3.90717e+06 7.50033e+07 38.06591 52.71766 151.32688 1.00000 None parabolic box sum 808 1011 2.29352 8.80491 28.18739 63ArgHbb 64AspH 63ArgCb 6.28703e+06 1.32337e+08 45.91405 97.91357 141.99839 1.00000 None None box sum 809 1012 2.29780 3.64235 28.06664 63ArgHbb 63ArgHa 63ArgCb 5.99532e+06 1.21456e+08 45.79902 50.72367 221.97320 1.00000 None parabolic box sum 810 1014 2.28739 2.04338 28.17710 63ArgHbb 63ArgHba 63ArgCb 2.01258e+07 4.04732e+08 47.42622 56.57186 204.96472 1.00000 None parabolic box sum 811 1020 1.50714 7.99637 29.40272 20ArgHga 20ArgH 20ArgCg 7.32104e+06 1.29221e+08 31.28588 50.65738 132.24493 1.00000 None parabolic box sum 812 1021 1.51079 7.70020 29.40467 20ArgHga 21AlaH 20ArgCg 3.59094e+06 5.84838e+07 30.16114 48.41603 149.35104 1.00000 None parabolic box sum 813 1022 1.50774 3.90185 29.37911 20ArgHga 20ArgHa 20ArgCg 1.14470e+07 2.13123e+08 34.25658 58.01280 138.95378 1.00000 None parabolic box sum 814 1024 1.50797 3.19028 29.35284 20ArgHga 20ArgHda 20ArgCg 1.47344e+07 2.77081e+08 35.60066 58.39384 138.19512 1.00000 None parabolic box sum 815 1025 1.50873 1.94180 29.45312 20ArgHga 20ArgHbb 20ArgCg 1.58654e+07 3.02566e+08 34.63089 184.57094 135.10729 1.00000 None parabolic box sum 816 1026 1.51002 1.78532 29.15698 20ArgHga 20ArgHgb 10LysCd 7.02480e+07 1.26481e+09 26.01266 72.38998 148.43249 1.00000 None parabolic box sum 817 1029 1.74776 3.19060 29.39056 20ArgHgb 20ArgHda 20ArgCg 1.19310e+07 2.24106e+08 36.05247 60.25285 137.89619 1.00000 None parabolic box sum 818 1030 1.75072 3.90290 29.37779 20ArgHgb 20ArgHa 20ArgCg 1.03797e+07 2.01202e+08 39.95478 59.24192 145.56470 1.00000 None parabolic box sum 819 1031 1.75678 7.70590 29.34676 20ArgHgb 21AlaH 20ArgCg 3.79544e+06 7.94119e+07 95.87586 53.63124 230.20178 1.00000 None parabolic box sum 820 1032 1.75040 7.99484 29.41925 20ArgHgb 20ArgH 20ArgCg 8.68411e+06 1.65562e+08 43.14065 49.87270 137.49540 1.00000 None parabolic box sum 821 1034 1.65449 4.20878 29.03440 10LysHdb 10LysHa 10LysCd 9.30638e+06 1.73044e+08 66.25772 54.39033 128.25306 1.00000 None parabolic box sum 822 1035 1.60699 4.20789 29.00629 10LysHda 10LysHa 10LysCd 9.02251e+06 1.84017e+08 66.98489 54.86773 132.84038 1.00000 None parabolic box sum 823 1036 1.60488 7.74700 29.01957 10LysHda 10LysH 10LysCd 3.06770e+06 6.09617e+07 72.71290 47.18253 125.80298 1.00000 None None box sum 824 1037 1.65071 3.98932 28.79976 25LysHda 25LysHa 25LysCd 6.70135e+06 1.18316e+08 32.24492 51.02866 132.64119 1.00000 None parabolic box sum 825 1051 1.78763 3.98244 28.80671 25LysHdb 25LysHa 25LysCd 7.27216e+06 1.37163e+08 37.72020 60.59447 135.52712 1.00000 None parabolic box sum 826 1055 1.78998 4.31724 29.05460 50LysHda 50LysHa 50LysCd 4.70295e+06 9.55816e+07 53.01595 51.35874 129.83083 1.00000 None parabolic box sum 827 1056 1.48894 1.82990 41.10881 93LeuHba 93LeuHbb 93LeuCb 8.49524e+07 1.67035e+09 37.87398 56.60888 161.26910 1.00000 None parabolic box sum 828 1057 1.48899 3.88771 41.12239 93LeuHba 93LeuHa 93LeuCb 2.45160e+07 4.57998e+08 37.68921 54.02243 135.69593 1.00000 None parabolic box sum 829 1058 1.83105 3.88569 41.10996 93LeuHbb 93LeuHa 93LeuCb 2.33869e+07 4.40979e+08 39.60013 53.98739 136.75254 1.00000 None parabolic box sum 830 1060 1.83299 7.64798 41.12996 93LeuHbb 93LeuH 93LeuCb 2.25902e+07 4.55257e+08 91.09318 61.54866 140.41609 1.00000 None parabolic box sum 831 1062 1.47449 7.36596 40.73655 62LeuHba 54PheHd* 62LeuCb 2.45403e+06 4.79867e+07 52.01876 68.63612 155.29232 1.00000 None parabolic box sum 832 1063 1.48969 8.49332 40.77761 62LeuHba 62LeuH 62LeuCb 1.18269e+07 2.23502e+08 42.88018 49.60544 136.12551 1.00000 None parabolic box sum 833 1064 1.80273 8.49308 40.77351 62LeuHbb 62LeuH 62LeuCb 1.46680e+07 2.74853e+08 42.35446 48.50980 136.03702 1.00000 None parabolic box sum 834 1065 1.80314 4.06403 40.83958 62LeuHbb 62LeuHa 62LeuCb 7.99181e+06 1.57095e+08 47.40179 59.29846 140.33478 1.00000 None parabolic box sum 835 1066 1.48559 4.06407 40.80707 62LeuHba 62LeuHa 62LeuCb 9.20291e+06 1.76310e+08 42.22691 57.19418 142.31319 1.00000 None parabolic box sum 836 1067 0.23754 -0.14885 26.76857 62LeuHda* 79IleHg2* 62LeuCda 2.49997e+07 4.05740e+08 25.26939 49.60604 126.40900 1.00000 None parabolic box sum 837 1068 0.23711 0.00769 26.77137 62LeuHda* 79IleHd1* 62LeuCda 2.36077e+07 3.16716e+08 25.25806 30.94146 125.53911 1.00000 None parabolic box sum 838 1069 0.89309 0.24007 23.13625 62LeuHdb* 62LeuHda* 62LeuCdb 6.81087e+07 1.10679e+09 26.18372 56.20157 124.07861 1.00000 None parabolic box sum 839 1070 0.90121 3.42467 23.11559 88ValHga* 88ValHa 88ValCga 3.58433e+07 5.69859e+08 25.04587 52.27610 124.29986 1.00000 None parabolic box sum 840 1071 0.89201 4.06743 23.13316 62LeuHdb* 62LeuHa 62LeuCdb 5.93013e+07 1.06388e+09 51.06211 137.53145 127.56935 1.00000 None parabolic box sum 841 1072 0.89969 7.02389 23.12694 62LeuHdb* 49PheHe* 62LeuCdb 7.61528e+06 1.32776e+08 28.13160 60.71810 125.12532 1.00000 None parabolic box sum 842 1074 0.89214 8.90635 23.14908 62LeuHdb* 31AlaH 62LeuCdb 1.59710e+07 2.51959e+08 25.97153 46.48406 124.85148 1.00000 None parabolic box sum 843 1075 0.89292 8.76751 23.16156 62LeuHdb* {*}H 62LeuCdb 1.14919e+07 1.85692e+08 29.58775 54.74788 131.16316 1.00000 None parabolic box sum 844 1076 0.76866 7.60708 22.65047 11LeuHdb* 11LeuH 11LeuCdb 1.29553e+07 2.06674e+08 24.35446 49.63749 150.50052 1.00000 None parabolic box sum 845 1079 0.77579 7.34163 22.76356 11LeuHdb* 12AlaH 11LeuCdb 3.94094e+06 7.57637e+07 28.17631 54.84125 237.08956 1.00000 None parabolic box sum 846 1083 0.85451 7.33463 22.92882 34ValHga* 54PheHz 34ValCga 8.50599e+06 1.62996e+08 52.97720 160.05519 260.52247 1.00000 None parabolic box sum 847 1084 0.85068 8.52601 22.82346 72LeuHda* 73AsnH 72LeuCda 1.85928e+07 3.04314e+08 57.36589 63.13603 126.02423 1.00000 None parabolic box sum 848 1085 1.00195 7.65535 22.35847 34ValHgb* 35LeuH 34ValCgb 1.25132e+07 2.03560e+08 25.71464 52.88310 128.68679 1.00000 None parabolic box sum 849 1087 1.00112 8.48904 22.35021 34ValHgb* 62LeuH 34ValCgb 9.28946e+06 1.48250e+08 24.95706 47.48205 134.22349 1.00000 None parabolic box sum 850 1088 1.00519 7.36651 22.40607 34ValHgb* 54PheHd* 34ValCgb 1.02022e+07 1.79948e+08 24.60420 62.74235 302.27383 1.00000 None parabolic box sum 851 1089 1.00214 7.21898 22.37992 34ValHgb* 54PheHe* 34ValCgb 2.20452e+07 3.62492e+08 25.57039 59.03746 128.24580 1.00000 None parabolic box sum 852 1090 0.77961 3.44090 23.30021 66LeuHda* 27ValHa 66LeuCda 4.48167e+07 6.99034e+08 24.22512 50.10931 127.41430 1.00000 None parabolic box sum 853 1091 0.78277 4.13577 23.30290 66LeuHda* (66Leu/30Gln)Ha 66LeuCda 8.55440e+07 1.44464e+09 26.51215 61.21640 140.78152 1.00000 None parabolic box sum 854 1092 0.78073 2.82830 23.24344 66LeuHda* 30GlnHgb 66LeuCda 1.39686e+07 2.38741e+08 24.69420 63.81002 155.88247 1.00000 None parabolic box sum 855 1094 0.84994 8.02306 22.97775 34ValHga* 34ValH 34ValCga 5.01427e+07 7.83458e+08 25.71046 49.45643 129.33180 1.00000 None parabolic box sum 856 1095 1.09920 8.12806 22.17115 45ThrHg2* 45ThrH 45ThrCg2 1.39196e+07 2.16494e+08 23.41270 49.74360 133.63410 1.00000 None parabolic box sum 857 1096 1.10374 8.36139 22.23772 45ThrHg2* 44AspH 45ThrCg2 2.56490e+06 3.86943e+07 17.65132 63.39603 304.26569 1.00000 None parabolic box sum 858 1097 1.09942 6.98871 22.11727 45ThrHg2* 46HisHd2 45ThrCg2 3.47902e+06 5.11751e+07 21.59059 41.50128 132.44140 1.00000 None parabolic box sum 859 1098 1.00218 0.23539 22.39904 34ValHgb* 62LeuHda* 34ValCgb 4.50488e+06 6.64538e+07 24.84083 41.87654 146.86107 1.00000 None parabolic box sum 860 1099 1.00152 0.09505 22.40187 34ValHgb* 35LeuHda* 34ValCgb 1.41357e+07 2.28463e+08 25.22826 49.33409 134.70589 1.00000 None parabolic box sum 861 1100 1.15275 0.24719 21.06793 27ValHgb* 62LeuHda* 27ValCgb 8.91544e+06 1.38588e+08 24.27995 52.31313 128.81011 1.00000 None parabolic box sum 862 1102 1.15145 7.02374 21.06952 27ValHgb* 49PheHe* 27ValCgb 1.18224e+07 1.96636e+08 25.17879 59.68567 129.37019 1.00000 None parabolic box sum 863 1104 1.15364 8.38009 21.05782 27ValHgb* 28LeuH 27ValCgb 1.00549e+07 1.58949e+08 24.56069 53.33043 127.67363 1.00000 None parabolic box sum 864 1105 1.15157 8.90365 21.07025 27ValHgb* 31AlaH 27ValCgb 3.68229e+06 5.60440e+07 24.28055 43.96111 132.08474 1.00000 None parabolic box sum 865 1109 1.04402 7.35797 24.53186 78LeuHdb* 78LeuH 78LeuCdb 7.82034e+06 1.22680e+08 24.96243 46.97061 130.48037 1.00000 None parabolic box sum 866 1110 1.00833 8.36723 24.82419 57LeuHdb* 57LeuH 57LeuCdb 7.10833e+06 1.00776e+08 20.62380 46.65985 137.71726 1.00000 None parabolic box sum 867 1111 1.01023 8.99224 24.83402 57LeuHdb* 58ThrH 57LeuCdb 3.53120e+06 5.12642e+07 20.47896 56.16812 131.54340 1.00000 None parabolic box sum 868 1112 1.04336 6.69798 24.54540 78LeuHdb* 82HisHd2 78LeuCdb 2.76667e+07 4.21375e+08 24.01650 49.76669 132.14187 1.00000 None parabolic box sum 869 1113 1.04321 6.18803 24.54828 78LeuHdb* 91HisHd2 78LeuCdb 4.33756e+07 6.57146e+08 23.85437 48.42728 130.68016 1.00000 None parabolic box sum 870 1114 1.00612 4.48140 24.81093 57LeuHdb* 57LeuHa 57LeuCdb 9.51587e+06 1.40218e+08 21.43502 49.44279 134.94558 1.00000 None parabolic box sum 871 1115 1.00697 2.07097 24.80350 57LeuHdb* 57LeuHbb 57LeuCdb 3.38394e+07 5.27958e+08 23.56291 46.77312 133.06314 1.00000 None parabolic box sum 872 1116 1.00738 1.74606 24.77096 57LeuHdb* 57LeuHba 57LeuCdb 6.01272e+07 9.94559e+08 24.65189 52.77181 139.75083 1.00000 None parabolic box sum 873 1117 0.75651 8.22319 25.15191 52LeuHda* 52LeuH 52LeuCda 9.68026e+06 1.59670e+08 25.11203 55.48756 140.93990 1.00000 None parabolic box sum 874 1118 0.75624 7.39490 25.15646 52LeuHda* 54PheHd* 52LeuCda 6.55818e+06 1.03361e+08 23.37813 65.68914 129.42006 1.00000 None parabolic box sum 875 1119 0.75654 7.22387 25.18114 52LeuHda* (54Phe/80Phe)He* 52LeuCda 1.01989e+07 1.69652e+08 24.86527 56.04429 130.88872 1.00000 None parabolic box sum 876 1122 0.75675 4.30581 25.23042 52LeuHda* 52LeuHa 52LeuCda 2.42973e+07 4.17885e+08 24.46830 62.52754 190.48581 1.00000 None parabolic box sum 877 1126 0.62541 2.32034 25.97727 35LeuHdb* 52LeuHbb 35LeuCdb 6.02534e+06 9.90835e+07 22.67897 94.59381 126.08498 1.00000 None parabolic box sum 878 1127 0.62508 1.82470 25.96385 35LeuHdb* 52LeuHba 35LeuCdb 1.35968e+07 2.18734e+08 23.89729 61.04161 128.71671 1.00000 None parabolic box sum 879 1128 0.62502 1.68104 25.95126 35LeuHdb* 31AlaHb* 35LeuCdb 1.33871e+07 2.03599e+08 23.50211 51.24048 123.30575 1.00000 None parabolic box sum 880 1129 0.62587 1.40741 25.97407 35LeuHdb* 35LeuHbb 35LeuCdb 1.18630e+08 1.85585e+09 23.25773 64.07599 119.18058 1.00000 None parabolic box sum 881 1130 0.62565 1.16307 25.95516 35LeuHdb* 35LeuHba 35LeuCdb 4.02501e+07 6.12086e+08 23.16773 55.13211 119.25614 1.00000 None parabolic box sum 882 1131 0.62532 1.02127 25.95990 35LeuHdb* 35LeuHg 35LeuCdb 1.29363e+07 1.89885e+08 23.08428 138.94571 125.59956 1.00000 None parabolic box sum 883 1132 0.62654 0.09654 26.02904 35LeuHdb* 35LeuHda* 35LeuCdb 1.08694e+08 1.75421e+09 24.71209 48.44619 137.57399 1.00000 None parabolic box sum 884 1133 0.62924 3.85621 26.16928 35LeuHdb* 32AlaHa 35LeuCdb 1.42972e+07 2.65257e+08 30.06101 50.02729 167.43162 1.00000 None parabolic box sum 885 1134 0.62303 4.34502 25.96649 35LeuHdb* 52LeuHa 35LeuCdb 4.24853e+06 6.36702e+07 21.00885 74.54045 127.86617 1.00000 None parabolic box sum 886 1135 0.62573 4.17435 25.95720 35LeuHdb* 31AlaHa 35LeuCdb 4.45781e+06 7.26139e+07 24.97554 185.23706 126.65141 1.00000 None parabolic box sum 887 1136 0.62516 4.00375 25.95987 35LeuHdb* 35LeuHa 35LeuCdb 1.69760e+07 2.52306e+08 22.67718 52.86578 119.86851 1.00000 None parabolic box sum 888 1137 0.62596 7.35989 25.96021 35LeuHdb* 54PheHd* 35LeuCdb 1.82543e+07 2.83107e+08 23.30244 62.21359 121.58018 1.00000 None parabolic box sum 889 1138 0.62599 7.22302 25.96310 35LeuHdb* 54PheHe* 35LeuCdb 2.08450e+07 3.28442e+08 23.96345 57.82865 123.00017 1.00000 None parabolic box sum 890 1139 0.62585 7.03439 25.95921 35LeuHdb* 37TyrHd* 35LeuCdb 7.67242e+06 1.21457e+08 23.69106 59.30045 126.49212 1.00000 None parabolic box sum 891 1140 0.62574 6.84194 25.95412 35LeuHdb* 37TyrHe* 35LeuCdb 1.96928e+07 2.96853e+08 23.60165 47.44084 123.45748 1.00000 None parabolic box sum 892 1141 0.62386 8.19058 25.96450 35LeuHdb* (37Tyr/52Leu)H 35LeuCdb 4.26663e+06 6.53890e+07 22.76182 62.25032 122.59998 1.00000 None parabolic box sum 893 1142 0.62622 8.02067 25.97402 35LeuHdb* 34ValH 35LeuCdb 2.48158e+06 3.44040e+07 21.43860 52.85831 111.36306 1.00000 None parabolic box sum 894 1143 0.62812 7.77647 25.93972 35LeuHdb* 36GlyH 35LeuCdb 3.17029e+06 4.20651e+07 22.32909 37.56914 120.74263 1.00000 None parabolic box sum 895 1144 0.62599 7.64750 26.04270 35LeuHdb* 35LeuH 35LeuCdb 2.52389e+07 4.00067e+08 24.26744 49.55895 135.27987 1.00000 None parabolic box sum 896 1145 0.62519 8.75435 25.99900 35LeuHdb* 32AlaH 35LeuCdb 2.06408e+06 2.61408e+07 20.85268 43.91343 114.51437 1.00000 None parabolic box sum 897 1146 1.16346 1.39351 41.88093 35LeuHba 35LeuHbb 35LeuCb 4.23268e+07 8.20585e+08 41.59093 62.32846 134.91105 1.00000 None parabolic box sum 898 1147 1.16225 4.00203 41.87064 35LeuHba 35LeuHa 35LeuCb 1.15941e+07 2.17547e+08 41.68093 51.80547 134.91800 1.00000 None parabolic box sum 899 1148 1.16330 3.85699 41.87807 35LeuHba 32AlaHa 35LeuCb 4.11816e+06 7.48645e+07 40.99786 47.47986 134.26196 1.00000 None parabolic box sum 900 1149 1.38428 4.00299 41.90802 35LeuHbb 35LeuHa 35LeuCb 9.60288e+06 1.86075e+08 43.48278 53.39931 135.22622 1.00000 None parabolic box sum 901 1150 1.38376 3.85673 41.87400 35LeuHbb 32AlaHa 35LeuCb 5.87177e+06 1.08412e+08 41.40854 46.76476 147.57492 1.00000 None parabolic box sum 902 1151 1.38145 7.03450 41.88670 35LeuHbb 37TyrHd* 35LeuCb 3.37059e+06 6.40732e+07 47.42563 46.55075 125.64958 1.00000 None parabolic box sum 903 1152 1.16607 7.02994 41.88767 35LeuHba 37TyrHd* 35LeuCb 3.07082e+06 5.43737e+07 42.76156 43.81877 130.41833 1.00000 None parabolic box sum 904 1153 1.16271 6.84078 41.91070 35LeuHba 37TyrHe* 35LeuCb 3.22076e+06 6.04595e+07 40.25042 46.84638 136.25306 1.00000 None parabolic box sum 905 1154 1.38514 6.83561 41.84826 35LeuHbb 37TyrHe* 35LeuCb 3.75125e+06 6.64617e+07 34.81567 46.60072 143.11681 1.00000 None parabolic box sum 906 1155 1.37761 7.77458 41.88488 35LeuHbb 36GlyH 35LeuCb 2.18105e+06 3.74373e+07 46.22996 41.21351 121.27150 1.00000 None parabolic box sum 907 1156 1.17019 7.77337 41.95575 35LeuHba 36GlyH 35LeuCb 2.38385e+06 4.04455e+07 51.10681 46.44036 126.33563 1.00000 None parabolic box sum 908 1157 1.38287 7.64722 41.88388 35LeuHbb 35LeuH 35LeuCb 1.26649e+07 2.38561e+08 46.89336 48.41344 140.68479 1.00000 None parabolic box sum 909 1158 1.16400 7.64706 41.88447 35LeuHba 35LeuH 35LeuCb 9.90055e+06 1.84386e+08 41.57484 50.87219 135.10245 1.00000 None parabolic box sum 910 1159 1.38678 8.19131 41.95954 35LeuHbb 37TyrH 35LeuCb 2.42451e+06 4.06218e+07 29.41728 51.80060 132.98901 1.00000 None parabolic box sum 911 1160 1.15894 8.20218 41.75638 35LeuHba 37TyrH 35LeuCb 1.90901e+06 3.23390e+07 32.04048 50.13260 131.82926 1.00000 None parabolic box sum 912 1161 1.38237 1.16651 41.89116 35LeuHbb 35LeuHba 35LeuCb 3.43929e+07 6.60444e+08 42.01770 56.18445 134.54033 1.00000 None parabolic box sum 913 1162 1.38305 0.87018 41.98229 35LeuHbb 34ValHga* 35LeuCb 3.74966e+06 7.17295e+07 42.85872 61.38283 330.71616 1.00000 None parabolic box sum 914 1163 1.16901 0.85857 41.86605 35LeuHba (34Val/43Leu)(Hga*/Hda*) 35LeuCb 2.78176e+06 5.15594e+07 38.73169 449.41225 168.85283 1.00000 None parabolic box sum 915 1164 1.38158 0.62927 41.89781 35LeuHbb 35LeuHdb* 35LeuCb 1.58849e+07 2.95260e+08 39.67106 52.03482 134.93493 1.00000 None parabolic box sum 916 1165 1.16494 0.62893 41.88190 35LeuHba 35LeuHdb* 35LeuCb 1.52116e+07 2.89610e+08 41.58020 54.28641 132.81287 1.00000 None parabolic box sum 917 1166 1.38237 0.09562 41.89285 35LeuHbb 35LeuHda* 35LeuCb 1.17077e+07 2.19703e+08 41.57901 49.08683 135.98753 1.00000 None parabolic box sum 918 1167 1.16390 0.09674 41.89110 35LeuHba 35LeuHda* 35LeuCb 1.39981e+07 2.62944e+08 43.18416 48.06038 132.73746 1.00000 None parabolic box sum 919 1168 1.68292 8.24538 42.11075 6LeuHbb 6LeuH 6LeuCb 9.14775e+06 1.80060e+08 38.05757 101.48398 133.61407 1.00000 None parabolic box sum 920 1169 1.56882 7.74180 43.43166 72LeuHbb 72LeuH 72LeuCb 9.62614e+06 1.77126e+08 39.94763 48.74173 138.53856 1.00000 None parabolic box sum 921 1170 1.22994 7.73937 43.41355 72LeuHba 72LeuH 72LeuCb 7.00838e+06 1.30384e+08 36.92210 49.53964 137.17146 1.00000 None parabolic box sum 922 1171 1.23271 8.55418 43.45700 72LeuHba 73AsnH 72LeuCb 6.56832e+06 1.15756e+08 37.26423 46.48963 141.93462 1.00000 None parabolic box sum 923 1172 1.56892 8.55173 43.41675 72LeuHbb 73AsnH 72LeuCb 3.88478e+06 6.81205e+07 38.44976 49.27277 129.97757 1.00000 None parabolic box sum 924 1173 1.56992 4.44991 43.45133 72LeuHbb 72LeuHa 72LeuCb 6.27785e+06 1.15848e+08 40.26771 52.94501 125.08036 1.00000 None parabolic box sum 925 1174 1.23066 4.44839 43.42581 72LeuHba 72LeuHa 72LeuCb 9.22969e+06 1.75464e+08 39.91663 54.35251 141.03828 1.00000 None parabolic box sum 926 1175 1.23623 4.15654 43.42984 72LeuHba 70ThrHb 72LeuCb 2.49981e+06 4.32436e+07 34.58440 61.21799 144.07194 1.00000 None parabolic box sum 927 1176 1.57875 4.14567 43.47267 72LeuHbb 70ThrHb 72LeuCb 2.33110e+06 4.78199e+07 50.64547 51.85246 144.59227 1.00000 None parabolic box sum 928 1177 1.22774 1.56825 43.42834 72LeuHba 72LeuHbb 72LeuCb 3.10796e+07 5.98817e+08 40.41314 80.58253 132.61081 1.00000 None parabolic box sum 929 1178 1.56917 1.23162 43.42322 72LeuHbb 72LeuHba 72LeuCb 2.91683e+07 5.52873e+08 40.40122 56.97758 133.20920 1.00000 None parabolic box sum 930 1180 1.22728 0.82658 43.42543 72LeuHba 72LeuHda* 72LeuCb 2.67544e+07 5.32583e+08 41.89134 80.30979 132.54878 1.00000 None parabolic box sum 931 1181 1.22804 1.47064 43.40643 72LeuHba 72LeuHg 72LeuCb 1.46716e+07 3.00665e+08 43.21754 138.48663 125.19189 1.00000 None None box sum 932 1182 1.52120 9.29328 45.22512 74LeuHbb 74LeuH 74LeuCb 6.82810e+06 1.25108e+08 39.55424 47.72279 129.89022 1.00000 None parabolic box sum 933 1183 1.52311 4.87209 45.17959 74LeuHbb 74LeuHa 74LeuCb 2.39554e+06 4.63937e+07 41.90683 49.52202 133.30037 1.00000 None parabolic box sum 934 1184 1.52430 3.65477 45.16680 74LeuHbb (63Arg/75Ser)(Ha/Hba) 74LeuCb 1.73179e+06 3.21236e+07 34.45983 57.70542 145.95109 1.00000 None parabolic box sum 935 1187 1.52468 2.86333 45.22395 74LeuHbb 67GlnHgb 74LeuCb 3.36144e+06 6.11857e+07 40.19320 53.74929 135.63861 1.00000 None parabolic box sum 936 1188 1.52700 2.63283 45.18088 74LeuHbb 67GlnHga 74LeuCb 4.21876e+06 7.80064e+07 37.13012 67.18363 139.79156 1.00000 None parabolic box sum 937 1189 1.52736 2.28613 45.20835 74LeuHbb 67GlnHba 74LeuCb 1.94122e+06 3.37648e+07 37.70530 58.01917 137.85395 1.00000 None parabolic box sum 938 1190 1.52140 2.03940 45.22860 74LeuHbb 66LeuHbb 74LeuCb 4.55444e+06 8.66703e+07 38.32102 70.23474 134.28708 1.00000 None parabolic box sum 939 1191 1.52495 1.05358 45.19084 74LeuHbb 78LeuHdb* 74LeuCb 6.97654e+06 1.17882e+08 38.48553 43.28324 132.79757 1.00000 None parabolic box sum 940 1192 1.52112 0.92829 45.20159 74LeuHbb 74LeuHdb* 74LeuCb 1.90191e+07 3.61786e+08 43.52570 126.03058 130.37912 1.00000 None parabolic box sum 941 1193 1.52207 0.81530 45.20113 74LeuHbb 74LeuHda* 74LeuCb 2.94358e+07 5.53429e+08 42.96958 56.83743 130.99851 1.00000 None parabolic box sum 942 1194 1.90740 8.87174 43.08183 14LeuHbb 15ThrH 14LeuCb 3.63730e+06 6.47662e+07 37.19509 49.03358 126.27238 1.00000 None parabolic box sum 943 1195 1.75616 8.87405 43.09849 14LeuHba 15ThrH 14LeuCb 4.23606e+06 7.91481e+07 46.27049 48.76293 131.11103 1.00000 None parabolic box sum 944 1196 1.89511 9.16512 43.08200 14LeuHbb 19GlnH 14LeuCb 2.59483e+06 4.45088e+07 46.45467 50.66962 130.19806 1.00000 None parabolic box sum 945 1197 1.75218 9.16512 42.99157 14LeuHba 19GlnH 14LeuCb 2.76250e+06 5.00970e+07 37.83464 47.46333 155.98554 1.00000 None parabolic box sum 946 1198 1.90794 7.37729 43.09666 14LeuHbb 14LeuH 14LeuCb 1.03186e+07 1.91713e+08 48.04075 48.03012 131.21190 1.00000 None parabolic box sum 947 1199 1.90611 4.73270 43.05515 14LeuHbb 14LeuHa 14LeuCb 3.08373e+06 5.56969e+07 34.16419 53.16838 130.07769 1.00000 None parabolic box sum 948 1200 1.75449 4.73483 43.07233 14LeuHba 14LeuHa 14LeuCb 3.14249e+06 5.88305e+07 44.00074 49.49296 126.38716 1.00000 None parabolic box sum 949 1204 1.90969 2.87059 43.11411 14LeuHbb 19GlnHgb 14LeuCb 5.87918e+06 1.12088e+08 41.51464 61.75232 129.83627 1.00000 None parabolic box sum 950 1205 1.75709 2.87230 43.03900 14LeuHba 19GlnHgb 14LeuCb 4.81893e+06 9.45648e+07 43.91253 58.90946 148.25522 1.00000 None parabolic box sum 951 1206 1.90615 2.39706 43.10029 14LeuHbb 18GluHbb 14LeuCb 6.07858e+06 1.22734e+08 141.77799 145.57071 131.28769 1.00000 None parabolic box sum 952 1207 1.91085 2.27368 43.09134 14LeuHbb 18GluHga 14LeuCb 6.79220e+06 1.35022e+08 131.07896 139.72452 141.28424 1.00000 None parabolic box sum 953 1208 1.90602 2.08169 43.07518 14LeuHbb 18GluHba 14LeuCb 4.86676e+06 8.95279e+07 38.38837 53.29659 134.83050 1.00000 None parabolic box sum 954 1209 1.90706 1.74782 43.09783 14LeuHbb 14LeuHba 14LeuCb 2.34390e+07 4.74398e+08 129.33493 95.55895 133.72266 1.00000 None parabolic box sum 955 1210 1.90720 0.88242 43.08854 14LeuHbb 14LeuHda* 14LeuCb 2.01541e+07 3.93447e+08 41.36622 58.84456 139.08602 1.00000 None parabolic box sum 956 1211 1.78479 0.89120 43.19101 43LeuHbb 43LeuHda* 43LeuCb 3.22177e+07 6.29758e+08 45.63093 116.58820 154.25369 1.00000 None parabolic box sum 957 1212 2.33103 1.83236 43.20044 52LeuHbb 52LeuHba 52LeuCb 4.62955e+07 8.73952e+08 38.09094 59.26581 134.45147 1.00000 None parabolic box sum 958 1213 1.82296 2.33395 43.20231 52LeuHba 52LeuHbb 52LeuCb 3.12750e+07 6.04882e+08 42.25016 59.66556 135.59301 1.00000 None parabolic box sum 959 1214 1.82390 4.33548 43.20057 52LeuHba 52LeuHa 52LeuCb 1.60890e+07 3.11442e+08 40.24327 63.12598 142.60646 1.00000 None parabolic box sum 960 1218 2.32986 0.62839 43.18680 52LeuHbb 35LeuHdb* 52LeuCb 4.20590e+06 7.37119e+07 39.27469 53.21536 130.96715 1.00000 None parabolic box sum 961 1219 1.82349 0.62901 43.20056 52LeuHba 35LeuHdb* 52LeuCb 6.63704e+06 1.20923e+08 38.03790 51.25243 137.47878 1.00000 None parabolic box sum 962 1222 2.33083 8.22131 43.21094 52LeuHbb 52LeuH 52LeuCb 1.32946e+07 2.44146e+08 36.73196 53.24920 134.58718 1.00000 None parabolic box sum 963 1223 2.33331 7.77301 43.17602 52LeuHbb 53GlyH 52LeuCb 2.48137e+06 4.65287e+07 38.31387 49.01437 146.09455 1.00000 None parabolic box sum 964 1224 2.33019 7.39889 43.18970 52LeuHbb 54PheHd* 52LeuCb 7.31735e+06 1.37268e+08 37.57477 57.56726 138.20306 1.00000 None parabolic box sum 965 1225 2.32898 6.91196 43.22357 52LeuHbb 54PheHz 52LeuCb 2.06583e+06 4.00873e+07 35.19237 65.37618 143.20681 1.00000 None parabolic box sum 966 1226 2.33217 7.22047 43.15770 52LeuHbb 54PheHe* 52LeuCb 3.11501e+06 5.98730e+07 37.72438 64.46519 125.74154 1.00000 None parabolic box sum 967 1227 1.82015 7.22916 43.19049 52LeuHba 54PheHe* 52LeuCb 3.11251e+06 5.94205e+07 39.41298 64.47196 133.00669 1.00000 None parabolic box sum 968 1228 1.82120 7.39150 43.16817 52LeuHba 54PheHd* 52LeuCb 6.36564e+06 1.29688e+08 139.43672 60.51046 144.37805 1.00000 None parabolic box sum 969 1229 1.82233 8.22215 43.20698 52LeuHba 52LeuH 52LeuCb 1.06790e+07 1.99810e+08 37.96995 54.22549 135.68301 1.00000 None parabolic box sum 970 1231 0.75517 2.49567 25.20100 52LeuHda* 85ProHda 52LeuCda 3.49808e+06 5.45560e+07 23.69463 188.21729 277.21056 1.00000 None parabolic box sum 971 1232 0.75571 1.00197 25.17434 52LeuHda* 52LeuHdb* 52LeuCda 6.83774e+07 1.03562e+09 23.49675 42.20941 124.39508 1.00000 None parabolic box sum 972 1233 1.00170 7.77332 22.95198 52LeuHdb* 53GlyH 52LeuCdb 2.85814e+06 4.70427e+07 23.05269 128.19179 170.21871 1.00000 None parabolic box sum 973 1234 1.00258 8.22688 23.10173 52LeuHdb* 52LeuH 52LeuCdb 1.04332e+07 1.69255e+08 24.26267 96.74676 120.34154 1.00000 None parabolic box sum 974 1235 0.99483 7.00719 23.17344 52LeuHdb* 49PheHe* 52LeuCdb 3.70970e+06 5.12127e+07 16.85977 157.01026 251.08638 1.00000 None parabolic box sum 975 1236 0.99663 6.85283 23.08872 52LeuHdb* 37TyrHe* 52LeuCdb 4.82806e+06 7.04062e+07 19.22548 68.43505 151.25344 1.00000 None parabolic box sum 976 1241 0.99960 2.80996 23.13110 52LeuHdb* {*}Hb* 52LeuCdb 3.96628e+06 6.26299e+07 23.41449 63.32466 135.77678 1.00000 None parabolic box sum 977 1242 1.00243 2.63685 23.10454 52LeuHdb* (54Phe/44Asp)Hba 52LeuCdb 2.49590e+06 3.67470e+07 23.61953 39.94029 129.28012 1.00000 None parabolic box sum 978 1247 1.95169 8.20548 38.60514 99IleHb 100GlyH 99IleCb 1.07645e+07 1.79275e+08 29.45483 44.92914 131.89719 1.00000 None parabolic box sum 979 1250 1.95286 7.15880 38.58958 99IleHb 19GlnHe2b 99IleCb 3.39589e+06 5.79207e+07 30.00677 49.11829 134.59497 1.00000 None parabolic box sum 980 1251 1.95140 6.81335 38.62343 99IleHb 19GlnHe2a 99IleCb 6.22766e+06 1.04034e+08 28.37062 48.76870 129.76221 1.00000 None parabolic box sum 981 1252 1.91968 7.30965 38.08046 96IleHb 96IleH 96IleCb 3.23983e+07 5.66894e+08 32.69315 47.75260 132.53842 1.00000 None parabolic box sum 982 1253 1.91998 7.46706 38.04316 96IleHb 95GlnH 96IleCb 3.18749e+06 5.43238e+07 29.58775 46.85534 136.23243 1.00000 None parabolic box sum 983 1254 1.91878 4.33845 38.20681 96IleHb 96IleHa 96IleCb 1.85848e+07 4.02237e+08 47.79696 49.41691 158.70084 1.00000 None None box sum 984 1255 1.92108 3.90750 38.07455 96IleHb 93LeuHa 96IleCb 1.20692e+07 2.19351e+08 33.90789 54.99315 133.10787 1.00000 None parabolic box sum 985 1256 1.92051 3.68135 38.07964 96IleHb 97ProHda 96IleCb 7.14966e+06 1.31941e+08 34.67381 54.11680 134.37311 1.00000 None parabolic box sum 986 1257 1.91967 1.64986 38.06825 96IleHb 96IleHg1b 96IleCb 2.02293e+07 3.66777e+08 32.83560 55.48169 131.54763 1.00000 None parabolic box sum 987 1258 1.92244 1.22724 38.13313 96IleHb 96IleHg1a 96IleCb 2.23251e+07 4.22552e+08 36.06021 54.81318 144.92966 1.00000 None parabolic box sum 988 1259 1.93761 0.90400 38.40477 99IleHb 99IleHg2* 99IleCb 6.60784e+07 1.33967e+09 43.21456 59.88495 160.23267 1.00000 None parabolic box sum 989 1261 1.95003 4.34754 38.57675 99IleHb 99IleHa 99IleCb 3.23504e+07 5.68235e+08 31.70550 49.01676 135.11318 1.00000 None parabolic box sum 990 1263 1.95085 1.43233 38.58990 99IleHb 99IleHg1b 99IleCb 2.52978e+07 4.29302e+08 29.99604 48.42867 130.43413 1.00000 None parabolic box sum 991 1264 1.94684 1.21229 38.59698 99IleHb 99IleHg1a 99IleCb 1.74266e+07 3.29212e+08 38.37168 50.25942 150.36919 1.00000 None None box sum 992 1265 2.35753 2.06973 40.86069 81AspHbb 81AspHba 81AspCb 4.33764e+07 8.27705e+08 39.33430 54.94895 139.36711 1.00000 None parabolic box sum 993 1266 2.35690 4.08856 40.85456 81AspHbb 81AspHa 81AspCb 1.37035e+07 2.62499e+08 38.57195 58.45316 141.12170 1.00000 None parabolic box sum 994 1267 2.06517 4.09459 40.94213 81AspHba 81AspHa 81AspCb 2.09269e+07 4.14094e+08 40.21823 57.81730 153.03999 1.00000 None parabolic box sum 995 1268 2.06644 2.36096 40.85941 81AspHba 81AspHbb 81AspCb 4.51198e+07 8.49691e+08 36.15439 57.83641 137.80378 1.00000 None parabolic box sum 996 1270 2.35665 6.69809 40.85756 81AspHbb 82HisHd2 81AspCb 7.80091e+06 1.46955e+08 40.55738 49.93173 138.76684 1.00000 None parabolic box sum 997 1271 2.06754 6.69891 40.86244 81AspHba 82HisHd2 81AspCb 7.07847e+06 1.27550e+08 35.57444 49.69861 137.98203 1.00000 None parabolic box sum 998 1272 2.35851 7.68869 40.86366 81AspHbb 82HisH 81AspCb 7.26604e+06 1.40297e+08 43.77127 51.87067 137.06975 1.00000 None parabolic box sum 999 1273 2.06452 7.68294 40.91804 81AspHba 82HisH 81AspCb 7.48693e+06 1.43706e+08 43.18833 57.09265 156.04825 1.00000 None parabolic box sum 1000 1274 2.35820 8.02827 40.87008 81AspHbb 81AspH 81AspCb 1.06896e+07 1.99159e+08 41.62252 48.27488 135.98685 1.00000 None parabolic box sum 1001 1275 2.06790 8.02520 40.89029 81AspHba 81AspH 81AspCb 1.01572e+07 1.95153e+08 37.51457 51.89088 145.33015 1.00000 None parabolic box sum 1002 1276 2.06621 8.99165 41.48486 57LeuHbb 58ThrH 57LeuCb 1.59719e+07 2.75865e+08 31.82113 51.53015 126.28651 1.00000 None parabolic box sum 1003 1277 1.74852 8.99067 41.48530 57LeuHba 58ThrH 57LeuCb 1.10466e+07 1.89096e+08 32.05359 50.11021 125.93401 1.00000 None parabolic box sum 1004 1278 2.07374 7.79409 41.61501 26LeuHbb 26LeuH 26LeuCb 2.31988e+07 4.22196e+08 38.43963 47.71627 133.21026 1.00000 None parabolic box sum 1005 1279 1.72774 7.79428 41.63098 26LeuHba 26LeuH 26LeuCb 2.52410e+07 4.45513e+08 34.04200 47.62290 133.67180 1.00000 None parabolic box sum 1006 1282 2.07258 7.96397 41.57964 26LeuHbb 27ValH 26LeuCb 1.27217e+07 2.46622e+08 38.86163 55.67211 138.93580 1.00000 None parabolic box sum 1007 1283 2.06517 4.47871 41.48948 57LeuHbb 57LeuHa 57LeuCb 1.59411e+07 2.81099e+08 33.98597 51.48376 128.45300 1.00000 None parabolic box sum 1008 1284 1.74761 4.47804 41.49582 57LeuHba 57LeuHa 57LeuCb 1.97538e+07 3.42420e+08 33.00726 51.66572 128.86217 1.00000 None parabolic box sum 1009 1286 2.07272 4.34420 41.60812 26LeuHbb 26LeuHa 26LeuCb 1.17387e+07 2.14566e+08 38.49387 52.12241 132.28423 1.00000 None parabolic box sum 1010 1287 1.72828 4.34526 41.64649 26LeuHba 26LeuHa 26LeuCb 2.01784e+07 3.76967e+08 39.06131 54.26531 139.15214 1.00000 None parabolic box sum 1011 1288 1.72841 3.80515 41.63001 26LeuHba 23ThrHb 26LeuCb 8.95280e+06 1.67459e+08 35.02786 63.72800 139.08292 1.00000 None parabolic box sum 1012 1289 2.07379 3.80354 41.60058 26LeuHbb 23ThrHb 26LeuCb 1.09548e+07 2.08074e+08 39.70802 60.23016 136.49441 1.00000 None parabolic box sum 1013 1290 1.74442 4.12715 41.57790 57LeuHba 58ThrHa 57LeuCb 3.83214e+06 7.54738e+07 40.94064 68.19655 156.70596 1.00000 None parabolic box sum 1014 1291 2.04239 4.13034 41.35195 66LeuHbb 66LeuHa 66LeuCb 1.20777e+07 2.54235e+08 57.35278 59.88933 157.00920 1.00000 None parabolic box sum 1015 1292 1.91302 7.20198 41.34671 60LeuHbb 60LeuH 60LeuCb 3.31741e+07 6.53545e+08 50.33195 48.20551 133.06299 1.00000 None parabolic box sum 1016 1293 1.91609 7.66797 41.28857 60LeuHbb 61GluH 60LeuCb 1.78867e+07 3.63991e+08 106.19342 51.23670 139.40044 1.00000 None parabolic box sum 1017 1295 1.91242 4.48070 41.36169 60LeuHbb 57LeuHa 60LeuCb 5.79557e+06 1.17743e+08 59.31497 50.52499 134.92299 1.00000 None parabolic box sum 1018 1296 1.91606 4.16365 41.35247 60LeuHbb 60LeuHa 60LeuCb 2.54617e+07 4.95629e+08 55.08423 53.75885 135.31735 1.00000 None parabolic box sum 1019 1298 2.06700 1.74524 41.51108 57LeuHbb 57LeuHba 57LeuCb 2.06091e+08 3.64149e+09 32.00233 53.20421 131.74712 1.00000 None parabolic box sum 1020 1299 1.74413 2.07122 41.52869 57LeuHba 57LeuHbb 57LeuCb 1.48484e+08 2.68685e+09 33.99134 52.23509 135.73386 1.00000 None parabolic box sum 1021 1300 2.06647 1.24755 41.51573 57LeuHbb 58ThrHg2* 57LeuCb 1.02693e+07 1.89109e+08 40.39466 50.53017 135.38831 1.00000 None parabolic box sum 1022 1301 1.74263 1.24680 41.50670 57LeuHba 58ThrHg2* 57LeuCb 7.37785e+06 1.38755e+08 39.07621 43.46003 155.43490 1.00000 None parabolic box sum 1023 1302 2.06962 0.94960 41.47368 26LeuHbb 26LeuHdb* 26LeuCb 2.61841e+07 5.28545e+08 37.57775 130.82284 133.98018 1.00000 None None box sum 1024 1303 1.73981 0.94405 41.58034 26LeuHba 26LeuHdb* 26LeuCb 3.53389e+07 7.14114e+08 41.77392 84.22411 145.54777 1.00000 None parabolic box sum 1025 1305 2.06594 8.36479 41.49868 57LeuHbb 57LeuH 57LeuCb 2.56636e+07 4.48213e+08 33.72729 48.53996 128.09875 1.00000 None parabolic box sum 1026 1306 2.03215 8.77761 41.44055 66LeuHbb 66LeuH 66LeuCb 1.31961e+07 2.44372e+08 40.25221 53.12508 133.24850 1.00000 None parabolic box sum 1027 1307 1.97415 9.29966 41.83661 28LeuHbb 29AspH 28LeuCb 1.05094e+07 1.88969e+08 37.63795 47.87379 132.76043 1.00000 None parabolic box sum 1028 1308 1.97471 8.37795 41.83463 28LeuHbb 28LeuH 28LeuCb 1.95208e+07 3.58676e+08 39.29675 48.66130 137.20463 1.00000 None parabolic box sum 1029 1309 1.58219 9.30082 41.85197 28LeuHba 29AspH 28LeuCb 7.61887e+06 1.38782e+08 37.67252 48.15827 132.95085 1.00000 None parabolic box sum 1030 1310 1.57896 8.37826 41.79090 28LeuHba 28LeuH 28LeuCb 1.89437e+07 3.53554e+08 36.34274 68.17535 133.31053 1.00000 None parabolic box sum 1031 1311 1.97420 3.99160 41.82821 28LeuHbb 28LeuHa 28LeuCb 2.35808e+07 4.30045e+08 36.15618 51.91577 132.79746 1.00000 None parabolic box sum 1032 1312 1.58136 3.99191 41.85963 28LeuHba 28LeuHa 28LeuCb 2.33300e+07 4.28939e+08 35.70318 52.54765 135.67575 1.00000 None parabolic box sum 1033 1313 1.58186 1.97761 41.83941 28LeuHba 28LeuHbb 28LeuCb 5.16688e+07 9.66002e+08 36.07988 58.72750 133.84741 1.00000 None parabolic box sum 1034 1314 1.97442 1.58445 41.83108 28LeuHbb 28LeuHba 28LeuCb 5.23931e+07 9.74211e+08 36.61275 58.26404 133.40521 1.00000 None parabolic box sum 1035 1315 1.97431 1.81336 41.79515 28LeuHbb 28LeuHg 28LeuCb 2.62839e+07 5.54217e+08 96.75920 174.46204 149.94354 1.00000 None parabolic box sum 1036 1316 1.57727 1.81206 41.84974 28LeuHba 28LeuHg 28LeuCb 3.37192e+07 6.55230e+08 89.99348 216.51099 149.55552 1.00000 None parabolic box sum 1037 1318 1.97583 0.89473 41.82152 28LeuHbb 28LeuHdb* 28LeuCb 2.43529e+07 4.56126e+08 44.47639 55.00748 145.34655 1.00000 None parabolic box sum 1038 1322 0.89117 8.37616 25.17306 28LeuHdb* 28LeuH 28LeuCdb 1.00527e+07 1.68454e+08 24.61374 53.23587 146.05828 1.00000 None parabolic box sum 1039 1323 0.88304 7.67493 25.26047 28LeuHdb* 25LysH 28LeuCdb 2.87977e+06 5.43208e+07 34.66964 53.34785 206.58087 1.00000 None parabolic box sum 1040 1324 0.88779 9.30070 25.18910 28LeuHdb* 29AspH 28LeuCdb 2.75055e+06 4.38642e+07 47.53590 51.19012 129.57512 1.00000 None parabolic box sum 1041 1325 0.88986 3.99127 25.17475 28LeuHdb* (28Leu/25Lys)Ha 28LeuCdb 2.94937e+07 5.01815e+08 24.57917 57.18622 144.68755 1.00000 None parabolic box sum 1042 1326 0.89398 3.06352 25.16480 28LeuHdb* 24ArgHdb 28LeuCdb 2.68852e+06 4.41968e+07 22.13061 68.64289 124.12184 1.00000 None parabolic box sum 1043 1327 0.89023 1.97741 25.18036 28LeuHdb* 28LeuHbb 28LeuCdb 3.27639e+07 6.25958e+08 37.80425 60.03665 234.83142 1.00000 None parabolic box sum 1044 1328 0.88986 1.80436 25.25625 28LeuHdb* 28LeuHg 28LeuCdb 4.42794e+07 8.35421e+08 29.16217 57.58836 273.55086 1.00000 None parabolic box sum 1045 1329 0.89731 1.59362 25.20754 28LeuHdb* 28LeuHba 28LeuCdb 3.13304e+07 7.11126e+08 67.54100 68.08348 239.36222 1.00000 None parabolic box sum 1046 1330 0.79030 7.65039 23.41035 93LeuHda* 93LeuH 93LeuCda 1.61234e+07 3.08829e+08 29.97935 64.12018 164.24797 1.00000 None parabolic box sum 1047 1331 0.78009 8.90347 23.32874 66LeuHda* (67Gln/31Ala)H 66LeuCda 8.49866e+06 1.26222e+08 24.11246 44.90217 124.33765 1.00000 None parabolic box sum 1048 1332 0.78044 8.77559 23.31358 66LeuHda* (64Asp/66Leu)H 66LeuCda 1.41075e+07 2.20434e+08 24.34015 52.22185 124.42711 1.00000 None parabolic box sum 1049 1333 1.98509 8.82114 32.14203 50LysHbb 50LysH 50LysCb 1.63525e+07 2.88949e+08 33.85961 48.15275 133.99711 1.00000 None parabolic box sum 1050 1334 1.87439 8.82147 32.12648 50LysHba 50LysH 50LysCb 1.51133e+07 2.67840e+08 33.66768 48.74342 130.10044 1.00000 None parabolic box sum 1051 1335 1.87440 8.08940 32.11904 50LysHba 51AspH 50LysCb 8.92106e+06 1.61752e+08 36.47745 50.37249 131.80939 1.00000 None parabolic box sum 1052 1336 1.98259 8.21424 32.19916 50LysHbb 52LeuH 50LysCb 2.09413e+06 3.55419e+07 30.53784 155.52094 128.18565 1.00000 None parabolic box sum 1053 1337 1.87340 8.21689 32.11828 50LysHba 52LeuH 50LysCb 1.78134e+06 3.09281e+07 32.11498 141.96586 131.52995 1.00000 None parabolic box sum 1054 1339 1.98186 7.67405 32.17023 25LysHbb 25LysH 25LysCb 1.96072e+07 3.98262e+08 45.19820 102.31514 143.32786 1.00000 None parabolic box sum 1055 1340 1.88377 7.67154 32.13753 25LysHba 25LysH 25LysCb 2.07701e+07 3.83681e+08 38.54334 49.98508 136.74339 1.00000 None parabolic box sum 1056 1341 1.98547 4.31471 32.13940 50LysHbb 50LysHa 50LysCb 2.01304e+07 3.74306e+08 35.01415 53.88547 138.77666 1.00000 None parabolic box sum 1057 1342 1.87476 4.31530 32.11626 50LysHba 50LysHa 50LysCb 1.76792e+07 3.19371e+08 33.99491 52.61016 130.96247 1.00000 None parabolic box sum 1058 1343 1.98126 3.98964 32.13619 25LysHbb 25LysHa 25LysCb 1.66130e+07 3.23835e+08 101.01199 62.03820 136.02403 1.00000 None parabolic box sum 1059 1344 1.88452 3.98797 32.12086 25LysHba 25LysHa 25LysCb 1.86516e+07 3.59762e+08 97.38088 54.67422 137.49329 1.00000 None parabolic box sum 1060 1345 1.98274 3.06733 32.14540 50LysHbb 50LysHea 50LysCb 4.11838e+06 7.68331e+07 38.30791 69.60763 131.41902 1.00000 None parabolic box sum 1061 1346 1.87928 3.06562 32.11987 50LysHba 50LysHea 50LysCb 4.23287e+06 7.85638e+07 35.32410 55.87906 137.66270 1.00000 None parabolic box sum 1062 1347 1.98223 1.62260 32.30822 50LysHbb 50LysHgb 50LysCb 4.46784e+07 8.71006e+08 37.82451 67.13705 165.14038 1.00000 None parabolic box sum 1063 1348 1.88324 1.62377 32.34861 50LysHba 50LysHgb 50LysCb 3.81275e+07 7.88257e+08 44.96992 128.50594 170.95743 1.00000 None parabolic box sum 1064 1349 1.98227 1.49814 32.20714 25LysHbb 25LysHga 25LysCb 3.89367e+07 7.43891e+08 39.79385 129.69644 144.54308 1.00000 None parabolic box sum 1065 1350 1.88372 1.49769 32.20505 25LysHba 25LysHga 25LysCb 3.72083e+07 7.24616e+08 40.98058 129.34088 148.18479 1.00000 None parabolic box sum 1066 1353 2.28978 5.09610 32.62743 83ProHbb 83ProHa 83ProCb 8.10852e+06 1.46701e+08 35.12621 48.65503 143.60216 1.00000 None parabolic box sum 1067 1363 2.26283 6.62397 32.97738 95GlnHgb 95GlnHe2b 95GlnCg 1.37376e+07 2.34864e+08 31.21138 46.36361 134.60207 1.00000 None parabolic box sum 1068 1364 1.96511 6.62412 32.97770 95GlnHga 95GlnHe2b 95GlnCg 9.87597e+06 1.69613e+08 30.56884 45.61846 137.22201 1.00000 None parabolic box sum 1069 1365 2.26260 6.41063 32.98304 95GlnHgb 95GlnHe2a 95GlnCg 4.55492e+06 7.64409e+07 31.00514 46.47649 131.79881 1.00000 None parabolic box sum 1070 1366 1.96435 6.40932 32.96960 95GlnHga 95GlnHe2a 95GlnCg 3.22505e+06 5.41264e+07 29.59371 44.87469 136.87230 1.00000 None parabolic box sum 1071 1367 2.26262 7.47356 32.98129 95GlnHgb 95GlnH 83ProCb 1.73832e+07 3.02916e+08 31.72278 49.04463 136.07118 1.00000 None parabolic box sum 1072 1368 1.96544 7.47294 32.97177 95GlnHga 95GlnH 95GlnCg 1.27702e+07 2.16545e+08 29.73616 47.49300 136.63624 1.00000 None parabolic box sum 1073 1369 2.27020 7.31392 32.95289 83ProHbb 84ThrH 83ProCb 3.41006e+06 5.71549e+07 30.11227 47.84039 136.93653 1.00000 None parabolic box sum 1074 1370 1.96748 7.31795 32.91768 83ProHba 84ThrH 83ProCb 3.37559e+06 5.81107e+07 30.54798 46.15498 150.73567 1.00000 None parabolic box sum 1075 1373 2.26370 3.59974 32.98594 95GlnHgb 92LeuHa 95GlnCg 8.09182e+06 1.42897e+08 31.07250 53.24045 137.62885 1.00000 None parabolic box sum 1076 1374 1.96842 3.59850 33.02683 95GlnHga 92LeuHa 95GlnCg 6.25914e+06 1.11016e+08 30.42579 49.84214 152.40261 1.00000 None parabolic box sum 1077 1375 2.26273 1.95974 32.95730 95GlnHgb 95GlnHga 95GlnCg 1.10062e+08 1.94634e+09 29.85120 57.13963 144.46011 1.00000 None parabolic box sum 1078 1376 1.96530 2.26788 32.97861 95GlnHga 95GlnHgb 95GlnCg 1.18882e+08 2.07658e+09 28.92554 52.55003 140.95184 1.00000 None parabolic box sum 1079 1377 2.26437 0.81099 33.03541 95GlnHgb 74LeuHda* 95GlnCg 1.04845e+07 1.85929e+08 29.60920 93.14968 119.78282 1.00000 None parabolic box sum 1080 1379 2.36926 7.68560 30.39957 82HisHba 82HisH 82HisCb 7.13277e+06 1.38229e+08 38.20658 81.80598 141.10100 1.00000 None parabolic box sum 1081 1380 2.36732 6.69780 30.39642 82HisHba 82HisHd2 82HisCb 4.17588e+06 7.41602e+07 32.65142 48.16887 133.45123 1.00000 None parabolic box sum 1082 1381 2.36879 4.96965 30.37140 82HisHba 82HisHa 82HisCb 2.87593e+06 5.44901e+07 35.82120 51.50247 150.48148 1.00000 None parabolic box sum 1083 1382 2.36747 3.42004 30.42237 82HisHba 88ValHa 82HisCb 9.71862e+06 1.82238e+08 35.87902 51.77840 154.50993 1.00000 None parabolic box sum 1084 1383 2.36741 3.12223 30.40304 82HisHba 82HisHbb 82HisCb 3.94675e+07 7.38671e+08 35.89451 58.04067 137.66255 1.00000 None parabolic box sum 1085 1384 1.90937 3.73981 30.33742 24ArgHbb 24ArgHa 24ArgCb 7.86944e+06 1.52311e+08 46.85938 54.44846 140.55452 1.00000 None parabolic box sum 1086 1385 1.80079 3.74220 30.30771 24ArgHba 24ArgHa 24ArgCb 7.24816e+06 1.42288e+08 47.69385 55.68396 145.40873 1.00000 None parabolic box sum 1087 1386 3.29005 4.61728 29.80771 46HisHbb 46HisHa 46HisCb 8.83489e+06 1.58541e+08 33.94663 50.91479 141.33132 1.00000 None parabolic box sum 1088 1387 2.95773 4.61553 29.83155 46HisHba 46HisHa 46HisCb 6.89934e+06 1.30939e+08 35.43556 54.25376 145.56833 1.00000 None parabolic box sum 1089 1388 2.95605 3.29249 29.81326 46HisHba 46HisHbb 46HisCb 5.37604e+07 1.00770e+09 37.46450 52.45527 140.32088 1.00000 None parabolic box sum 1090 1389 3.28955 2.95943 29.81381 46HisHbb 46HisHba 46HisCb 5.87422e+07 1.07723e+09 33.31244 55.60950 141.32920 1.00000 None parabolic box sum 1091 1390 3.28889 1.00158 29.84077 46HisHbb 84ThrHg2* 46HisCb 2.82798e+06 5.02731e+07 32.60732 53.37901 135.40773 1.00000 None parabolic box sum 1092 1391 2.95482 1.00189 29.80796 46HisHba 84ThrHg2* 46HisCb 1.88781e+06 3.64033e+07 37.93061 64.52272 134.06179 1.00000 None parabolic box sum 1093 1392 3.29030 6.98517 29.82192 46HisHbb 46HisHd2 46HisCb 4.49290e+06 7.90687e+07 32.98402 47.02695 133.24298 1.00000 None parabolic box sum 1094 1393 2.95629 6.98354 29.82079 46HisHba 46HisHd2 46HisCb 5.21371e+06 9.71810e+07 39.09290 47.95287 139.17140 1.00000 None parabolic box sum 1095 1394 3.29094 7.51853 29.78013 46HisHbb 47GluH 46HisCb 1.95975e+06 3.27566e+07 28.88322 51.42025 135.06951 1.00000 None parabolic box sum 1096 1395 2.95540 7.51835 29.78081 46HisHba 47GluH 46HisCb 2.06118e+06 3.89814e+07 37.25708 51.34839 139.34097 1.00000 None parabolic box sum 1097 1396 3.28916 8.52607 29.82172 46HisHbb 46HisH 46HisCb 3.59757e+06 6.33024e+07 33.98418 46.19221 141.78410 1.00000 None parabolic box sum 1098 1397 2.95820 8.52181 29.84822 46HisHba 46HisH 46HisCb 4.27515e+06 7.89030e+07 37.80782 51.35177 146.67216 1.00000 None parabolic box sum 1099 1398 3.12003 6.69684 30.39017 82HisHbb 82HisHd2 82HisCb 5.07171e+06 9.53647e+07 40.19737 50.02948 139.69400 1.00000 None parabolic box sum 1100 1399 3.12117 4.97227 30.44013 82HisHbb 82HisHa 82HisCb 2.26538e+06 4.04555e+07 36.81779 50.72208 133.38111 1.00000 None parabolic box sum 1101 1400 3.12092 7.68907 30.40840 82HisHbb 82HisH 82HisCb 9.94401e+06 1.85313e+08 38.07664 49.31398 142.03255 1.00000 None parabolic box sum 1102 1401 3.12125 8.55734 30.37325 82HisHbb (86His/88Val)H 82HisCb 2.71140e+06 5.07040e+07 35.96365 45.75463 140.06003 1.00000 None parabolic box sum 1103 1402 2.37223 8.55827 30.52137 82HisHba (88Val/89Ala)H 82HisCb 3.69597e+06 7.53395e+07 29.51503 51.45390 326.99072 1.00000 None parabolic box sum 1104 1404 3.12125 3.42122 30.39840 82HisHbb 83ProHda 82HisCb 7.49455e+06 1.41264e+08 37.41145 50.96774 141.95215 1.00000 None parabolic box sum 1105 1406 3.12064 2.37072 30.40037 82HisHbb 82HisHba 82HisCb 3.79759e+07 7.31988e+08 39.82246 56.85495 140.47261 1.00000 None parabolic box sum 1106 1407 3.11604 3.83806 30.18496 82HisHbb 79IleHa 82HisCb 2.31537e+06 4.17375e+07 41.94260 45.81873 154.19528 1.00000 None parabolic box sum 1107 1409 3.12203 1.74486 30.38832 82HisHbb 87AlaHb* 82HisCb 1.08289e+07 1.99820e+08 42.47665 49.34006 142.65459 1.00000 None parabolic box sum 1108 1410 2.37360 1.74490 30.48347 82HisHba 87AlaHb* 82HisCb 2.05375e+07 3.98634e+08 42.81819 53.52832 142.78667 1.00000 None parabolic box sum 1109 1411 3.12087 1.32924 30.40584 82HisHbb 88ValHgb* 82HisCb 1.72961e+07 3.28865e+08 40.19916 52.50265 140.44239 1.00000 None parabolic box sum 1110 1412 2.36836 1.32929 30.40979 82HisHba 88ValHgb* 82HisCb 1.58464e+07 3.03449e+08 35.23648 52.71806 279.47596 1.00000 None parabolic box sum 1111 1413 3.12457 1.04860 30.39629 82HisHbb 78LeuHdb* 82HisCb 4.33623e+06 8.28104e+07 39.80637 53.80703 142.26559 1.00000 None parabolic box sum 1112 1414 3.11304 0.90432 30.47213 82HisHbb 88ValHga* 82HisCb 2.53407e+06 4.54542e+07 41.36801 50.45133 139.85208 1.00000 None parabolic box sum 1113 1416 2.36878 1.05200 30.43531 82HisHba 78LeuHdb* 82HisCb 3.61128e+06 6.95296e+07 33.46443 52.84189 305.48892 1.00000 None parabolic box sum 1114 1417 2.40123 9.16126 30.68495 18GluHbb 19GlnH 18GluCb 5.20307e+06 9.65856e+07 42.81759 48.43534 127.68058 1.00000 None parabolic box sum 1115 1418 2.08192 9.16129 30.67686 18GluHba 19GlnH 18GluCb 4.95182e+06 8.97118e+07 37.13489 49.44881 131.72294 1.00000 None parabolic box sum 1116 1421 2.39707 8.87489 30.69844 18GluHbb 15ThrH 18GluCb 7.15310e+06 1.30909e+08 41.30244 47.82287 127.57600 1.00000 None parabolic box sum 1117 1422 2.39731 7.60854 30.68101 18GluHbb 18GluH 18GluCb 9.55688e+06 1.87134e+08 43.83564 60.74687 129.76735 1.00000 None parabolic box sum 1118 1423 2.39659 4.18505 30.68002 18GluHbb 18GluHa 18GluCb 1.02014e+07 1.96275e+08 42.99760 53.77717 134.05030 1.00000 None parabolic box sum 1119 1424 2.07733 2.38588 30.72187 18GluHba 18GluHbb 18GluCb 5.47013e+07 1.09390e+09 39.40821 104.03180 140.57508 1.00000 None parabolic box sum 1120 1425 2.39460 2.08200 30.70782 18GluHbb 18GluHba 18GluCb 3.44832e+07 6.61300e+08 40.19082 55.41400 133.57032 1.00000 None parabolic box sum 1121 1427 2.39195 0.87851 30.70599 18GluHbb 14LeuHda* 18GluCb 1.09625e+07 2.24624e+08 47.45007 60.66136 151.69594 1.00000 None parabolic box sum 1122 1429 1.90947 8.57241 30.34663 24ArgHbb 24ArgH 24ArgCb 1.06595e+07 2.03002e+08 47.40536 48.86894 139.36787 1.00000 None parabolic box sum 1123 1430 1.80144 8.57299 30.32225 24ArgHba 24ArgH 24ArgCb 8.90715e+06 1.72795e+08 110.40211 48.84754 139.67073 1.00000 None parabolic box sum 1124 1431 1.91929 7.68669 30.10883 24ArgHbb 25LysH 24ArgCb 7.66257e+06 1.60100e+08 107.56195 54.42945 173.82945 1.00000 None parabolic box sum 1125 1432 1.80911 7.67869 30.17954 24ArgHba 25LysH 24ArgCb 5.33497e+06 1.13059e+08 119.67480 51.76178 174.74105 1.00000 None parabolic box sum 1126 1433 1.80535 4.12526 30.25954 24ArgHba 21AlaHa 24ArgCb 4.46767e+06 9.30088e+07 123.87812 58.89034 152.59031 1.00000 None parabolic box sum 1127 1435 1.80952 3.05565 30.47236 24ArgHba 24ArgHdb 24ArgCb 3.62482e+06 6.42116e+07 108.62947 109.16768 82.87796 1.00000 None parabolic box sum 1128 1436 1.90926 3.03433 30.33648 24ArgHbb 24ArgHda 24ArgCb 5.32747e+06 1.09203e+08 43.68842 86.69191 152.37329 1.00000 None parabolic box sum 1129 1438 2.32434 7.02385 31.44666 88ValHb 49PheHe* 88ValCb 3.83420e+06 7.10406e+07 39.38198 55.61408 133.39199 1.00000 None parabolic box sum 1130 1439 2.32358 6.58990 31.48446 88ValHb 49PheHz 88ValCb 5.90458e+06 1.10928e+08 39.96134 53.01628 133.03170 1.00000 None parabolic box sum 1131 1440 2.32441 8.55440 31.48349 88ValHb 88ValH 88ValCb 4.19551e+07 7.64081e+08 37.81557 47.81979 133.66735 1.00000 None parabolic box sum 1132 1441 2.32431 4.09493 31.47055 88ValHb 85ProHa 88ValCb 1.21703e+07 2.29815e+08 65.88697 55.64295 135.97929 1.00000 None parabolic box sum 1133 1442 2.31828 3.42601 31.46952 88ValHb 88ValHa 88ValCb 1.03256e+07 2.11549e+08 60.55176 54.04234 140.05429 1.00000 None parabolic box sum 1134 1443 2.32431 1.32715 31.48035 88ValHb 88ValHgb* 88ValCb 2.86927e+07 5.43623e+08 38.20956 55.51394 138.04218 1.00000 None parabolic box sum 1135 1444 2.32224 0.90468 31.47925 88ValHb 88ValHga* 88ValCb 3.53305e+07 6.69284e+08 72.56866 51.58848 135.25841 1.00000 None parabolic box sum 1136 1445 2.25244 8.01158 31.53175 34ValHb 34ValH 34ValCb 3.43080e+07 6.57616e+08 39.97266 61.36531 132.49460 1.00000 None parabolic box sum 1137 1446 2.24898 7.65170 31.52313 34ValHb 35LeuH 34ValCb 1.47515e+07 2.68537e+08 36.75580 51.87575 131.56244 1.00000 None parabolic box sum 1138 1447 2.24873 7.35574 31.49739 34ValHb 54Phe(Hd*/Hz) 34ValCb 7.24469e+06 1.31069e+08 36.99541 53.45645 130.62424 1.00000 None parabolic box sum 1139 1448 2.24875 7.22057 31.54233 34ValHb 54PheHe* 34ValCb 6.90905e+06 1.24137e+08 33.72431 55.24379 134.58711 1.00000 None parabolic box sum 1140 1449 2.25469 3.71887 31.64397 34ValHb 34ValHa 34ValCb 2.11852e+07 4.05326e+08 40.44235 53.56017 162.24886 1.00000 None parabolic box sum 1141 1450 2.24952 4.18183 31.51262 34ValHb 31AlaHa 34ValCb 1.09737e+07 1.96172e+08 36.61990 122.96554 114.68484 1.00000 None parabolic box sum 1142 1451 2.24874 1.01071 31.52536 34ValHb 34ValHgb* 34ValCb 3.96548e+07 7.46727e+08 36.49294 123.33145 132.25461 1.00000 None parabolic box sum 1143 1452 2.25045 0.85869 31.52387 34ValHb 34ValHga* 34ValCb 4.46534e+07 8.27364e+08 42.18221 53.21496 130.37730 1.00000 None parabolic box sum 1144 1453 1.94385 7.99512 29.79675 20ArgHbb 20ArgH 20ArgCb 1.22032e+07 2.32312e+08 40.88759 50.01524 142.75403 1.00000 None parabolic box sum 1145 1454 1.84011 7.99400 29.74845 20ArgHba 20ArgH 20ArgCb 1.15814e+07 2.15913e+08 39.23535 49.80123 142.47263 1.00000 None parabolic box sum 1146 1455 1.94657 7.70650 29.61682 20ArgHbb 21AlaH 20ArgCb 8.07810e+06 1.69753e+08 57.91306 56.28229 175.17962 1.00000 None parabolic box sum 1147 1456 1.84230 7.70431 29.76827 20ArgHba 21AlaH 20ArgCb 5.97521e+06 1.18336e+08 245.20457 50.95938 162.87392 1.00000 None None box sum 1148 1457 1.93932 3.90834 29.76827 20ArgHbb 20ArgHa 20ArgCb 1.37177e+07 2.92517e+08 53.18344 63.46879 164.37099 1.00000 None parabolic box sum 1149 1458 1.84122 3.90463 29.71396 20ArgHba 20ArgHa 20ArgCb 1.05824e+07 2.05916e+08 44.39771 63.84545 138.31240 1.00000 None parabolic box sum 1150 1459 1.94192 3.18688 29.73642 20ArgHbb 20ArgHda 20ArgCb 8.16333e+06 1.55894e+08 38.81872 58.80952 141.49302 1.00000 None parabolic box sum 1151 1460 1.84098 3.18882 29.71289 20ArgHba 20ArgHda 20ArgCb 8.80091e+06 1.66420e+08 38.50996 62.00794 143.19955 1.00000 None parabolic box sum 1152 1462 2.86552 9.16150 34.93098 19GlnHgb 19GlnH 19GlnCg 1.30507e+07 2.45250e+08 42.11187 48.70759 138.39960 1.00000 None parabolic box sum 1153 1463 2.25315 9.16091 34.92506 19GlnHga 19GlnH 19GlnCg 8.34282e+06 1.51121e+08 38.08498 47.52769 134.59784 1.00000 None parabolic box sum 1154 1464 2.86643 7.15330 34.92750 19GlnHgb 19GlnHe2b 19GlnCg 7.41232e+06 1.38537e+08 37.84359 49.69522 140.21947 1.00000 None parabolic box sum 1155 1465 2.25238 7.15485 34.93860 19GlnHga 19GlnHe2b 19GlnCg 7.58494e+06 1.39389e+08 40.03704 49.52879 136.79704 1.00000 None parabolic box sum 1156 1466 2.86823 6.81239 34.92814 19GlnHgb 19GlnHe2a 19GlnCg 4.69142e+06 8.65609e+07 40.55560 47.92201 135.74686 1.00000 None parabolic box sum 1157 1467 2.25353 6.81506 34.92841 19GlnHga 19GlnHe2a 19GlnCg 4.84737e+06 9.00279e+07 40.33566 49.34604 142.12005 1.00000 None parabolic box sum 1158 1468 2.86823 7.99393 34.94369 19GlnHgb 20ArgH 19GlnCg 2.60972e+06 4.91263e+07 40.17591 47.91047 141.32285 1.00000 None parabolic box sum 1159 1469 2.23820 7.98891 34.93306 19GlnHga 20ArgH 19GlnCg 1.91024e+06 3.52197e+07 44.95978 48.08725 121.08433 1.00000 None parabolic box sum 1160 1470 2.24899 4.34573 34.83971 19GlnHga 11LeuHa 19GlnCg 2.53799e+06 4.75232e+07 36.81898 55.42555 147.12388 1.00000 None parabolic box sum 1161 1471 2.25628 3.85018 34.96632 19GlnHga 19GlnHa 19GlnCg 8.27001e+06 1.62799e+08 40.22181 52.56477 279.87041 1.00000 None parabolic box sum 1162 1472 2.86627 3.84825 34.94081 19GlnHgb 19GlnHa 19GlnCg 8.86395e+06 1.67942e+08 39.80458 53.63582 138.06969 1.00000 None parabolic box sum 1163 1473 2.86166 4.36429 35.15790 19GlnHgb 11LeuHa 19GlnCg 2.29340e+06 4.79958e+07 34.99508 72.39715 199.08828 1.00000 None parabolic box sum 1164 1474 2.25338 2.86941 34.91869 19GlnHga 19GlnHgb 19GlnCg 2.04042e+07 3.96068e+08 41.50629 60.18158 134.58106 1.00000 None parabolic box sum 1165 1475 2.86616 2.25782 34.99784 19GlnHgb 19GlnHga 19GlnCg 2.39070e+07 4.78731e+08 40.42506 60.78479 164.92805 1.00000 None parabolic box sum 1166 1476 2.25315 1.90302 34.91232 19GlnHga 19GlnHba 19GlnCg 1.40779e+07 2.75795e+08 40.49480 54.62326 137.26947 1.00000 None parabolic box sum 1167 1477 2.25374 1.76509 34.95103 19GlnHga 11LeuHbb 19GlnCg 6.78314e+06 1.33283e+08 41.10992 147.74626 136.26643 1.00000 None parabolic box sum 1168 1478 2.25324 1.50510 34.93567 19GlnHga 11LeuHba 19GlnCg 5.37645e+06 1.08843e+08 43.78557 64.12297 160.01550 1.00000 None parabolic box sum 1169 1479 2.86638 1.90740 34.92944 19GlnHgb 14LeuHbb 19GlnCg 1.59933e+07 3.09379e+08 40.70997 60.68485 136.17183 1.00000 None parabolic box sum 1170 1480 2.86852 1.76304 34.93936 19GlnHgb (14Leu/11Leu)Hb* 19GlnCg 7.25752e+06 1.40533e+08 40.03108 176.06862 137.64245 1.00000 None parabolic box sum 1171 1481 2.25082 0.89326 34.92363 19GlnHga 14LeuHdb* 19GlnCg 6.03825e+06 1.21531e+08 47.48642 136.80281 136.98731 1.00000 None parabolic box sum 1172 1482 2.25259 0.77612 34.92414 19GlnHga 11LeuHdb* 19GlnCg 1.25365e+07 2.39789e+08 40.81607 59.46887 138.24620 1.00000 None parabolic box sum 1173 1483 2.86498 0.79458 35.20837 19GlnHgb 11LeuHdb* 19GlnCg 1.15733e+07 2.43664e+08 39.79087 104.54384 193.52694 1.00000 None parabolic box sum 1174 1484 2.85699 8.28951 35.56863 67GlnHgb 68ThrH 67GlnCg 1.61776e+06 2.91317e+07 36.64672 43.03230 131.34089 1.00000 None parabolic box sum 1175 1485 2.63296 8.28908 35.57962 67GlnHga 68ThrH 67GlnCg 2.17079e+06 3.92517e+07 39.53516 46.06091 148.22469 1.00000 None parabolic box sum 1176 1486 2.62800 7.43589 35.64621 67GlnHga 67GlnHe2b 67GlnCg 3.92528e+06 7.41750e+07 41.91875 49.28333 133.18087 1.00000 None parabolic box sum 1177 1487 2.86170 7.43093 35.58677 67GlnHgb 67GlnHe2b 67GlnCg 4.12010e+06 7.75050e+07 39.53993 48.39961 143.44106 1.00000 None parabolic box sum 1178 1488 2.63280 6.89684 35.59967 67GlnHga 67GlnHe2a 67GlnCg 2.35332e+06 4.40449e+07 38.08081 52.23270 134.36314 1.00000 None parabolic box sum 1179 1489 2.85727 6.88603 35.57457 67GlnHgb 67GlnHe2a 67GlnCg 2.84081e+06 5.36406e+07 35.42721 53.61054 141.38300 1.00000 None parabolic box sum 1180 1490 2.63100 4.39575 35.70802 67GlnHga 64AspHa 67GlnCg 1.86893e+06 3.59327e+07 41.12363 198.53722 146.73896 1.00000 None parabolic box sum 1181 1491 2.63191 4.17127 35.63678 67GlnHga 67GlnHa 67GlnCg 6.85974e+06 1.29405e+08 45.84193 55.05088 133.14550 1.00000 None parabolic box sum 1182 1492 2.86075 4.17253 35.43554 67GlnHgb 67GlnHa 67GlnCg 7.39516e+06 1.46563e+08 37.20462 53.03738 188.98934 1.00000 None parabolic box sum 1183 1493 2.86002 2.62478 35.63412 67GlnHgb 67GlnHga 67GlnCg 3.26286e+07 6.44215e+08 39.52861 71.90064 137.55978 1.00000 None parabolic box sum 1184 1494 2.63121 2.86253 35.63244 67GlnHga 67GlnHgb 67GlnCg 2.81643e+07 5.36641e+08 40.64798 55.69272 139.40384 1.00000 None parabolic box sum 1185 1497 2.63195 2.28032 35.60731 67GlnHga 67GlnHba 67GlnCg 1.08074e+07 2.05044e+08 41.59272 54.58464 130.89899 1.00000 None parabolic box sum 1186 1498 2.63193 1.53108 35.62703 67GlnHga (74Leu/72Leu)Hbb 67GlnCg 7.37195e+06 1.43861e+08 45.44854 60.01475 138.33733 1.00000 None parabolic box sum 1187 1499 2.86177 1.52789 35.49785 67GlnHgb 74LeuHbb 67GlnCg 8.62291e+06 1.76507e+08 39.63351 63.36726 183.29244 1.00000 None parabolic box sum 1188 1500 2.63172 0.92323 35.64282 67GlnHga 66LeuHba 67GlnCg 1.98827e+06 4.14872e+07 49.06118 144.31332 139.85994 1.00000 None parabolic box sum 1189 1501 2.62911 0.81625 35.62255 67GlnHga 74LeuHda* 67GlnCg 7.90680e+06 1.51751e+08 42.80269 55.91847 138.90754 1.00000 None parabolic box sum 1190 1502 2.10127 0.81506 35.86032 90GluHga 93LeuHda* 90GluCg 1.96703e+06 3.16275e+07 29.49774 44.39610 143.82190 1.00000 None parabolic box sum 1191 1503 2.10631 1.40595 35.85202 90GluHga 89AlaHb* 90GluCg 2.04690e+06 3.61995e+07 35.84325 51.07963 137.79766 1.00000 None parabolic box sum 1192 1504 2.11247 1.75801 35.77684 90GluHga 87AlaHb* 90GluCg 2.04842e+06 3.97357e+07 42.56606 92.13636 159.22102 1.00000 None parabolic box sum 1193 1505 2.23203 3.88116 35.84706 90GluHgb 90GluHa 90GluCg 1.22684e+07 2.26085e+08 34.51645 52.55322 161.66672 1.00000 None parabolic box sum 1194 1506 2.10536 3.88171 35.82822 90GluHga 90GluHa 90GluCg 1.06852e+07 1.94468e+08 35.22515 51.71668 139.90422 1.00000 None parabolic box sum 1195 1507 2.10527 4.22564 35.82293 90GluHga 87AlaHa 90GluCg 4.77091e+06 8.53217e+07 133.24618 50.06551 135.43720 1.00000 None parabolic box sum 1196 1508 2.23090 7.81593 35.85104 90GluHgb 90GluH 90GluCg 1.55510e+07 2.66688e+08 29.74629 51.64870 137.91055 1.00000 None parabolic box sum 1197 1509 2.10610 7.81651 35.83314 90GluHga 90GluH 90GluCg 1.31240e+07 2.42547e+08 36.90958 51.68812 138.80417 1.00000 None parabolic box sum 1198 1510 2.10420 8.55503 35.78666 90GluHga 89AlaH 90GluCg 1.65869e+06 2.77431e+07 28.56433 48.91433 142.10645 1.00000 None parabolic box sum 1199 1511 2.10264 7.70458 35.82028 90GluHga 91HisH 90GluCg 3.33289e+06 6.09298e+07 33.10919 133.44333 145.94690 1.00000 None parabolic box sum 1200 1512 2.10691 1.98086 35.82715 90GluHga 90GluHba 90GluCg 2.92781e+07 5.25523e+08 33.56338 216.53687 137.77136 1.00000 None parabolic box sum 1201 1513 2.10627 2.23357 35.82011 90GluHga 90GluHgb 90GluCg 1.03460e+08 1.78629e+09 30.74229 53.19904 135.93819 1.00000 None parabolic box sum 1202 1514 2.22864 2.10380 35.85255 90GluHgb 90GluHga 90GluCg 1.35231e+08 2.53688e+09 31.12674 97.40641 137.69066 1.00000 None parabolic box sum 1203 1515 2.22891 1.41334 35.83794 90GluHgb 89AlaHb* 90GluCg 2.18987e+06 3.95478e+07 24.71089 83.23588 156.35066 1.00000 None parabolic box sum 1204 1516 2.29013 4.18765 36.93605 18GluHga 18GluHa 18GluCg 1.32726e+07 2.69561e+08 79.04112 53.50403 221.37534 1.00000 None parabolic box sum 1205 1517 2.35958 4.18622 37.03884 18GluHgb 18GluHa 18GluCg 1.50651e+07 2.80226e+08 75.84214 53.61631 132.62275 1.00000 None parabolic box sum 1206 1518 2.35299 7.60262 36.91938 18GluHgb 18GluH 18GluCg 9.55306e+06 2.04094e+08 82.76880 50.99323 175.47009 1.00000 None parabolic box sum 1207 1519 2.29167 9.15823 37.06434 18GluHga 19GlnH 18GluCg 2.40790e+06 4.61606e+07 77.48187 55.14181 140.56948 1.00000 None parabolic box sum 1208 1520 2.30008 8.89497 36.80306 47GluHga 48SerH 47GluCg 6.93076e+06 1.27885e+08 35.26568 52.41327 144.56061 1.00000 None parabolic box sum 1209 1521 2.36101 9.16092 37.00987 18GluHgb 19GlnH 18GluCg 2.55181e+06 4.35439e+07 35.14409 48.68524 133.09246 1.00000 None parabolic box sum 1210 1522 2.38549 8.89810 36.81177 47GluHgb 48SerH 47GluCg 5.71378e+06 1.06315e+08 37.37509 51.57683 139.85692 1.00000 None parabolic box sum 1211 1523 2.38910 4.32331 36.72994 47GluHgb (52Leu/47Glu)Ha 47GluCg 1.14771e+07 2.01335e+08 30.92229 52.99438 132.64467 1.00000 None parabolic box sum 1212 1524 2.30523 4.32265 36.72498 47GluHga (47Glu/52Leu)Ha 47GluCg 1.10012e+07 1.98058e+08 33.77497 57.56049 134.49295 1.00000 None parabolic box sum 1213 1525 2.38796 2.99497 36.70441 47GluHgb 51AspHbb 47GluCg 3.53602e+06 6.43826e+07 34.07061 50.17262 141.10448 1.00000 None parabolic box sum 1214 1526 2.30481 2.99581 36.71052 47GluHga 51AspHbb 47GluCg 3.30728e+06 5.17993e+07 27.92716 44.38018 133.25583 1.00000 None parabolic box sum 1215 1527 2.38794 2.80832 36.75374 47GluHgb (51Asp/44Asp)Hb* 47GluCg 6.36384e+06 1.16139e+08 33.52046 54.37321 131.49988 1.00000 None parabolic box sum 1216 1528 2.30350 2.80786 36.75374 47GluHga 44AspHbb 47GluCg 6.84418e+06 1.15392e+08 30.40373 48.40877 126.43318 1.00000 None parabolic box sum 1217 1534 2.28612 1.58958 37.01982 18GluHga 21AlaHb* 18GluCg 2.57687e+06 4.75711e+07 80.85489 67.66819 128.11644 1.00000 None parabolic box sum 1218 1535 2.36073 1.57992 37.05030 18GluHgb 21AlaHb* 18GluCg 3.27006e+06 5.88774e+07 35.46298 53.01110 126.33177 1.00000 None parabolic box sum 1219 1536 2.36721 1.43224 37.10128 18GluHgb 15ThrHg2* 18GluCg 2.02373e+06 3.58117e+07 85.51061 39.41273 140.35488 1.00000 None parabolic box sum 1220 1537 2.29210 1.42695 37.02487 18GluHga 15ThrHg2* 18GluCg 2.20285e+06 3.84494e+07 82.75568 39.34902 134.85475 1.00000 None parabolic box sum 1221 1538 2.28568 1.30595 37.02646 18GluHga 17ThrHg2* 18GluCg 3.26796e+06 5.68579e+07 81.90393 48.63930 135.22426 1.00000 None parabolic box sum 1222 1539 2.35984 1.29589 37.07724 18GluHgb 17ThrHg2* 18GluCg 2.93269e+06 5.40182e+07 83.43041 46.33833 136.89044 1.00000 None parabolic box sum 1223 1540 2.36146 0.87176 37.02970 18GluHgb 14LeuHda* 18GluCg 7.27654e+06 1.35834e+08 79.87857 58.18162 131.43610 1.00000 None parabolic box sum 1224 1541 2.29005 0.87248 36.98414 18GluHga 14LeuHda* 18GluCg 6.93193e+06 1.35219e+08 81.21192 60.04859 145.60339 1.00000 None parabolic box sum 1225 1542 2.39180 1.00494 36.67289 47GluHgb 52LeuHdb* 47GluCg 8.13601e+06 1.54503e+08 35.70676 51.67408 147.76678 1.00000 None parabolic box sum 1226 1543 2.30413 1.00644 36.70247 47GluHga 52LeuHdb* 47GluCg 6.95778e+06 1.25999e+08 32.97627 53.75168 133.07326 1.00000 None parabolic box sum 1227 1545 2.26272 8.36372 36.06931 41GluHga 41GluH 41GluCg 1.20109e+07 2.04312e+08 28.88680 51.89894 134.94316 1.00000 None parabolic box sum 1228 1548 2.18069 1.00638 36.13639 61GluHga 34ValHgb* 61GluCg 1.11106e+07 1.93995e+08 30.83587 50.10732 134.52409 1.00000 None parabolic box sum 1229 1552 2.42518 1.25154 36.15669 61GluHgb 58ThrHg2* 61GluCg 3.66859e+06 6.07964e+07 29.51562 46.51273 130.44274 1.00000 None parabolic box sum 1230 1553 2.18292 1.25349 36.11964 61GluHga 58ThrHg2* 61GluCg 3.72421e+06 6.13898e+07 27.60768 47.83223 136.68974 1.00000 None parabolic box sum 1231 1554 2.42634 2.18339 36.13910 61GluHgb 61GluHga 61GluCg 1.79103e+08 2.97834e+09 26.89064 48.72849 143.03724 1.00000 None parabolic box sum 1232 1555 2.18222 2.42831 36.13043 61GluHga 61GluHgb 61GluCg 1.74223e+08 2.72045e+09 23.54622 48.16828 145.86227 1.00000 None parabolic box sum 1233 1556 2.42676 4.17017 36.14242 61GluHgb (58Thr/61Glu)H* 61GluCg 1.74979e+07 3.29136e+08 30.10035 78.10199 138.27144 1.00000 None parabolic box sum 1234 1557 2.18025 4.16975 36.13065 61GluHga (61Glu/58Thr)H* 61GluCg 1.96201e+07 3.74348e+08 32.43029 75.79744 136.22155 1.00000 None parabolic box sum 1235 1559 2.18075 7.18882 36.12089 61GluHga {*}(He*/H/Hd2) 61GluCg 5.26538e+06 9.10333e+07 30.40850 50.44476 138.19074 1.00000 None parabolic box sum 1236 1560 2.42643 7.67104 36.13970 61GluHgb 61GluH 61GluCg 1.75007e+07 3.09913e+08 30.82573 51.07843 134.81788 1.00000 None parabolic box sum 1237 1561 2.18139 7.67133 36.12942 61GluHga 61GluH 61GluCg 1.67646e+07 2.91342e+08 30.67076 49.23505 136.80974 1.00000 None parabolic box sum 1238 1563 2.42654 8.49350 36.15515 61GluHgb 62LeuH 61GluCg 3.98166e+06 6.98202e+07 29.49893 48.67563 141.58975 1.00000 None parabolic box sum 1239 1564 2.17983 8.49589 36.15515 61GluHga 62LeuH 61GluCg 5.36971e+06 9.38146e+07 32.40287 47.55173 129.38787 1.00000 None parabolic box sum 1240 1565 3.33639 8.20278 38.48232 37TyrHbb 37TyrH 37TyrCb 1.12536e+07 2.01058e+08 34.45268 47.20154 135.28924 1.00000 None parabolic box sum 1241 1566 3.33397 8.03762 38.53869 37TyrHbb 39SerH 37TyrCb 2.17139e+06 4.09859e+07 104.44760 51.24496 132.73277 1.00000 None parabolic box sum 1242 1567 3.33623 7.03064 38.48531 37TyrHbb 37TyrHd* 37TyrCb 9.01562e+06 1.60925e+08 35.23469 46.07973 137.18635 1.00000 None parabolic box sum 1243 1568 3.33599 4.75837 38.48892 37TyrHbb 37TyrHa 37TyrCb 4.09310e+06 7.31502e+07 32.28962 52.70452 133.69017 1.00000 None parabolic box sum 1244 1569 3.33600 3.85334 38.47135 37TyrHbb 32AlaHa 37TyrCb 6.84824e+06 1.23879e+08 34.97899 51.37705 137.37888 1.00000 None parabolic box sum 1245 1570 2.92491 4.75723 38.49613 37TyrHba 37TyrHa 37TyrCb 3.32692e+06 6.17102e+07 35.69663 51.86998 141.47595 1.00000 None parabolic box sum 1246 1571 2.92350 3.85474 38.47503 37TyrHba 32AlaHa 37TyrCb 7.70292e+06 1.46295e+08 41.63802 50.60701 139.86493 1.00000 None parabolic box sum 1247 1572 2.92573 3.33739 38.48151 37TyrHba 37TyrHbb 37TyrCb 4.44064e+07 8.46185e+08 37.81796 61.71808 136.59287 1.00000 None parabolic box sum 1248 1573 3.33502 2.92755 38.48279 37TyrHbb 37TyrHba 37TyrCb 5.13387e+07 9.55440e+08 36.25274 56.54279 136.48572 1.00000 None parabolic box sum 1249 1574 3.33579 1.52260 38.47083 37TyrHbb 32AlaHb* 37TyrCb 1.51997e+07 2.77749e+08 35.39383 51.71629 136.01934 1.00000 None parabolic box sum 1250 1575 2.92607 1.52470 38.47912 37TyrHba 32AlaHb* 37TyrCb 1.88664e+07 3.52252e+08 39.49940 49.59290 139.80040 1.00000 None parabolic box sum 1251 1576 3.33937 2.02326 38.46413 37TyrHbb 41GluHb3 37TyrCb 2.75807e+06 5.16517e+07 37.86027 49.21863 149.91959 1.00000 None parabolic box sum 1252 1577 2.91640 2.02882 38.49590 37TyrHba 41GluHb3 37TyrCb 1.78749e+06 3.15110e+07 31.79371 49.95363 143.96305 1.00000 None parabolic box sum 1253 1580 2.92729 7.03418 38.51948 37TyrHba 37TyrHd* 37TyrCb 9.57430e+06 1.83556e+08 42.53626 54.10366 135.10593 1.00000 None parabolic box sum 1254 1581 2.92596 8.20215 38.47999 37TyrHba 37TyrH 37TyrCb 1.44175e+07 2.65477e+08 38.21909 46.77183 139.60892 1.00000 None parabolic box sum 1255 1582 2.71188 4.75781 38.56559 73AsnHbb 73AsnHa 73AsnCb 7.42983e+06 1.50007e+08 54.02565 51.69359 131.11662 1.00000 None parabolic box sum 1256 1583 2.72534 8.54997 38.57156 73AsnHbb 73AsnH 73AsnCb 1.98654e+07 3.89814e+08 53.32112 48.02773 131.09183 1.00000 None parabolic box sum 1257 1585 2.72399 7.66890 38.58676 73AsnHbb 73AsnHd2b 73AsnCb 3.54274e+06 6.87129e+07 47.10615 48.64935 140.14693 1.00000 None parabolic box sum 1258 1588 2.71119 0.83761 38.57005 73AsnHbb (72Leu/74Leu)Hda* 73AsnCb 2.49305e+06 5.04208e+07 50.76468 68.21128 140.19469 1.00000 None parabolic box sum 1259 1589 4.18641 7.47441 55.10973 95GlnHa 95GlnH 95GlnCa 2.38197e+07 4.11525e+08 30.61414 49.81527 133.78885 1.00000 None parabolic box sum 1260 1591 4.18675 6.62248 55.11603 95GlnHa 95GlnHe2b 95GlnCa 4.27996e+06 7.07572e+07 28.63169 45.32601 133.01175 1.00000 None parabolic box sum 1261 1592 4.18565 6.40884 55.11465 95GlnHa 95GlnHe2a 95GlnCa 3.03274e+06 4.63762e+07 25.37787 49.09480 122.30710 1.00000 None parabolic box sum 1262 1594 4.18638 1.94278 55.12347 95GlnHa {*}(Hb/Hga/Hb*) 95GlnCa 3.42596e+07 6.37128e+08 31.71802 62.35713 146.58481 1.00000 None parabolic box sum 1263 1597 3.71136 1.91033 66.19279 22ValHa (25Lys/24Arg)Hb* 22ValCa 1.62688e+07 3.05337e+08 27.92180 182.61836 159.42746 1.00000 None parabolic box sum 1264 1598 3.71051 2.02097 66.01438 22ValHa 22ValHb 22ValCa 3.48587e+07 6.10715e+08 25.82908 69.55826 152.78284 1.00000 None parabolic box sum 1265 1601 3.71027 0.86117 65.89857 22ValHa 22ValHga* 22ValCa 9.53664e+07 1.63077e+09 27.88961 49.97314 150.08054 1.00000 None parabolic box sum 1266 1602 3.70762 0.09299 65.70336 34ValHa 35LeuHda* 34ValCa 1.78337e+06 2.83860e+07 22.01557 46.03374 158.11658 1.00000 None parabolic box sum 1267 1603 3.71024 2.24891 65.67839 34ValHa 34ValHb 34ValCa 2.18832e+07 3.74462e+08 25.63775 58.21586 160.60988 1.00000 None parabolic box sum 1268 1607 2.03634 7.02085 31.79773 85ProHba 49PheHe* 85ProCb 2.34302e+06 4.24848e+07 39.85465 54.41661 133.22091 1.00000 None parabolic box sum 1269 1608 2.04303 6.58788 31.80669 85ProHba 49PheHz 85ProCb 2.79908e+06 5.54866e+07 45.89558 50.53236 146.15153 1.00000 None parabolic box sum 1270 1610 2.03704 4.09418 31.83200 85ProHba 85ProHa 85ProCb 1.74371e+07 3.46648e+08 48.55692 63.69575 140.20693 1.00000 None parabolic box sum 1271 1611 2.02934 3.71645 32.07868 22ValHb 22ValHa 22ValCb 2.39760e+07 4.49499e+08 45.51888 57.28775 149.70106 1.00000 None parabolic box sum 1272 1612 2.03181 1.09461 31.95242 22ValHb 22ValHgb* 22ValCb 5.31768e+07 9.90562e+08 39.82365 50.86382 134.89012 1.00000 None parabolic box sum 1273 1614 2.03095 0.87095 31.97384 22ValHb 22ValHga* 22ValCb 5.08571e+07 9.53520e+08 38.55109 95.99175 135.60752 1.00000 None parabolic box sum 1274 1617 4.11458 7.70133 55.65084 21AlaHa 21AlaH 21AlaCa 2.84891e+07 5.07457e+08 33.05435 50.15649 137.24000 1.00000 None parabolic box sum 1275 1618 4.11655 8.53918 55.63459 21AlaHa 22ValH 21AlaCa 9.88362e+06 1.75446e+08 29.01793 67.86279 136.92505 1.00000 None parabolic box sum 1276 1619 4.11758 3.02393 55.62657 21AlaHa 24ArgHda 21AlaCa 5.59555e+06 1.00860e+08 29.27601 81.57555 135.97113 1.00000 None parabolic box sum 1277 1620 4.11914 1.91245 55.61865 21AlaHa 20ArgHbb 21AlaCa 1.16202e+07 2.17517e+08 70.68694 127.08013 129.30037 1.00000 None parabolic box sum 1278 1621 4.11603 1.81026 55.62265 21AlaHa (20Arg/24Arg)Hba 21AlaCa 1.00752e+07 1.83307e+08 31.53741 147.00448 132.06781 1.00000 None parabolic box sum 1279 1622 4.11923 1.58262 55.62945 21AlaHa 21AlaHb* 21AlaCa 7.71020e+07 1.42491e+09 42.01770 51.02030 134.86911 1.00000 None parabolic box sum 1280 1623 1.58184 3.96718 17.90246 21AlaHb* 17ThrHa 21AlaCb 3.68919e+06 5.43856e+07 62.43110 204.88748 126.75176 1.00000 None parabolic box sum 1281 1624 1.58114 3.02744 17.90076 21AlaHb* 24ArgHda 21AlaCb 2.97658e+06 4.54270e+07 22.80414 125.41502 130.38637 1.00000 None parabolic box sum 1282 1625 1.58106 2.37312 17.87901 21AlaHb* 18GluHbb 21AlaCb 6.29129e+06 9.01218e+07 23.69404 91.63348 120.64742 1.00000 None parabolic box sum 1283 1626 1.58039 2.28734 17.88295 21AlaHb* 18GluHga 21AlaCb 6.04103e+06 8.86737e+07 24.65844 92.87096 122.89257 1.00000 None parabolic box sum 1284 1627 1.58085 2.08577 17.89357 21AlaHb* 18GluHba 21AlaCb 7.80358e+06 1.17240e+08 23.38111 80.70756 122.63142 1.00000 None parabolic box sum 1285 1631 1.41020 -0.14163 19.06844 59AlaHb* 79IleHg2* 59AlaCb 2.18267e+07 3.54099e+08 26.10147 45.50180 128.57193 1.00000 None parabolic box sum 1286 1632 1.41013 9.07217 19.06682 59AlaHb* 59AlaH 59AlaCb 5.52570e+07 8.97832e+08 25.78259 48.40872 129.04919 1.00000 None parabolic box sum 1287 1633 0.89711 -0.15402 23.10949 88ValHga* 79IleHg2* 88ValCga 8.18867e+06 1.15324e+08 23.51820 47.40142 122.34821 1.00000 None parabolic box sum 1288 1634 1.04066 -0.13915 24.52016 78LeuHdb* 79IleHg2* 78LeuCdb 4.71319e+06 7.46161e+07 23.75484 52.71527 134.43265 1.00000 None parabolic box sum 1289 1638 0.63941 -0.14332 26.52557 79IleHg1b 79IleHg2* 79IleCg1 1.77020e+07 3.10462e+08 36.33320 44.01944 133.02233 1.00000 None parabolic box sum 1290 1641 0.73383 -0.14192 26.86459 66LeuHda* 79IleHg2* None 4.00900e+06 6.49963e+07 32.96912 42.95357 136.94348 1.00000 None parabolic box sum 1291 1642 1.28471 -0.14372 26.86180 62LeuHg 79IleHg2* 62LeuCg 3.26509e+06 6.85007e+07 34.04260 43.08098 202.40825 1.00000 None parabolic box sum 1292 1644 0.81608 -0.14488 27.42112 78LeuHda* 79IleHg2* 78LeuCda 1.39326e+07 2.14788e+08 24.58513 45.44804 138.99277 1.00000 None parabolic box sum 1293 1645 0.81711 3.64167 27.43697 78LeuHda* 63ArgHa 78LeuCda 1.65894e+07 2.60002e+08 24.58096 53.05331 129.82599 1.00000 None parabolic box sum 1294 1647 0.81730 7.64883 27.43545 78LeuHda* 79IleH 78LeuCda 8.40214e+06 1.29796e+08 22.79818 57.06966 141.23853 1.00000 None parabolic box sum 1295 1648 0.81887 7.35805 27.42992 78LeuHda* 78LeuH 78LeuCda 5.12138e+06 7.69163e+07 24.34015 45.42515 127.19214 1.00000 None parabolic box sum 1296 1649 0.81564 6.19001 27.44266 78LeuHda* 91HisHd2 78LeuCda 3.46771e+06 5.14274e+07 24.04451 46.59614 120.51382 1.00000 None parabolic box sum 1297 1650 0.81717 8.78835 27.47413 78LeuHda* 66LeuH 78LeuCda 2.44799e+06 3.39849e+07 20.06412 48.06904 120.56762 1.00000 None parabolic box sum 1298 1651 2.83486 0.01062 39.91916 54PheHbb 79IleHd1* 54PheCb 6.68642e+06 1.21099e+08 37.16648 49.58015 134.45835 1.00000 None parabolic box sum 1299 1652 2.66639 0.01088 39.91506 54PheHba 79IleHd1* 54PheCb 7.79154e+06 1.42825e+08 38.12671 48.67633 135.15897 1.00000 None parabolic box sum 1300 1653 2.83020 -0.14109 39.90969 54PheHbb 79IleHg2* 54PheCb 1.68101e+06 2.79381e+07 31.55112 38.73346 136.20553 1.00000 None parabolic box sum 1301 1654 2.67051 -0.14527 39.89939 54PheHba 79IleHg2* 54PheCb 1.74645e+06 2.92354e+07 31.84319 41.88809 131.33379 1.00000 None parabolic box sum 1302 1655 2.83560 2.67395 39.92872 54PheHbb 54PheHba 54PheCb 3.24594e+07 6.26231e+08 40.33864 63.12438 134.68398 1.00000 None parabolic box sum 1303 1656 2.66735 2.83708 39.91068 54PheHba 54PheHbb 54PheCb 3.12840e+07 5.94856e+08 40.15446 56.91348 135.98367 1.00000 None parabolic box sum 1304 1658 2.83582 1.41434 39.96424 54PheHbb 59AlaHb* 54PheCb 2.92365e+06 5.56210e+07 40.29691 55.08473 135.60510 1.00000 None parabolic box sum 1305 1662 2.66390 1.41695 39.91097 54PheHba 59AlaHb* 54PheCb 3.45370e+06 6.62504e+07 44.63255 52.12480 139.53411 1.00000 None parabolic box sum 1306 1663 2.82926 3.85235 39.88538 54PheHbb 59AlaHa 54PheCb 1.63871e+06 3.16182e+07 37.14859 56.54757 135.75986 1.00000 None parabolic box sum 1307 1664 2.66710 3.85645 39.95195 54PheHba 59AlaHa 54PheCb 1.93116e+06 3.54241e+07 39.47556 47.28476 136.49781 1.00000 None parabolic box sum 1308 1665 2.66750 4.09314 39.90362 54PheHba 54PheHa 54PheCb 7.42879e+06 1.43913e+08 43.29324 56.39308 135.42178 1.00000 None parabolic box sum 1309 1666 2.83663 4.08616 39.91188 54PheHbb 54PheHa 54PheCb 6.37411e+06 1.20101e+08 36.01134 60.41649 137.02268 1.00000 None parabolic box sum 1310 1667 2.83521 4.31423 39.81574 54PheHbb 50LysHa 54PheCb 5.55662e+06 1.06561e+08 40.66825 58.09442 141.38829 1.00000 None parabolic box sum 1311 1668 2.83494 7.40221 39.92868 54PheHbb 54PheHd* 54PheCb 1.00619e+07 1.91874e+08 41.33940 58.02554 133.41118 1.00000 None parabolic box sum 1312 1669 2.66662 7.40027 39.91569 54PheHba 54PheHd* 54PheCb 1.20107e+07 2.23294e+08 37.24873 56.35964 132.03426 1.00000 None parabolic box sum 1313 1670 2.83530 7.26499 39.91420 54PheHbb 80PheHe* 54PheCb 1.79594e+06 3.50272e+07 42.84382 213.08362 125.80343 1.00000 None parabolic box sum 1314 1671 2.66575 7.24495 39.87766 54PheHba 80PheHe* 54PheCb 2.25732e+06 4.22024e+07 34.38532 193.37566 133.54055 1.00000 None parabolic box sum 1315 1672 2.66809 8.15492 39.92846 54PheHba 54PheH 54PheCb 1.47692e+07 2.67248e+08 36.39936 50.95142 134.14989 1.00000 None parabolic box sum 1316 1673 1.49364 0.02464 40.82543 62LeuHba 79IleHd1* 62LeuCb 1.74277e+06 3.05481e+07 28.99647 47.94969 144.86007 1.00000 None parabolic box sum 1317 1674 1.80678 0.01310 40.83857 62LeuHbb 79IleHd1* 62LeuCb 2.71182e+06 4.80105e+07 40.76004 44.71384 138.08782 1.00000 None parabolic box sum 1318 1675 1.80255 -0.14307 40.74859 62LeuHbb 79IleHg2* 62LeuCb 2.24948e+06 4.11826e+07 45.42947 42.79152 144.96193 1.00000 None parabolic box sum 1319 1676 1.47613 -0.14448 40.71094 62LeuHba 79IleHg2* 62LeuCb 1.62467e+06 2.57685e+07 27.80318 43.84744 120.37781 1.00000 None parabolic box sum 1320 1677 1.79992 0.24155 40.75919 62LeuHbb 62LeuHda* 62LeuCb 1.40502e+07 2.64520e+08 42.53089 53.22651 132.61006 1.00000 None parabolic box sum 1321 1678 1.48577 0.24173 40.75213 62LeuHba 62LeuHda* 62LeuCb 1.27486e+07 2.37591e+08 41.46457 52.81202 131.46028 1.00000 None parabolic box sum 1322 1683 1.80002 1.28459 40.75172 62LeuHbb 62LeuHg 62LeuCb 1.39771e+07 2.69478e+08 41.40735 61.98724 136.14107 1.00000 None parabolic box sum 1323 1684 1.48858 1.27906 40.80970 62LeuHba 62LeuHg 62LeuCb 1.28980e+07 2.57133e+08 43.78855 65.05427 140.49498 1.00000 None parabolic box sum 1324 1685 1.80217 7.22205 40.76246 62LeuHbb 54PheHe* 62LeuCb 5.04962e+06 9.36277e+07 45.93194 51.13000 139.46399 1.00000 None parabolic box sum 1325 1686 2.12351 -0.14548 42.39173 78LeuHbb 79IleHg2* 78LeuCb 2.20889e+06 4.10917e+07 38.46228 46.66243 134.30858 1.00000 None parabolic box sum 1326 1687 2.11414 0.01175 42.33262 78LeuHbb 79IleHd1* 78LeuCb 1.50662e+06 2.91098e+07 44.15691 56.11795 134.52771 1.00000 None parabolic box sum 1327 1688 1.75690 0.01048 42.36990 78LeuHba 79IleHd1* 78LeuCb 2.33715e+06 3.95067e+07 33.11217 44.92844 135.24632 1.00000 None parabolic box sum 1328 1689 1.75750 -0.14152 42.38419 78LeuHba 79IleHg2* 78LeuCb 3.79018e+06 6.68898e+07 37.93895 46.03891 134.67657 1.00000 None parabolic box sum 1329 1690 2.12273 4.04012 42.35186 78LeuHbb 78LeuHa 78LeuCb 9.58133e+06 1.80401e+08 40.12704 54.16935 134.73891 1.00000 None parabolic box sum 1330 1691 2.12339 7.36034 42.39151 78LeuHbb 78LeuH 78LeuCb 1.38908e+07 2.53907e+08 40.21168 47.31462 136.97394 1.00000 None parabolic box sum 1331 1692 2.12452 7.65611 42.35354 78LeuHbb 79IleH 78LeuCb 6.83453e+06 1.31289e+08 40.85958 53.15902 140.88647 1.00000 None parabolic box sum 1332 1693 1.75811 7.35838 42.47328 78LeuHba 78LeuH 78LeuCb 1.45989e+07 2.92819e+08 43.43271 49.89371 177.47676 1.00000 None parabolic box sum 1333 1694 3.86060 -0.14219 55.58987 59AlaHa 79IleHg2* 59AlaCa 1.00416e+07 1.68534e+08 28.71215 45.58700 134.17362 1.00000 None parabolic box sum 1334 1696 6.58774 -0.14456 127.00583 49PheHz 79IleHg2* 49PheCz 2.29417e+06 4.14690e+07 32.59033 44.31528 152.69005 1.00000 None parabolic box sum 1335 1697 6.58662 1.32240 127.01810 49PheHz 88ValHgb* 49PheCz 1.81055e+07 3.30315e+08 32.25029 53.70629 147.15426 1.00000 None parabolic box sum 1336 1698 6.58644 1.15596 127.01080 49PheHz 27ValHgb* 49PheCz 1.57064e+07 2.87574e+08 33.13035 52.67944 146.37414 1.00000 None parabolic box sum 1337 1699 6.58733 0.90332 127.01425 49PheHz 88ValHga* 49PheCz 5.29826e+06 9.67008e+07 31.91650 55.45661 142.06066 1.00000 None parabolic box sum 1338 1700 6.58852 0.77868 126.94957 49PheHz 66LeuHda* 49PheCz 3.07744e+06 5.84157e+07 34.34569 134.59820 148.37113 1.00000 None parabolic box sum 1339 1701 6.58749 0.24194 127.02056 49PheHz 62LeuHda* 49PheCz 4.62377e+06 8.33165e+07 32.51582 51.74177 148.89041 1.00000 None parabolic box sum 1340 1702 6.58715 2.32378 127.01900 49PheHz 88ValHb 49PheCz 5.81469e+06 1.06917e+08 30.90203 57.77589 147.93831 1.00000 None parabolic box sum 1341 1703 6.58709 2.02400 127.02657 49PheHz 85ProHba 49PheCz 3.88877e+06 7.61586e+07 32.87822 77.09942 150.34758 1.00000 None parabolic box sum 1342 1704 6.58612 1.69149 127.03187 49PheHz 31AlaHb* 49PheCz 2.47724e+06 4.35803e+07 28.26333 57.32876 141.52083 1.00000 None parabolic box sum 1343 1705 6.58640 4.09528 127.01072 49PheHz 85ProHa 49PheCz 1.71754e+07 3.12268e+08 32.47112 52.35295 148.07462 1.00000 None parabolic box sum 1344 1706 6.58800 8.55584 127.04819 49PheHz 88ValH 49PheCz 3.05945e+06 5.09144e+07 29.38151 43.05331 148.82512 1.00000 None parabolic box sum 1345 1707 7.35151 0.09754 129.05385 54PheHz 35LeuHda* 54PheCz 3.56791e+06 6.31185e+07 31.49271 45.88005 153.30635 1.00000 None parabolic box sum 1346 1708 7.02758 0.01333 129.06022 80PheHz 79IleHd1* 80PheCz 2.85306e+06 4.76671e+07 25.03008 51.30777 164.77359 1.00000 None parabolic box sum 1347 1710 7.01569 -0.14637 130.84536 49PheHe* 79IleHg2* 49PheCe* 3.36259e+06 6.18923e+07 31.22509 47.82586 176.79336 1.00000 None parabolic box sum 1348 1711 7.01712 0.00358 130.76390 49PheHe* 79IleHd1* 49PheCe* 1.90996e+06 3.40649e+07 31.01856 45.18526 169.67284 1.00000 None parabolic box sum 1349 1714 7.40160 0.01162 131.56652 54PheHd* 79IleHd1* 54PheCd* 4.45678e+06 7.92922e+07 27.11654 103.14271 157.80511 1.00000 None parabolic box sum 1350 1717 6.91514 0.01065 131.82772 49PheHd* 79IleHd1* 49PheCd* 4.11174e+06 7.08639e+07 29.43218 48.26782 158.75449 1.00000 None parabolic box sum 1351 1718 6.91435 -0.14477 131.85985 49PheHd* 79IleHg2* 49PheCd* 6.31143e+06 1.12862e+08 31.76779 45.33019 167.85176 1.00000 None parabolic box sum 1352 1719 8.19092 0.85608 137.52631 65HisHe1 34ValHga* 65HisCe1 4.56763e+06 6.95023e+07 24.24985 48.42987 121.29303 1.00000 None parabolic box sum 1353 1720 6.84607 2.24435 118.37482 37TyrHe* (34Val/41Glu)(Hb/Hga) 37TyrCe* 2.32379e+06 3.82433e+07 23.00143 47.92301 166.82742 1.00000 None parabolic box sum 1354 1721 6.84936 2.04297 118.38804 86HisHd2 83ProHgb 86HisCd2 2.88688e+06 5.38488e+07 26.10534 113.00754 150.25841 1.00000 None parabolic box sum 1355 1722 6.85034 1.75994 118.36419 86HisHd2 87AlaHb* 86HisCd2 5.86451e+06 1.01826e+08 24.45966 97.29134 145.38274 1.00000 None parabolic box sum 1356 1723 6.83700 1.66905 118.38318 37TyrHe* 31AlaHb* 37TyrCe* 4.91067e+06 7.79280e+07 21.81113 132.30758 146.00115 1.00000 None parabolic box sum 1357 1724 6.83773 1.51504 118.39117 37TyrHe* 32AlaHb* 37TyrCe* 5.39820e+06 8.45765e+07 21.62516 153.44513 145.87693 1.00000 None parabolic box sum 1358 1725 6.83906 1.39962 118.36595 37TyrHe* 35LeuHbb 37TyrCe* 1.04616e+07 1.69352e+08 22.74424 71.84569 148.92607 1.00000 None parabolic box sum 1359 1726 6.83770 1.15707 118.37873 37TyrHe* 35LeuHba 37TyrCe* 7.62343e+06 1.19257e+08 21.65884 62.72981 140.60621 1.00000 None parabolic box sum 1360 1729 6.83908 3.33454 118.30652 37TyrHe* 37TyrHbb 37TyrCe* 1.54005e+06 2.07147e+07 18.09388 46.31126 156.75719 1.00000 None parabolic box sum 1361 1730 6.69206 0.90897 120.43029 82HisHd2 88ValHga* 82HisCd2 1.79263e+06 2.84807e+07 28.27734 107.48784 141.46794 1.00000 None parabolic box sum 1362 1731 6.69337 0.81264 120.45666 82HisHd2 78LeuHda* 82HisCd2 2.28604e+06 3.84847e+07 27.90868 54.30234 157.01109 1.00000 None parabolic box sum 1363 1732 7.17767 2.76859 120.75407 65HisHd2 64AspHba 65HisCd2 1.99623e+06 3.02037e+07 20.30194 53.58446 165.02960 1.00000 None parabolic box sum 1364 1733 6.69371 8.03110 120.44739 82HisHd2 81AspH 82HisCd2 2.08428e+06 3.38394e+07 25.89494 44.54561 167.29652 1.00000 None parabolic box sum 1365 1734 6.69571 6.18732 120.46861 82HisHd2 91HisHd2 82HisCd2 2.26895e+06 3.63187e+07 27.69411 36.76237 155.54273 1.00000 None parabolic box sum 1366 1737 7.02606 1.41380 128.98985 80PheHz 59AlaHb* 80PheCz 8.43290e+06 1.50908e+08 29.95968 52.58069 150.46002 1.00000 None parabolic box sum 1367 1738 7.02554 7.26619 128.98254 80PheHz 80PheHe* 80PheCz 6.15389e+07 1.08702e+09 29.29926 52.60140 152.44553 1.00000 None parabolic box sum 1368 1739 7.35133 2.25012 129.05719 54PheHz 34ValHb 54PheCz 4.46944e+06 8.24040e+07 33.99938 56.36800 147.47283 1.00000 None parabolic box sum 1369 1740 7.35136 1.68376 129.05462 54PheHz 31AlaHb* 54PheCz 1.43319e+07 2.61076e+08 33.64354 48.67713 151.68838 1.00000 None parabolic box sum 1370 1741 7.35291 1.41895 129.04915 54PheHz 35LeuHbb 54PheCz 6.24613e+06 1.19582e+08 32.84335 73.76642 150.69154 1.00000 None parabolic box sum 1371 1742 7.35074 1.00901 129.04662 54PheHz 34ValHgb* 54PheCz 4.09399e+06 7.15917e+07 30.39420 143.11645 155.42788 1.00000 None parabolic box sum 1372 1743 7.35184 0.87753 129.04019 54PheHz 34ValHga* 54PheCz 7.09063e+06 1.31484e+08 34.21962 57.76992 153.13920 1.00000 None parabolic box sum 1373 1744 7.35106 0.62782 129.05371 54PheHz 35LeuHdb* 54PheCz 4.14457e+06 7.68308e+07 35.05439 53.13015 156.50481 1.00000 None parabolic box sum 1374 1745 7.35318 0.24141 129.05964 54PheHz 62LeuHda* 54PheCz 6.46033e+06 1.17380e+08 33.37771 52.22315 151.70440 1.00000 None parabolic box sum 1375 1746 7.34408 1.81919 128.96917 54PheHz 62LeuHbb 54PheCz 1.63267e+06 2.47856e+07 45.82554 37.63215 172.78909 1.00000 None parabolic box sum 1376 1747 7.35161 4.18776 129.04904 54PheHz 31AlaHa 54PheCz 1.36206e+07 2.47731e+08 32.21124 52.78097 150.71512 1.00000 None parabolic box sum 1377 1748 7.35139 7.22113 129.02351 54PheHz 54PheHe* 54PheCz 2.72618e+07 4.91460e+08 32.36264 54.41462 157.02167 1.00000 None parabolic box sum 1378 1750 7.02350 1.15952 131.40805 37TyrHd* 35LeuHba 37TyrCd* 7.11480e+06 1.34558e+08 29.11776 54.46359 203.11341 1.00000 None parabolic box sum 1379 1752 7.01697 4.09207 130.74355 49PheHe* 85ProHa 49PheCe* 5.26790e+06 9.66653e+07 30.75898 54.97961 170.25166 1.00000 None parabolic box sum 1380 1753 7.01708 2.32851 130.70375 49PheHe* 88ValHb 49PheCe* 3.43179e+06 6.21332e+07 28.02372 63.24821 170.37438 1.00000 None parabolic box sum 1381 1754 7.01721 1.68529 130.77985 49PheHe* 31AlaHb* 49PheCe* 9.14239e+06 1.70767e+08 31.99548 52.74872 175.66988 1.00000 None parabolic box sum 1382 1755 7.01667 1.32503 130.74042 49PheHe* 88ValHgb* 49PheCe* 2.56348e+07 4.76149e+08 32.26966 54.61091 158.87056 1.00000 None parabolic box sum 1383 1756 7.01517 0.24267 130.72730 49PheHe* 62LeuHda* 49PheCe* 8.03384e+06 1.46710e+08 32.30959 51.80747 154.65108 1.00000 None parabolic box sum 1384 1757 7.01636 6.59169 130.71628 49PheHe* 49PheHz 49PheCe* 2.25556e+07 4.06436e+08 32.68659 50.16645 151.47831 1.00000 None parabolic box sum 1385 1758 7.01754 8.55624 130.79320 49PheHe* 88ValH 49PheCe* 2.52712e+06 4.55732e+07 30.11674 46.78069 164.54207 1.00000 None parabolic box sum 1386 1759 7.02698 3.85267 131.34957 37TyrHd* 36GlyHaa 37TyrCd* 9.94330e+06 1.69474e+08 24.91087 53.31848 161.33182 1.00000 None parabolic box sum 1387 1760 7.11459 3.23984 131.19280 80PheHd* 80PheHbb 80PheCd* 7.97969e+06 1.23508e+08 22.87030 53.30296 137.47092 1.00000 None parabolic box sum 1388 1762 7.11484 2.89305 131.22042 80PheHd* 80PheHba 80PheCd* 8.61958e+06 1.32299e+08 22.75676 55.38494 135.02598 1.00000 None parabolic box sum 1389 1764 7.22552 2.83925 131.37767 54PheHe* 54PheHbb 54PheCe* 2.71789e+06 5.37416e+07 46.91571 68.33153 157.03225 1.00000 None parabolic box sum 1390 1765 7.21859 2.67516 131.36099 54PheHe* (49Phe/54Phe)Hba 54PheCe* 4.34626e+06 8.04542e+07 30.61742 67.89315 146.61715 1.00000 None parabolic box sum 1391 1767 7.21911 2.27051 131.44295 54PheHe* 34ValHb 54PheCe* 3.40245e+06 6.63574e+07 28.74404 98.45198 161.25656 1.00000 None parabolic box sum 1392 1768 7.21715 1.82072 131.37424 54PheHe* 52LeuHba 54PheCe* 6.12809e+06 1.10484e+08 29.89799 57.52664 153.42544 1.00000 None parabolic box sum 1393 1769 7.21752 1.68251 131.36017 54PheHe* 31AlaHb* 54PheCe* 6.48626e+06 1.15615e+08 28.48983 51.27473 162.55746 1.00000 None parabolic box sum 1394 1770 7.25666 1.41372 131.19078 80PheHe* 59AlaHb* 80PheCe* 9.22838e+06 1.63970e+08 44.29758 52.36608 132.98153 1.00000 None parabolic box sum 1395 1771 7.11460 1.41282 131.20172 80PheHd* 59AlaHb* 80PheCd* 7.99840e+06 1.20731e+08 22.00931 53.02902 139.74327 1.00000 None parabolic box sum 1396 1772 7.21646 1.26303 131.34124 54PheHe* 58ThrHg2* 54PheCe* 2.94425e+06 5.39246e+07 34.52629 61.92672 159.12022 1.00000 None parabolic box sum 1397 1773 7.26086 1.13914 131.17711 80PheHe* 77ThrHg2* 80PheCe* 4.51427e+06 7.02845e+07 24.98746 48.86785 137.57066 1.00000 None parabolic box sum 1398 1774 7.11473 1.13787 131.19150 80PheHd* 77ThrHg2* 80PheCd* 6.67846e+06 1.02610e+08 24.26535 47.38987 135.57669 1.00000 None parabolic box sum 1399 1775 7.21722 1.00616 131.33565 54PheHe* 34ValHgb* 54PheCe* 9.83697e+06 1.78173e+08 31.68583 49.23973 164.78508 1.00000 None parabolic box sum 1400 1776 7.21658 0.87171 131.34743 54PheHe* 34ValHga* 54PheCe* 5.87897e+06 1.08450e+08 30.82901 115.80940 160.05237 1.00000 None parabolic box sum 1401 1777 7.02699 0.87726 131.31086 37TyrHd* 43LeuHdb* 37TyrCd* 1.13566e+07 2.09063e+08 25.24734 84.20102 170.14738 1.00000 None parabolic box sum 1402 1778 7.21854 0.76224 131.34928 54PheHe* 52LeuHda* 54PheCe* 4.93908e+06 9.24405e+07 29.95282 123.86777 151.42935 1.00000 None parabolic box sum 1403 1779 7.21947 0.63165 131.34336 54PheHe* 35LeuHdb* 54PheCe* 6.68232e+06 1.25081e+08 32.37993 53.90099 160.31020 1.00000 None parabolic box sum 1404 1780 7.21700 0.24069 131.34401 54PheHe* 62LeuHda* 54PheCe* 5.01431e+06 8.98151e+07 28.75984 48.65005 166.89482 1.00000 None parabolic box sum 1405 1781 7.11481 0.11573 131.21871 80PheHd* 79IleHg1a 80PheCd* 1.53289e+06 2.17895e+07 19.92911 117.39567 138.59501 1.00000 None parabolic box sum 1406 1782 7.21742 0.09542 131.37858 54PheHe* 35LeuHda* 54PheCe* 4.07174e+06 7.38509e+07 35.70318 57.02217 168.27250 1.00000 None parabolic box sum 1407 1783 7.25855 0.00801 131.20444 80PheHe* 79IleHd1* 80PheCe* 2.61174e+06 4.66554e+07 46.19032 107.21351 133.20157 1.00000 None parabolic box sum 1408 1784 7.11573 0.00862 131.16685 80PheHd* 79IleHd1* 80PheCd* 2.96159e+06 4.40520e+07 21.09468 47.68889 149.93409 1.00000 None parabolic box sum 1409 1785 7.25623 -0.14159 131.22292 80PheHe* 79IleHg2* 80PheCe* 1.75694e+06 2.66713e+07 39.56974 41.44494 134.36646 1.00000 None parabolic box sum 1410 1786 7.11635 -0.14573 131.08726 80PheHd* 79IleHg2* 80PheCd* 1.99887e+06 2.70652e+07 20.28257 40.53036 145.03122 1.00000 None parabolic box sum 1411 1789 7.26200 4.49967 131.15679 80PheHe* 80PheHa 80PheCe* 4.37613e+06 6.79048e+07 22.64798 111.53474 132.77207 1.00000 None parabolic box sum 1412 1790 7.11472 4.50165 131.20146 80PheHd* 80PheHa 80PheCd* 7.51462e+06 1.18065e+08 23.14806 108.52186 133.55491 1.00000 None parabolic box sum 1413 1791 7.26135 4.41024 131.16423 80PheHe* 77ThrHa 80PheCe* 4.63409e+06 7.27633e+07 23.34416 109.50174 141.97180 1.00000 None parabolic box sum 1414 1792 7.11524 4.41074 131.20234 80PheHd* 77ThrHa 80PheCd* 7.26605e+06 1.12886e+08 23.17578 109.66538 132.62789 1.00000 None parabolic box sum 1415 1793 7.21746 4.30558 131.38565 54PheHe* 49PheHa 54PheCe* 2.35240e+06 4.15827e+07 35.09045 57.58557 162.90324 1.00000 None parabolic box sum 1416 1794 7.01885 4.31628 131.31472 37TyrHd* 33SerHa 37TyrCd* 1.53109e+06 2.54495e+07 24.38456 241.41593 130.40299 1.00000 None parabolic box sum 1417 1795 7.26220 4.27329 131.15701 80PheHe* 49PheHa 80PheCe* 2.31935e+06 4.24566e+07 46.78428 61.34341 147.50155 1.00000 None parabolic box sum 1418 1797 7.11521 4.05262 131.12771 80PheHd* 48SerHba 80PheCd* 1.47526e+06 2.13605e+07 19.73718 68.83958 145.50697 1.00000 None parabolic box sum 1419 1799 7.26070 7.12332 131.17484 80PheHe* 80PheHd* 80PheCe* 2.25952e+08 3.68642e+09 24.86527 154.29839 134.81622 1.00000 None parabolic box sum 1420 1800 7.02766 8.20131 131.35725 37TyrHd* 37TyrH 37TyrCd* 7.10303e+06 1.13253e+08 24.67483 44.58404 148.52680 1.00000 None parabolic box sum 1421 1801 7.21641 8.16143 131.37840 54PheHe* 54PheH 54PheCe* 4.06105e+06 6.99776e+07 26.11369 53.57400 147.95100 1.00000 None parabolic box sum 1422 1802 7.40048 9.07240 131.53840 54PheHd* 59AlaH 54PheCd* 2.61295e+06 4.43248e+07 24.72579 49.07350 172.60774 1.00000 None parabolic box sum 1423 1803 7.40093 7.22753 131.48416 54PheHd* 54PheHe* 54PheCd* 5.92589e+07 1.02761e+09 25.87497 69.56702 142.16947 1.00000 None parabolic box sum 1424 1807 7.40154 6.91134 131.57367 54PheHd* 54PheHz 54PheCd* 4.51764e+06 7.92184e+07 27.34542 53.96012 159.72050 1.00000 None parabolic box sum 1425 1809 7.40071 4.29981 131.55149 54PheHd* 49PheHa 54PheCd* 5.24484e+06 9.38171e+07 26.91031 58.31341 162.59585 1.00000 None parabolic box sum 1426 1810 7.40130 4.13118 131.54056 54PheHd* 54PheHa 54PheCd* 9.20538e+06 1.67947e+08 27.69828 70.10852 158.70643 1.00000 None parabolic box sum 1427 1811 7.40070 3.86187 131.54786 54PheHd* 59AlaHa 54PheCd* 6.23855e+06 1.08668e+08 26.63851 50.48398 165.24813 1.00000 None parabolic box sum 1428 1812 7.40119 2.83876 131.55880 54PheHd* 54PheHbb 54PheCd* 7.36797e+06 1.32262e+08 26.89421 63.55400 164.92502 1.00000 None parabolic box sum 1429 1813 7.40037 2.67690 131.55911 54PheHd* 54PheHba 54PheCd* 1.11390e+07 2.05356e+08 28.11700 64.38536 165.24723 1.00000 None parabolic box sum 1430 1814 7.40164 2.33070 131.53532 54PheHd* 52LeuHbb 54PheCd* 5.74445e+06 1.00269e+08 25.98345 67.85214 162.71161 1.00000 None parabolic box sum 1431 1815 7.40099 1.82422 131.52281 54PheHd* 52LeuHba 54PheCd* 6.64643e+06 1.16165e+08 27.16064 59.33190 153.58170 1.00000 None parabolic box sum 1432 1816 7.40139 1.68426 131.44890 54PheHd* 31AlaHb* 54PheCd* 3.78545e+06 6.20835e+07 25.17015 54.08494 147.98395 1.00000 None parabolic box sum 1433 1817 7.40166 1.42201 131.51343 54PheHd* 59AlaHb* 54PheCd* 5.76261e+06 1.02364e+08 25.64132 73.78076 154.80342 1.00000 None parabolic box sum 1434 1818 7.40328 1.26148 131.52459 54PheHd* 58ThrHg2* 54PheCd* 3.37453e+06 5.68263e+07 25.56235 54.40507 170.14738 1.00000 None parabolic box sum 1435 1819 7.40065 1.00564 131.48090 54PheHd* 34ValHgb* 54PheCd* 7.71768e+06 1.28458e+08 25.54834 47.67655 154.24425 1.00000 None parabolic box sum 1436 1820 7.40190 0.87132 131.49288 54PheHd* 34ValHga* 54PheCd* 3.99480e+06 6.46720e+07 25.09892 121.68027 152.18771 1.00000 None parabolic box sum 1437 1821 7.40193 0.76104 131.53686 54PheHd* 52LeuHda* 54PheCd* 4.85676e+06 8.53598e+07 27.49622 114.30355 161.17102 1.00000 None parabolic box sum 1438 1822 7.40036 0.62863 131.48234 54PheHd* 35LeuHdb* 54PheCd* 5.60155e+06 9.35005e+07 25.79749 51.34122 152.47303 1.00000 None parabolic box sum 1439 1823 7.40065 0.24128 131.49912 54PheHd* 62LeuHda* 54PheCd* 3.45509e+06 5.91109e+07 27.13889 47.33294 152.41621 1.00000 None parabolic box sum 1440 1824 7.39977 0.09916 131.50003 54PheHd* 35LeuHda* 54PheCd* 4.18896e+06 7.56447e+07 26.81494 105.27407 156.67317 1.00000 None parabolic box sum 1441 1826 7.21522 4.14707 131.39591 54PheHe* 58ThrH* 54PheCe* 6.55264e+06 1.21372e+08 29.42979 69.79835 155.53729 1.00000 None parabolic box sum 1442 1827 7.21635 3.86152 131.42506 54PheHe* 59AlaHa 54PheCe* 2.98059e+06 5.14035e+07 30.68149 49.25884 144.60232 1.00000 None parabolic box sum 1443 1828 7.22168 8.48970 131.37045 54PheHe* 62LeuH 54PheCe* 1.95579e+06 3.00255e+07 23.27383 47.61195 151.83679 1.00000 None parabolic box sum 1444 1829 7.21461 6.90864 131.36682 54PheHe* 54PheHz 54PheCe* 3.63775e+06 5.35791e+07 20.12104 47.62857 145.99511 1.00000 None parabolic box sum 1445 1830 7.22413 7.35273 131.42712 54PheHe* 54PheHd* 54PheCe* 8.12917e+07 1.54004e+09 30.77358 155.51318 150.93818 1.00000 None parabolic box sum 1446 1831 7.11507 7.26195 131.20347 80PheHd* 80PheHe* 80PheCd* 2.68650e+08 4.04802e+09 21.45708 61.57196 133.74079 1.00000 None parabolic box sum 1447 1832 6.91446 2.69294 131.85842 49PheHd* 49PheHbb 49PheCd* 1.48156e+07 2.84619e+08 30.52831 79.80970 162.64905 1.00000 None parabolic box sum 1448 1833 6.91445 2.33610 131.83269 49PheHd* 52LeuHbb 49PheCd* 2.14335e+06 4.30149e+07 31.15982 92.91635 177.15063 1.00000 None parabolic box sum 1449 1834 6.91261 1.82013 131.80233 49PheHd* 52LeuHba 49PheCd* 2.00887e+06 3.49431e+07 25.52778 69.85529 153.90119 1.00000 None parabolic box sum 1450 1835 6.91938 1.68667 131.66984 49PheHd* 31AlaHb* 49PheCd* 1.80252e+06 3.45400e+07 30.48569 58.36398 211.48858 1.00000 None parabolic box sum 1451 1836 6.91566 1.30464 131.72086 49PheHd* 79IleHb 49PheCd* 7.09753e+06 1.38069e+08 31.08442 58.79479 199.07317 1.00000 None parabolic box sum 1452 1837 6.91467 0.76267 131.83957 49PheHd* 52LeuHda* 49PheCd* 6.23189e+06 1.15716e+08 32.00293 52.48434 168.18122 1.00000 None parabolic box sum 1453 1838 6.91892 0.23722 131.82263 49PheHd* 62LeuHda* 49PheCd* 2.49232e+06 4.55063e+07 29.59490 50.01415 209.34046 1.00000 None parabolic box sum 1454 1839 6.91171 3.84929 131.91789 49PheHd* 79IleHa 49PheCd* 2.44338e+06 4.60650e+07 29.77610 59.96259 168.91056 1.00000 None parabolic box sum 1455 1840 6.91412 4.29513 131.84755 49PheHd* 49PheHa 49PheCd* 1.13954e+07 2.04221e+08 29.99753 52.63365 160.09106 1.00000 None parabolic box sum 1456 1841 6.91293 5.09627 131.84191 49PheHd* 83ProHa 49PheCd* 3.59440e+06 6.12211e+07 27.53973 44.00929 169.65985 1.00000 None parabolic box sum 1457 1842 6.91408 7.38831 131.80774 49PheHd* 54PheHd* 49PheCd* 5.14611e+06 9.97727e+07 31.45516 78.02774 160.72429 1.00000 None parabolic box sum 1458 1843 6.91588 7.23189 131.84597 49PheHd* 54PheHe* 49PheCd* 4.66239e+06 8.40916e+07 31.87537 61.31435 158.64538 1.00000 None parabolic box sum 1459 1844 6.91377 8.21006 131.85764 49PheHd* 49PheH 49PheCd* 6.15505e+06 1.10108e+08 29.32131 51.28996 157.38558 1.00000 None parabolic box sum 1460 1848 7.70238 6.62547 139.48855 91HisHe1 95GlnHe2b 91HisCe1 3.26994e+06 5.46833e+07 28.09495 49.09559 126.61967 1.00000 None parabolic box sum 1461 1849 7.70384 6.41108 139.50020 91HisHe1 95GlnHe2a 91HisCe1 3.39281e+06 5.50117e+07 26.46506 46.28796 127.28252 1.00000 None parabolic box sum 1462 1852 4.11856 7.67135 64.66975 58ThrHa 61GluH 58ThrCa 1.84171e+07 3.07445e+08 27.96829 48.76821 140.51523 1.00000 None parabolic box sum 1463 1854 4.39122 8.81213 58.02754 64AspHa 64AspH 64AspCa 1.77470e+07 3.21445e+08 29.65212 73.64289 135.89708 1.00000 None parabolic box sum 1464 1855 4.39150 6.89217 57.98379 64AspHa 67GlnHe2a 64AspCa 6.94344e+06 1.22455e+08 31.68881 52.26117 142.35294 1.00000 None parabolic box sum 1465 1856 4.39126 7.43089 58.03738 64AspHa 67GlnHe2b 64AspCa 1.12980e+07 1.94468e+08 29.19436 50.96496 138.15311 1.00000 None parabolic box sum 1466 1857 4.39128 8.28063 57.93429 64AspHa 68ThrH 64AspCa 2.97200e+06 5.94070e+07 51.27370 51.49899 178.78431 1.00000 None parabolic box sum 1467 1858 4.39522 7.65191 57.99853 64AspHa 63ArgH 64AspCa 1.68526e+06 2.94684e+07 44.52288 45.01972 166.68354 1.00000 None parabolic box sum 1468 1859 4.38910 7.05416 57.96877 64AspHa 63ArgHe 64AspCa 3.25415e+06 5.94988e+07 29.80590 56.81772 150.45730 1.00000 None parabolic box sum 1469 1860 4.39326 4.16832 58.02241 64AspHa 61GluHa 64AspCa 3.73518e+06 4.49009e+07 22.00603 31.29025 125.87280 1.00000 None parabolic box sum 1470 1862 4.38847 2.97432 58.01336 64AspHa 64AspHbb 64AspCa 1.89679e+07 3.70276e+08 40.42208 68.40200 156.03873 1.00000 None parabolic box sum 1471 1863 4.39159 2.76150 58.04169 64AspHa 64AspHba 64AspCa 2.36251e+07 4.20585e+08 29.57284 58.73865 138.79419 1.00000 None parabolic box sum 1472 1865 4.39114 2.28251 58.03053 64AspHa 67GlnHba 64AspCa 7.97296e+06 1.43142e+08 30.82871 58.61522 142.61227 1.00000 None parabolic box sum 1473 1866 3.99058 9.29842 58.33932 28LeuHa 29AspH 28LeuCa 5.59812e+06 9.98880e+07 30.07889 47.52948 257.23696 1.00000 None parabolic box sum 1474 1867 3.98915 8.90426 58.27779 28LeuHa 31AlaH 28LeuCa 7.69879e+06 1.29630e+08 30.71785 46.22655 139.65894 1.00000 None parabolic box sum 1475 1868 3.99186 8.75423 58.24457 28LeuHa 32AlaH 28LeuCa 4.08034e+06 7.33022e+07 109.86567 48.71804 134.52091 1.00000 None parabolic box sum 1476 1869 3.99043 8.37955 58.30680 28LeuHa 28LeuH 28LeuCa 1.69994e+07 3.02284e+08 30.73096 50.29804 183.83771 1.00000 None parabolic box sum 1477 1870 3.99208 1.29480 58.26426 28LeuHa 40ThrHg2* 28LeuCa 4.77423e+06 8.45988e+07 84.10573 48.47367 160.95249 1.00000 None parabolic box sum 1478 1871 3.98884 1.14471 58.28985 28LeuHa 27ValHga* 28LeuCa 6.63160e+06 1.20067e+08 30.35843 53.99615 153.30907 1.00000 None parabolic box sum 1479 1873 3.99020 1.68090 58.28097 28LeuHa 31AlaHb* 28LeuCa 3.00082e+07 5.33661e+08 31.00574 104.04216 143.82250 1.00000 None parabolic box sum 1480 1874 3.99027 1.57926 58.31766 28LeuHa 28LeuHba 28LeuCa 1.86987e+07 3.45422e+08 29.62947 124.85521 247.96923 1.00000 None parabolic box sum 1481 1876 3.99305 0.89954 58.27560 28LeuHa (28Leu/43Leu)Hdb* 28LeuCa 2.01028e+07 3.73922e+08 83.83870 123.14590 268.06766 1.00000 None parabolic box sum 1482 1877 3.98989 0.78820 58.26835 28LeuHa 28LeuHda* 28LeuCa 4.23900e+07 7.46943e+08 31.37231 52.11485 141.85996 1.00000 None parabolic box sum 1483 1878 4.05891 0.24206 58.05072 62LeuHa 62LeuHda* 62LeuCa 6.83483e+06 1.23805e+08 33.97226 52.63484 135.65407 1.00000 None parabolic box sum 1484 1879 4.05833 0.87885 58.03425 62LeuHa 62LeuHdb* 62LeuCa 5.81664e+07 1.07799e+09 35.43556 59.73245 136.25948 1.00000 None parabolic box sum 1485 1880 4.06039 1.49242 57.99381 62LeuHa 62LeuHba 62LeuCa 1.58437e+07 2.99579e+08 37.05859 60.54032 138.95046 1.00000 None parabolic box sum 1486 1881 4.05810 1.28335 58.04047 62LeuHa 62LeuHg 62LeuCa 9.16655e+06 1.71603e+08 77.52419 64.11063 133.42584 1.00000 None parabolic box sum 1487 1882 4.05887 1.81108 57.99778 62LeuHa 62LeuHbb 62LeuCa 1.40486e+07 2.70345e+08 73.04966 63.28245 143.12127 1.00000 None parabolic box sum 1488 1883 4.05805 3.20506 58.02642 62LeuHa 65HisHba 62LeuCa 9.24129e+06 1.65729e+08 32.82964 56.01523 135.45579 1.00000 None parabolic box sum 1489 1884 4.05772 3.62381 58.04969 62LeuHa 65HisHbb 62LeuCa 6.56534e+06 1.23949e+08 35.60901 61.78258 144.90034 1.00000 None parabolic box sum 1490 1885 4.05987 7.19047 58.05301 62LeuHa 54PheHe* 62LeuCa 4.74309e+06 8.40119e+07 67.01529 57.56248 138.20056 1.00000 None parabolic box sum 1491 1886 4.05788 8.74280 58.02248 62LeuHa 66LeuH 62LeuCa 7.49109e+06 1.42048e+08 78.11785 67.33911 140.96196 1.00000 None parabolic box sum 1492 1887 4.05877 8.49224 58.04315 62LeuHa 62LeuH 62LeuCa 1.42421e+07 2.49452e+08 32.23360 48.40439 136.44839 1.00000 None parabolic box sum 1493 1888 4.47447 8.36498 57.76766 57LeuHa 57LeuH 57LeuCa 1.68646e+07 2.94303e+08 30.44844 47.20184 146.11994 1.00000 None parabolic box sum 1494 1889 4.47339 8.99522 57.69870 57LeuHa 58ThrH 57LeuCa 5.79628e+06 9.91273e+07 27.85802 61.62665 131.33666 1.00000 None parabolic box sum 1495 1890 4.47532 7.19996 57.75052 57LeuHa 60LeuH 57LeuCa 8.15588e+06 1.43158e+08 30.62844 53.61531 139.86901 1.00000 None parabolic box sum 1496 1891 4.47347 2.06844 57.73661 57LeuHa 57LeuHbb 57LeuCa 2.35709e+07 4.20398e+08 31.89564 52.97646 139.25604 1.00000 None parabolic box sum 1497 1892 4.47306 1.92139 57.72150 57LeuHa 60Leu(Hg/Hbb) 57LeuCa 1.56806e+07 2.82923e+08 31.25131 58.44759 134.16546 1.00000 None parabolic box sum 1498 1893 4.47363 1.74781 57.72816 57LeuHa 57LeuHba 57LeuCa 4.49926e+07 7.88973e+08 30.93839 51.40612 135.24935 1.00000 None parabolic box sum 1499 1894 4.47366 0.94200 57.72751 57LeuHa 57LeuHda* 57LeuCa 4.27779e+07 7.65097e+08 31.10647 66.34312 131.13717 1.00000 None parabolic box sum 1500 1895 4.50518 8.73218 59.09643 65HisHa 65HisH 65HisCa 1.96721e+07 3.47024e+08 29.84047 57.69457 135.90040 1.00000 None parabolic box sum 1501 1896 4.50224 8.28677 59.09424 65HisHa 68ThrH 65HisCa 7.36542e+06 1.24354e+08 29.45840 47.77071 135.19010 1.00000 None parabolic box sum 1502 1897 4.50478 3.61400 59.08602 65HisHa 65HisHbb 65HisCa 2.14843e+07 3.75986e+08 29.27303 55.76359 136.37706 1.00000 None parabolic box sum 1503 1898 4.50468 4.27139 59.07310 65HisHa 68ThrHb 65HisCa 1.48057e+07 2.39705e+08 29.09482 42.72423 137.03023 1.00000 None parabolic box sum 1504 1899 4.50331 1.26046 59.07810 65HisHa 68ThrHg2* 65HisCa 6.80516e+06 1.17396e+08 29.81484 45.92584 143.28993 1.00000 None parabolic box sum 1505 1900 4.33088 3.92107 58.90732 96IleHa 97ProHdb 96IleCa 4.45385e+07 7.58249e+08 28.82302 49.90983 141.17687 1.00000 None parabolic box sum 1506 1901 4.33070 3.67901 58.90682 96IleHa 97ProHda 96IleCa 3.62343e+07 6.15752e+08 28.52142 50.93271 141.93069 1.00000 None parabolic box sum 1507 1903 4.33097 7.30957 58.91988 96IleHa 96IleH 96IleCa 1.72727e+07 2.94603e+08 29.57940 47.56367 143.60548 1.00000 None parabolic box sum 1508 1904 4.34105 7.96010 58.49253 26LeuHa 27ValH 26LeuCa 6.13553e+06 1.08341e+08 30.26247 49.69244 137.29954 1.00000 None parabolic box sum 1509 1905 4.34346 7.79378 58.47702 26LeuHa 26LeuH 26LeuCa 2.17476e+07 3.74111e+08 30.62963 47.34797 135.84781 1.00000 None parabolic box sum 1510 1907 4.33930 9.30274 58.53134 26LeuHa 29AspH 26LeuCa 5.56246e+06 9.71903e+07 30.97057 46.24347 352.09117 1.00000 None parabolic box sum 1511 1908 4.34849 3.84168 52.55023 38AlaHa 39SerHba 38AlaCa 2.20723e+06 3.01772e+07 25.22707 32.69177 141.84273 1.00000 None parabolic box sum 1512 1910 4.44630 8.54948 53.45931 72LeuHa 73AsnH 72LeuCa 3.35048e+07 5.92649e+08 32.99177 48.13722 137.69912 1.00000 None parabolic box sum 1513 1911 4.44730 7.74134 53.45462 72LeuHa 72LeuH 72LeuCa 9.80915e+06 1.68356e+08 30.79832 49.74748 138.99640 1.00000 None parabolic box sum 1514 1912 4.44593 2.71329 53.50992 72LeuHa 73AsnHbb 72LeuCa 4.74429e+06 8.28787e+07 31.21793 56.38671 126.77382 1.00000 None parabolic box sum 1515 1913 4.44596 1.56907 53.45766 72LeuHa 72LeuHbb 72LeuCa 1.17963e+07 2.14646e+08 30.89428 124.33521 137.84058 1.00000 None parabolic box sum 1516 1915 4.44618 1.23409 53.42529 72LeuHa 72LeuHba 72LeuCa 1.84162e+07 3.38620e+08 31.39973 57.51112 151.67931 1.00000 None parabolic box sum 1517 1916 4.44625 0.85071 53.44296 72LeuHa 72LeuHda* 72LeuCa 5.06703e+07 9.15793e+08 32.04286 53.55858 145.52510 1.00000 None parabolic box sum 1518 1917 4.12662 0.79434 54.01794 12AlaHa (11Leu/99Ile)(Hdb*/Hd1*) 12AlaCa 2.38669e+06 4.31598e+07 27.24826 135.63103 132.38790 1.00000 None None box sum 1519 1926 4.22065 1.74343 54.64143 87AlaHa 87AlaHb* 87AlaCa 5.94821e+07 1.03547e+09 31.56424 48.91403 135.08341 1.00000 None parabolic box sum 1520 1927 4.21956 2.10236 54.66879 87AlaHa 90Glu(Hbb/Hga) 87AlaCa 1.49517e+07 2.69235e+08 30.29943 135.28463 143.67591 1.00000 None parabolic box sum 1521 1930 4.22117 6.85443 54.66922 87AlaHa 86HisHd2 87AlaCa 3.63387e+06 6.21555e+07 29.38032 46.99649 139.93581 1.00000 None parabolic box sum 1522 1931 4.22035 7.81566 54.63317 87AlaHa 90GluH 87AlaCa 8.80157e+06 1.51858e+08 29.76477 53.67832 135.91310 1.00000 None parabolic box sum 1523 1932 4.22037 8.55555 54.65957 87AlaHa 88ValH 87AlaCa 9.09030e+06 1.55379e+08 30.75838 47.55003 136.20901 1.00000 None parabolic box sum 1524 1933 4.22168 8.26168 54.65227 87AlaHa 87AlaH 87AlaCa 1.29637e+07 2.22467e+08 30.30539 49.15980 133.21608 1.00000 None parabolic box sum 1525 1935 4.34559 2.25688 54.96782 11LeuHa 19GlnHga 11LeuCa 3.86286e+06 7.45796e+07 29.66046 59.93074 263.37243 1.00000 None parabolic box sum 1526 1936 4.34511 1.92925 54.98248 11LeuHa 10LysHba 11LeuCa 1.47600e+07 2.87917e+08 31.81040 67.73190 248.79166 1.00000 None parabolic box sum 1527 1938 4.35143 1.49927 54.92890 11LeuHa 11LeuHba 11LeuCa 1.39421e+07 2.77180e+08 31.14045 69.20708 188.04117 1.00000 None parabolic box sum 1528 1939 3.85579 8.75812 55.31341 32AlaHa 32AlaH 32AlaCa 2.04551e+07 3.46950e+08 29.38986 48.31410 137.87836 1.00000 None parabolic box sum 1529 1940 3.85603 8.90971 55.30373 32AlaHa 31AlaH 32AlaCa 1.84631e+06 2.62544e+07 21.74079 44.26113 149.20173 1.00000 None parabolic box sum 1530 1941 3.85467 8.19674 55.30844 32AlaHa 37TyrH 32AlaCa 5.33233e+06 9.40912e+07 29.81603 53.86516 145.45135 1.00000 None parabolic box sum 1531 1942 3.85321 8.02315 55.30632 32AlaHa 34ValH 32AlaCa 2.28923e+06 4.10351e+07 32.60732 49.88813 145.00522 1.00000 None parabolic box sum 1532 1943 3.85859 7.78433 55.33703 32AlaHa 36GlyH 32AlaCa 1.77108e+06 3.07388e+07 65.36067 143.57841 139.62418 1.00000 None parabolic box sum 1533 1944 3.85748 7.66072 55.39450 32AlaHa 35LeuH 32AlaCa 1.59803e+07 2.82906e+08 30.54321 54.26660 139.50086 1.00000 None parabolic box sum 1534 1945 3.85759 7.03126 55.32552 32AlaHa 37TyrHd* 32AlaCa 9.17017e+06 1.56448e+08 29.81544 48.73446 134.94921 1.00000 None parabolic box sum 1535 1946 3.85908 6.85059 55.23523 32AlaHa 37TyrHe* 32AlaCa 2.67859e+06 4.54729e+07 26.12710 57.39446 144.56454 1.00000 None parabolic box sum 1536 1947 3.85728 3.34066 55.30652 32AlaHa 37TyrHbb 32AlaCa 4.19919e+06 7.02013e+07 28.42069 46.98893 137.90073 1.00000 None parabolic box sum 1537 1948 3.85572 2.92795 55.32285 32AlaHa 37TyrHba 32AlaCa 7.30816e+06 1.33650e+08 31.57079 62.57890 139.32253 1.00000 None parabolic box sum 1538 1949 3.85581 1.52677 55.32896 32AlaHa 32AlaHb* 32AlaCa 5.82511e+07 1.02673e+09 32.65142 59.02094 137.22730 1.00000 None parabolic box sum 1539 1950 3.85547 1.67155 55.32605 32AlaHa 31AlaHb* 32AlaCa 6.00717e+06 9.39514e+07 31.49927 135.78034 145.31080 1.00000 None parabolic box sum 1540 1951 3.85261 1.17450 55.38219 32AlaHa 35LeuHba 32AlaCa 5.71964e+06 1.07082e+08 62.26480 283.57437 141.48698 1.00000 None parabolic box sum 1541 1953 3.85848 0.63383 55.43224 32AlaHa 35LeuHdb* 32AlaCa 1.54222e+07 2.71617e+08 29.78683 55.16675 144.22118 1.00000 None parabolic box sum 1542 1954 3.86105 0.24168 55.58457 59AlaHa 62LeuHda* 59AlaCa 5.06858e+06 8.47305e+07 28.62930 50.31357 137.17894 1.00000 None parabolic box sum 1543 1955 3.86063 0.01068 55.59691 59AlaHa 79IleHd1* 59AlaCa 2.07733e+07 3.53344e+08 29.16992 52.65595 135.29166 1.00000 None parabolic box sum 1544 1956 3.85572 1.02659 55.54096 59AlaHa 34ValHgb* 59AlaCa 3.62249e+06 6.68564e+07 72.76058 306.70512 153.86159 1.00000 None parabolic box sum 1545 1957 3.85832 1.41035 55.56549 59AlaHa 59AlaHb* 59AlaCa 6.27340e+07 1.14003e+09 62.84297 56.15697 141.52657 1.00000 None parabolic box sum 1546 1959 3.86026 1.80782 55.59418 59AlaHa 62LeuHbb 59AlaCa 8.71902e+06 1.52279e+08 31.39555 66.68792 130.39241 1.00000 None parabolic box sum 1547 1960 3.85811 2.67503 55.59802 59AlaHa 54PheHba 59AlaCa 2.76594e+06 4.88203e+07 30.42340 57.86707 135.18406 1.00000 None parabolic box sum 1548 1961 3.85775 4.18025 55.52131 59AlaHa {*}H* 59AlaCa 5.82380e+06 9.92645e+07 29.91199 94.86535 144.48776 1.00000 None parabolic box sum 1549 1962 3.85558 4.09646 55.51416 59AlaHa (54Phe/58Thr)Ha 59AlaCa 5.96873e+06 1.04687e+08 63.76445 94.06545 147.69469 1.00000 None parabolic box sum 1550 1963 3.85631 4.27930 55.48665 32AlaHa 40ThrHa 32AlaCa 2.91031e+06 5.33351e+07 30.93183 195.39693 142.78093 1.00000 None parabolic box sum 1551 1964 3.86065 7.39889 55.59893 59AlaHa 54PheHd* 59AlaCa 1.27219e+07 2.21735e+08 29.43039 59.57916 133.27865 1.00000 None parabolic box sum 1552 1965 3.86149 7.20942 55.57571 59AlaHa 54PheHe* 59AlaCa 1.06446e+07 1.88137e+08 29.12700 59.45056 138.27552 1.00000 None parabolic box sum 1553 1966 3.85827 8.49860 55.63856 59AlaHa 62LeuH 59AlaCa 6.30518e+06 1.15362e+08 35.19237 56.33385 135.46757 1.00000 None parabolic box sum 1554 1967 3.79854 8.55689 55.86000 89AlaHa 89AlaH 89AlaCa 1.89024e+07 3.22014e+08 30.20823 48.18271 135.21247 1.00000 None parabolic box sum 1555 1968 3.79952 8.43629 55.84758 89AlaHa 92LeuH 89AlaCa 7.07914e+06 1.22758e+08 30.67493 128.59583 136.69957 1.00000 None parabolic box sum 1556 1969 3.79856 7.81444 55.85916 89AlaHa 90GluH 89AlaCa 4.64863e+06 8.22504e+07 30.03299 60.94067 135.18406 1.00000 None parabolic box sum 1557 1972 3.79734 2.30779 55.86328 89AlaHa 88ValHb 89AlaCa 2.91966e+06 5.24501e+07 28.82540 383.71814 135.26688 1.00000 None parabolic box sum 1558 1974 3.79842 1.96986 55.83936 89AlaHa 92LeuHbb 89AlaCa 1.01062e+07 1.81712e+08 31.35622 62.70154 133.15865 1.00000 None parabolic box sum 1559 1976 3.79952 1.40507 55.83232 89AlaHa 89AlaHb* 89AlaCa 4.61736e+07 8.37622e+08 69.05913 49.32892 137.41833 1.00000 None parabolic box sum 1560 1977 3.79773 1.23633 55.84859 89AlaHa 23ThrHg2* 89AlaCa 2.97252e+07 5.14984e+08 30.33161 51.11387 134.57895 1.00000 None parabolic box sum 1561 1978 3.79745 1.08533 55.84798 89AlaHa 92LeuHdb* 89AlaCa 2.34293e+07 4.08239e+08 30.37035 51.83096 134.10199 1.00000 None parabolic box sum 1562 1979 3.79863 0.90469 55.82710 89AlaHa 88ValHga* 89AlaCa 9.33504e+06 1.67632e+08 60.97794 164.64061 139.15841 1.00000 None parabolic box sum 1563 1980 3.79801 0.74699 55.84604 89AlaHa (66Leu/92Leu)Hda* 89AlaCa 2.33532e+07 4.20951e+08 31.23760 61.47082 133.86260 1.00000 None parabolic box sum 1564 1981 4.09529 2.88417 56.00314 81AspHa 80PheHba 81AspCa 1.67005e+06 3.19383e+07 83.93407 191.34325 126.58733 1.00000 None parabolic box sum 1565 1982 4.09140 3.23036 55.86077 81AspHa 80PheHbb 81AspCa 1.76774e+06 3.13755e+07 35.39681 52.58706 142.52613 1.00000 None parabolic box sum 1566 1983 4.11307 3.71524 55.59434 21AlaHa 22ValHa 21AlaCa 2.76964e+06 4.71368e+07 31.35145 63.52613 127.92602 1.00000 None parabolic box sum 1567 1984 4.17127 3.85424 55.72516 16AlaHa 19GlnHa 16AlaCa 4.08424e+06 6.54215e+07 32.67050 38.85849 131.45182 1.00000 None parabolic box sum 1568 1985 4.16603 2.86574 55.80998 16AlaHa 19GlnHgb 16AlaCa 5.80649e+06 1.03477e+08 29.70815 59.80890 139.49361 1.00000 None parabolic box sum 1569 1986 4.16566 2.46904 55.78066 16AlaHa 19GlnHbb 16AlaCa 1.47981e+07 2.61519e+08 28.88858 62.00516 143.11915 1.00000 None parabolic box sum 1570 1987 4.18541 1.68282 55.83850 31AlaHa 31AlaHb* 31AlaCa 4.71963e+07 8.20216e+08 31.40330 46.90452 138.89303 1.00000 None parabolic box sum 1571 1988 4.16466 1.53347 55.78830 16AlaHa 16AlaHb* 16AlaCa 6.84007e+07 1.23379e+09 36.25333 48.77109 139.09131 1.00000 None parabolic box sum 1572 1989 4.18659 0.24226 55.83890 31AlaHa 62LeuHda* 31AlaCa 1.13434e+07 2.00076e+08 30.44963 54.62485 138.92325 1.00000 None parabolic box sum 1573 1990 4.18563 0.88834 55.81194 31AlaHa 62LeuHdb* 31AlaCa 3.96772e+07 7.04782e+08 30.04909 57.14202 138.79087 1.00000 None parabolic box sum 1574 1991 4.18573 7.21732 55.83163 31AlaHa 54PheHe* 31AlaCa 7.81542e+06 1.39366e+08 30.41863 61.29723 149.07750 1.00000 None parabolic box sum 1575 1992 4.17609 8.01638 55.82565 31AlaHa 34ValH 31AlaCa 8.55388e+06 1.64094e+08 90.00421 53.26045 137.42981 1.00000 None parabolic box sum 1576 1993 4.18608 8.90679 55.85098 31AlaHa 31AlaH 31AlaCa 1.70731e+07 2.94787e+08 31.67093 47.33722 133.99892 1.00000 None parabolic box sum 1577 1994 4.18667 8.76188 55.85605 31AlaHa 32AlaH 31AlaCa 5.62920e+06 9.45606e+07 31.53265 44.92596 137.84330 1.00000 None parabolic box sum 1578 1996 4.32019 7.51843 55.89901 47GluHa 47GluH 47GluCa 9.83186e+06 1.74741e+08 31.12495 52.71209 135.92065 1.00000 None parabolic box sum 1579 1997 4.31833 2.99440 55.86957 47GluHa 51AspHbb 47GluCa 3.10411e+06 5.46293e+07 35.86769 54.92904 134.05816 1.00000 None parabolic box sum 1580 1998 4.32778 2.81887 55.83582 47GluHa 44AspHbb 47GluCa 3.09135e+06 5.85092e+07 33.30112 54.81199 142.62769 1.00000 None parabolic box sum 1581 1999 4.31978 2.06799 55.88824 47GluHa 47GluHbb 47GluCa 2.08148e+07 3.62251e+08 30.89130 57.06000 137.28896 1.00000 None parabolic box sum 1582 2000 4.31985 1.94356 55.87080 47GluHa 47GluHba 47GluCa 1.84701e+07 3.46329e+08 31.76570 186.45424 161.24114 1.00000 None parabolic box sum 1583 2001 4.34375 8.22241 55.77489 52LeuHa 52LeuH 52LeuCa 1.35973e+07 2.40399e+08 30.37155 53.19048 141.34371 1.00000 None parabolic box sum 1584 2002 4.34124 8.11550 55.77890 52LeuHa 54PheH 52LeuCa 1.82639e+06 3.97113e+07 46.34559 133.24395 145.07112 1.00000 None parabolic box sum 1585 2003 4.34444 7.77024 55.75684 52LeuHa 53GlyH 52LeuCa 5.82469e+06 9.98572e+07 29.74391 48.77677 138.06455 1.00000 None parabolic box sum 1586 2004 4.34471 1.83440 55.75189 52LeuHa 52LeuHba 52LeuCa 3.53345e+07 6.53074e+08 30.63560 63.89642 151.58985 1.00000 None parabolic box sum 1587 2006 4.34581 0.63065 55.70931 52LeuHa 35LeuHdb* 52LeuCa 3.30870e+06 5.83992e+07 32.39512 53.68280 138.74402 1.00000 None parabolic box sum 1588 2008 4.61109 2.96132 56.07878 46HisHa 46HisHba 46HisCa 1.40631e+07 2.72000e+08 39.66510 63.76940 139.49028 1.00000 None parabolic box sum 1589 2009 4.61275 3.29171 56.07485 46HisHa 46HisHbb 46HisCa 2.07088e+07 3.62287e+08 30.30598 52.76584 137.07829 1.00000 None parabolic box sum 1590 2010 4.62393 1.00421 56.55818 48SerHa (84Thr/52Leu)(Hg2*/Hdb*) 48SerCa 3.09326e+07 5.40701e+08 30.40910 46.66323 155.54666 1.00000 None parabolic box sum 1591 2011 4.62498 4.40773 56.55904 48SerHa 48SerHbb 48SerCa 2.30858e+07 4.18564e+08 29.55019 61.06390 147.44110 1.00000 None parabolic box sum 1592 2012 4.61308 7.51809 56.05876 46HisHa 47GluH 46HisCa 7.02183e+06 1.25367e+08 30.75898 51.49610 136.50250 1.00000 None parabolic box sum 1593 2013 4.61176 6.97379 56.16182 46HisHa 46HisHd2 46HisCa 3.44708e+06 6.09277e+07 30.51460 48.79936 162.79443 1.00000 None parabolic box sum 1594 2014 4.61441 8.53739 56.10277 46HisHa 46HisH 46HisCa 6.61585e+06 1.16377e+08 32.74381 53.53757 129.85319 1.00000 None parabolic box sum 1595 2015 4.62535 2.50544 56.59836 48SerHa 85ProHda 48SerCa 3.42236e+06 5.97332e+07 32.71461 52.26575 152.18801 1.00000 None parabolic box sum 1596 2016 4.62561 4.03990 56.63495 48SerHa 48SerHba 48SerCa 1.36007e+07 2.31084e+08 28.75686 50.54888 140.15011 1.00000 None parabolic box sum 1597 2017 4.62528 8.21039 56.65983 48SerHa 49PheH 48SerCa 2.52875e+07 4.24219e+08 29.36304 47.63932 134.24828 1.00000 None parabolic box sum 1598 2018 4.62596 8.90800 56.69227 48SerHa 48SerH 48SerCa 8.52996e+06 1.49679e+08 30.15757 55.14415 132.56532 1.00000 None parabolic box sum 1599 2019 4.72067 8.37921 57.06709 39SerHa 40ThrH 39SerCa 5.70630e+06 9.72079e+07 28.45824 51.32987 148.11422 1.00000 None parabolic box sum 1600 2020 4.71896 8.02513 57.02088 39SerHa 39SerH 39SerCa 3.39116e+06 5.22924e+07 23.67437 49.58185 131.21364 1.00000 None parabolic box sum 1601 2021 4.72086 3.84167 57.10032 39SerHa 39SerHba 39SerCa 2.24180e+07 3.51602e+08 25.14303 46.19340 139.20284 1.00000 None parabolic box sum 1602 2022 4.72132 4.05594 57.08014 39SerHa 39SerHbb 39SerCa 2.90116e+07 4.55185e+08 25.40231 46.49720 132.85942 1.00000 None parabolic box sum 1603 2023 4.72010 1.50207 57.09247 39SerHa 38AlaHb* 39SerCa 5.56825e+06 8.02387e+07 21.68238 50.57994 145.10316 1.00000 None parabolic box sum 1604 2024 4.72237 1.29680 57.09126 39SerHa 40ThrHg2* 39SerCa 5.34216e+06 7.58927e+07 22.37797 40.47900 141.02876 1.00000 None parabolic box sum 1605 2026 4.23622 4.00290 56.90543 6LeuHa 9SerHba 6LeuCa 8.48931e+06 1.23907e+08 27.66430 35.58361 148.94874 1.00000 None parabolic box sum 1606 2027 4.23642 1.68179 56.90088 6LeuHa 6LeuHbb 6LeuCa 3.09660e+07 5.94732e+08 28.48744 108.61782 160.71099 1.00000 None parabolic box sum 1607 2028 4.23769 1.58379 56.90088 6LeuHa 6LeuHba 6LeuCa 3.03657e+07 6.06191e+08 31.00991 109.47705 202.60683 1.00000 None parabolic box sum 1608 2029 4.23536 0.89741 56.92607 6LeuHa 6LeuHda* 6LeuCa 5.02785e+07 9.09447e+08 30.62963 54.09609 151.19510 1.00000 None parabolic box sum 1609 2030 4.53525 8.22394 57.15456 51AspHa 52LeuH 51AspCa 6.75603e+06 1.16332e+08 30.93719 46.21659 131.33001 1.00000 None parabolic box sum 1610 2031 4.53390 8.09186 57.13907 51AspHa 51AspH 51AspCa 1.68092e+07 3.01277e+08 31.56543 48.77607 142.97045 1.00000 None parabolic box sum 1611 2032 4.53261 7.77159 57.13364 51AspHa 53GlyH 51AspCa 4.63611e+06 8.10522e+07 33.22601 49.52053 134.70619 1.00000 None parabolic box sum 1612 2033 4.53803 4.30846 57.10714 51AspHa 50LysHa 51AspCa 3.23454e+06 4.37884e+07 26.65997 29.36435 139.46882 1.00000 None parabolic box sum 1613 2034 4.53229 2.99279 57.12926 51AspHa 51AspHbb 51AspCa 1.57594e+07 2.77703e+08 28.53334 59.80532 137.70728 1.00000 None parabolic box sum 1614 2035 4.53340 2.83584 57.12227 51AspHa 51AspHba 51AspCa 2.53420e+07 4.48875e+08 29.92272 54.45364 141.51146 1.00000 None parabolic box sum 1615 2036 4.53150 2.33310 57.03766 51AspHa (47Glu/52Leu)(Hga/Hbb) 51AspCa 2.03119e+06 3.52543e+07 29.12462 66.60829 133.11785 1.00000 None parabolic box sum 1616 2037 4.53462 1.50989 57.14871 51AspHa 50LysHga 51AspCa 2.92155e+06 4.93623e+07 29.91199 43.38040 146.02957 1.00000 None parabolic box sum 1617 2038 4.53094 1.84529 57.15886 51AspHa (50Lys/52Leu)Hba 51AspCa 3.46399e+06 7.03986e+07 33.96809 155.47097 132.21894 1.00000 None parabolic box sum 1618 2039 4.15629 1.03327 57.18455 60LeuHa 60LeuHda* 60LeuCa 3.62930e+07 6.90854e+08 32.37069 66.22048 145.71401 1.00000 None parabolic box sum 1619 2041 4.15594 2.30689 57.17980 60LeuHa 63ArgHbb 60LeuCa 1.02953e+07 1.92818e+08 35.44450 60.07607 148.75288 1.00000 None parabolic box sum 1620 2046 4.39216 4.03721 57.43993 75SerHa 75SerHbb 75SerCa 2.65987e+07 4.52505e+08 29.27005 50.84511 134.72766 1.00000 None parabolic box sum 1621 2047 4.18268 8.33251 57.63083 7LeuHa 7LeuH 7LeuCa 1.85951e+07 3.64166e+08 54.17287 59.81408 189.53673 1.00000 None parabolic box sum 1622 2052 4.20640 2.96203 57.67058 30GlnHa 29AspHbb 30GlnCa 3.48899e+06 6.06389e+07 36.47625 44.67880 130.57649 1.00000 None parabolic box sum 1623 2056 4.21265 7.74521 57.85173 10LysHa 10LysH 10LysCa 2.07219e+07 3.71005e+08 32.87375 47.68760 305.51914 1.00000 None parabolic box sum 1624 2057 4.21226 7.61031 57.83332 10LysHa 11LeuH 10LysCa 8.88081e+06 1.57055e+08 37.53483 43.71445 346.23045 1.00000 None parabolic box sum 1625 2058 4.21567 7.33674 57.86279 10LysHa 12AlaH 10LysCa 3.29264e+06 5.34445e+07 25.86842 44.38177 150.00301 1.00000 None parabolic box sum 1626 2059 4.34265 8.30020 58.47327 26LeuHa 30GlnH 26LeuCa 3.10712e+06 5.61947e+07 34.78169 62.14680 331.17695 1.00000 None parabolic box sum 1627 2060 4.33953 7.65433 58.51419 26LeuHa 25LysH 26LeuCa 1.64175e+06 2.64862e+07 37.30118 33.87361 334.15809 1.00000 None parabolic box sum 1628 2061 4.34505 2.97362 58.45808 26LeuHa 29AspHbb 26LeuCa 1.24070e+07 2.45295e+08 54.77071 60.41849 324.49984 1.00000 None parabolic box sum 1629 2062 4.47684 3.83314 58.53877 42SerHa 42SerHba 42SerCa 5.92950e+07 1.00420e+09 26.86560 56.89636 138.42635 1.00000 None parabolic box sum 1630 2064 4.49874 2.01952 59.19892 65HisHa {*}(Hbb/Hba/Hga) 65HisCa 3.24474e+06 6.50352e+07 32.48096 52.01690 321.57341 1.00000 None parabolic box sum 1631 2065 4.47646 7.92965 58.55840 42SerHa 43LeuH 42SerCa 2.81466e+07 4.53437e+08 25.87974 50.12016 133.94784 1.00000 None parabolic box sum 1632 2066 3.87672 7.81516 58.97970 90GluHa 90GluH 90GluCa 1.95736e+07 3.36162e+08 29.44529 55.41550 137.30952 1.00000 None parabolic box sum 1633 2067 3.87645 7.68037 58.98811 90GluHa 93LeuH 90GluCa 8.12967e+06 1.59512e+08 38.18929 172.57147 127.00293 1.00000 None parabolic box sum 1634 2068 3.87537 2.10032 58.98009 90GluHa 90GluHbb 90GluCa 3.89536e+07 7.01535e+08 31.28231 69.76531 138.03795 1.00000 None parabolic box sum 1635 2069 3.87262 1.84059 58.99753 90GluHa 93LeuHbb 90GluCa 1.95262e+07 3.76673e+08 36.66461 235.70392 132.27667 1.00000 None parabolic box sum 1636 2071 3.84389 4.34912 59.16139 19GlnHa 11LeuHa 19GlnCa 3.01669e+06 4.90573e+07 26.76547 50.32989 142.40070 1.00000 None parabolic box sum 1637 2072 3.84411 4.16529 59.11879 19GlnHa (18Glu/16Ala)Ha 19GlnCa 7.93340e+06 1.42001e+08 30.14624 53.93006 142.86949 1.00000 None parabolic box sum 1638 2073 3.84409 2.87114 59.13052 19GlnHa 19GlnHgb 19GlnCa 1.02406e+07 1.83698e+08 29.92511 60.59089 140.33206 1.00000 None parabolic box sum 1639 2074 3.84591 2.46491 59.13420 19GlnHa 19GlnHbb 19GlnCa 1.17585e+07 2.15718e+08 32.60076 68.53698 136.25616 1.00000 None parabolic box sum 1640 2075 3.84488 1.90814 59.04621 19GlnHa 19GlnHba 19GlnCa 2.11197e+07 4.20963e+08 37.31251 165.23029 137.90224 1.00000 None None box sum 1641 2076 3.84139 2.25596 59.04621 19GlnHa 19GlnHga 19GlnCa 1.68533e+07 3.30001e+08 46.09704 59.69742 135.31494 1.00000 None None box sum 1642 2077 3.87862 2.23657 59.04621 90GluHa 90GluHgb 90GluCa 1.58259e+07 3.12357e+08 44.94250 61.99241 136.48980 1.00000 None None box sum 1643 2078 3.87396 1.98647 59.04621 90GluHa 90GluHba 90GluCa 2.28221e+07 4.54607e+08 38.79070 226.49009 141.65896 1.00000 None None box sum 1644 2079 3.84591 1.09186 59.14411 19GlnHa 22ValHgb* 19GlnCa 1.13662e+07 1.95701e+08 32.16982 46.46057 139.28082 1.00000 None parabolic box sum 1645 2080 3.84372 0.88918 59.04621 19GlnHa (14Leu/22Val)(Hda*/Hga*) 19GlnCa 2.11547e+07 4.04503e+08 33.41734 130.26223 135.43493 1.00000 None None box sum 1646 2081 3.84256 0.78216 59.04621 19GlnHa 11LeuHdb* 19GlnCa 4.15616e+07 8.07835e+08 39.39092 68.69226 134.76725 1.00000 None parabolic box sum 1647 2083 3.87513 0.80494 59.04621 90GluHa 93LeuHda* 90GluCa 2.94252e+07 6.07453e+08 46.40937 66.63497 137.39777 1.00000 None None box sum 1648 2084 3.98449 7.79957 59.23864 25LysHa 26LeuH 25LysCa 6.35821e+06 1.07934e+08 31.66497 46.12541 140.98796 1.00000 None parabolic box sum 1649 2085 3.98502 7.67198 59.26254 25LysHa 25LysH 25LysCa 1.89512e+07 3.38158e+08 32.86242 50.62781 138.33386 1.00000 None parabolic box sum 1650 2087 3.98369 3.74071 59.23396 25LysHa 24ArgHa 25LysCa 3.47362e+06 5.73294e+07 28.47612 54.61171 176.09425 1.00000 None parabolic box sum 1651 2088 3.98312 3.08478 59.27817 25LysHa 24ArgHdb 25LysCa 1.98928e+06 3.69668e+07 25.99955 69.13223 172.11899 1.00000 None parabolic box sum 1652 2089 3.98529 1.97897 59.20701 25LysHa 25LysHbb 25LysCa 3.09077e+07 5.88620e+08 31.66199 133.05931 218.83428 1.00000 None parabolic box sum 1653 2090 3.98516 1.89043 59.24170 25LysHa 25LysHba 25LysCa 2.90107e+07 5.55282e+08 31.71802 139.43426 142.53308 1.00000 None parabolic box sum 1654 2091 3.98486 1.50769 59.24327 25LysHa 25LysHga 25LysCa 2.49082e+07 4.64588e+08 31.87418 67.68611 145.98272 1.00000 None parabolic box sum 1655 2092 4.18847 7.67898 59.14533 61GluHa 61GluH 61GluCa 3.12380e+07 5.94674e+08 36.32188 76.36512 151.24739 1.00000 None parabolic box sum 1656 2093 4.18336 7.98175 58.81308 18GluHa 20ArgH 18GluCa 2.31825e+06 4.10260e+07 25.18594 67.57353 335.75581 1.00000 None parabolic box sum 1657 2094 4.18665 8.49669 59.14059 61GluHa 62LeuH 61GluCa 9.42577e+06 1.73390e+08 34.04975 53.73287 147.37823 1.00000 None parabolic box sum 1658 2095 4.18337 9.16303 58.80786 18GluHa 19GlnH 18GluCa 5.56423e+06 9.42274e+07 28.89514 47.60627 131.80818 1.00000 None parabolic box sum 1659 2096 4.21569 8.45087 59.03030 91HisHa 92LeuH 91HisCa 6.86675e+06 1.36045e+08 39.44755 59.59817 136.90903 1.00000 None parabolic box sum 1660 2097 4.21475 7.71670 59.05464 91HisHa 91HisH 91HisCa 2.26636e+07 4.87007e+08 49.88492 70.87687 157.52734 1.00000 None None box sum 1661 2098 4.21609 7.59910 59.05464 91HisHa 94GluH 91HisCa 1.26041e+07 2.71300e+08 50.16923 134.64110 298.47902 1.00000 None None box sum 1662 2099 4.21522 6.62386 59.03753 91HisHa 95GlnHe2b 91HisCa 2.98982e+06 5.15262e+07 28.88978 51.70733 135.46455 1.00000 None parabolic box sum 1663 2100 4.22155 6.19279 59.01598 91HisHa 91HisHd2 91HisCa 2.11140e+06 3.55389e+07 31.09932 41.84927 125.78242 1.00000 None parabolic box sum 1664 2101 4.21869 3.41415 58.98333 91HisHa 88ValHa 91HisCa 2.63138e+06 4.58823e+07 30.14266 51.59963 132.06267 1.00000 None parabolic box sum 1665 2102 4.21254 3.01056 59.04395 91HisHa 91HisHbb 91HisCa 1.76179e+07 3.51554e+08 42.06538 65.08572 139.54590 1.00000 None parabolic box sum 1666 2103 4.21655 2.46235 59.05464 91HisHa 94GluHgb 91HisCa 9.81451e+06 2.21787e+08 49.05283 296.22593 144.21090 1.00000 None None box sum 1667 2104 4.33275 2.29209 58.85779 96IleHa 97ProHbb 96IleCa 4.04195e+06 7.49309e+07 31.33655 60.84890 157.67726 1.00000 None parabolic box sum 1668 2105 4.33084 1.93002 58.92155 96IleHa 96IleHb 96IleCa 1.96877e+07 3.61017e+08 29.21283 137.94514 158.87932 1.00000 None parabolic box sum 1669 2108 4.33486 0.92011 58.72735 96IleHa 96IleHg2* 96IleCa 5.08463e+07 9.18975e+08 31.03554 53.09551 152.00001 1.00000 None parabolic box sum 1670 2109 4.33264 0.74880 58.78725 96IleHa 96IleHd1* 96IleCa 2.01845e+07 3.68325e+08 30.02882 65.47433 143.87812 1.00000 None parabolic box sum 1671 2110 4.34292 1.72695 58.47571 26LeuHa 26LeuHba 26LeuCa 3.02456e+07 5.50444e+08 29.82676 108.81809 137.85901 1.00000 None parabolic box sum 1672 2112 4.34325 2.60849 58.51395 26LeuHa 29AspHba 26LeuCa 5.89361e+06 1.13580e+08 49.52848 58.34526 359.33440 1.00000 None parabolic box sum 1673 2114 4.30872 1.99079 59.80148 50LysHa 50LysHbb 50LysCa 2.91611e+07 5.16375e+08 27.90749 53.06326 157.85317 1.00000 None parabolic box sum 1674 2115 4.30917 1.86377 59.79806 50LysHa 50LysHba 50LysCa 2.04670e+07 3.63251e+08 28.88322 140.61640 138.52760 1.00000 None parabolic box sum 1675 2117 4.30916 1.50924 59.79055 50LysHa 50LysHga 50LysCa 1.02949e+07 1.71588e+08 26.32618 118.21030 145.98453 1.00000 None parabolic box sum 1676 2119 4.31070 3.06994 59.83021 50LysHa 50LysHea 50LysCa 2.50883e+06 4.04077e+07 28.07260 51.25721 129.71174 1.00000 None parabolic box sum 1677 2120 4.30833 2.83906 59.82691 50LysHa 54PheHbb 50LysCa 4.43885e+06 7.75807e+07 29.59907 66.70265 138.36892 1.00000 None parabolic box sum 1678 2121 4.30888 2.68110 59.82926 50LysHa 49PheHba 50LysCa 4.65698e+06 8.42150e+07 30.45082 72.29880 137.31103 1.00000 None parabolic box sum 1679 2124 4.30880 8.14178 59.80202 50LysHa 54PheH 50LysCa 8.85373e+06 1.62114e+08 27.19164 81.61984 139.83425 1.00000 None parabolic box sum 1680 2125 4.30711 7.76848 59.81898 50LysHa 53GlyH 50LysCa 4.00647e+06 6.19911e+07 23.34893 46.72395 585.43700 1.00000 None parabolic box sum 1681 2126 4.31105 7.39275 59.86974 50LysHa 54PheHd* 50LysCa 2.13529e+06 3.33692e+07 24.79494 50.23971 126.28598 1.00000 None parabolic box sum 1682 2129 4.30992 8.82078 59.81716 50LysHa 50LysH 50LysCa 1.50616e+07 2.54493e+08 28.80454 48.91055 132.70617 1.00000 None parabolic box sum 1683 2131 4.50536 2.76379 59.08056 65HisHa 64AspHba 65HisCa 2.25905e+06 3.95744e+07 33.79881 47.88399 125.07666 1.00000 None parabolic box sum 1684 2132 4.49720 1.53829 59.08926 65HisHa 69AlaHb* 65HisCa 2.67225e+06 4.52288e+07 27.58563 48.44102 127.86647 1.00000 None parabolic box sum 1685 2133 4.49994 2.89173 58.32321 80PheHa 80PheHba 80PheCa 1.30397e+07 2.35890e+08 32.12869 54.40626 139.46792 1.00000 None parabolic box sum 1686 2134 4.50188 3.23476 58.49938 80PheHa 80PheHbb 80PheCa 2.04944e+07 4.06366e+08 32.66215 56.64631 210.61869 1.00000 None parabolic box sum 1687 2135 4.50018 7.11962 58.32883 80PheHa 80PheHd* 80PheCa 1.53379e+07 2.80840e+08 32.39810 61.52896 136.33716 1.00000 None parabolic box sum 1688 2136 4.50002 7.58781 58.33006 80PheHa 80PheH 80PheCa 1.12096e+07 2.01562e+08 32.64368 54.88087 132.55807 1.00000 None parabolic box sum 1689 2137 4.50543 8.00729 59.19892 65HisHa 69AlaH 65HisCa 5.35328e+06 1.10659e+08 28.92673 99.34585 215.38042 1.00000 None parabolic box sum 1690 2138 4.03530 7.66656 59.71754 78LeuHa 79IleH 78LeuCa 6.43470e+06 1.31432e+08 62.58011 58.66688 164.70105 1.00000 None parabolic box sum 1691 2139 4.03827 8.02807 59.81444 78LeuHa 81AspH 78LeuCa 3.27208e+06 5.34243e+07 27.74715 45.47283 141.02967 1.00000 None parabolic box sum 1692 2140 4.04010 7.36000 59.84530 78LeuHa 78LeuH 78LeuCa 1.78398e+07 3.16174e+08 36.59308 47.80496 134.35044 1.00000 None parabolic box sum 1693 2141 4.03803 6.69734 59.82589 78LeuHa 82HisHd2 78LeuCa 1.06167e+07 1.85085e+08 31.08919 49.75415 137.55071 1.00000 None parabolic box sum 1694 2142 4.03362 3.69317 59.87255 78LeuHa 75SerHba 78LeuCa 4.59189e+06 8.15008e+07 29.63781 49.04543 145.09862 1.00000 None parabolic box sum 1695 2144 4.03689 1.75713 59.81155 78LeuHa 78LeuHba 78LeuCa 1.01546e+07 1.84510e+08 33.66411 59.44737 134.55990 1.00000 None parabolic box sum 1696 2145 4.03802 2.36237 59.83513 78LeuHa (81Asp/82His)Hb* 78LeuCa 6.20734e+06 1.12327e+08 33.14555 55.01027 133.60599 1.00000 None parabolic box sum 1697 2146 4.03625 2.12131 59.82032 78LeuHa 78LeuHbb 78LeuCa 1.57399e+07 2.83055e+08 30.36261 66.67598 131.89039 1.00000 None parabolic box sum 1698 2147 4.03817 1.04752 59.82394 78LeuHa 78LeuHdb* 78LeuCa 3.78227e+07 6.58521e+08 31.52192 49.09002 135.51170 1.00000 None parabolic box sum 1699 2148 4.03469 0.81261 59.85136 78LeuHa 78LeuHda* 78LeuCa 7.81432e+06 1.27956e+08 32.50957 43.84346 124.54258 1.00000 None parabolic box sum 1700 2150 3.90109 1.24568 60.18711 20ArgHa 23ThrHg2* 20ArgCa 4.38215e+06 8.81185e+07 41.88359 64.01029 140.03283 1.00000 None parabolic box sum 1701 2151 3.89938 1.51491 60.19719 20ArgHa 20ArgHga 20ArgCa 1.23425e+07 2.25890e+08 28.40161 117.31962 147.92894 1.00000 None parabolic box sum 1702 2152 3.89945 1.93306 60.21310 20ArgHa 20ArgHbb 20ArgCa 1.53953e+07 3.15073e+08 32.05180 169.33692 152.08585 1.00000 None parabolic box sum 1703 2153 3.90146 1.82221 60.19490 20ArgHa 20ArgHba 20ArgCa 1.88475e+07 3.73586e+08 31.61192 158.53641 146.95900 1.00000 None parabolic box sum 1704 2156 3.90022 7.70095 60.12709 20ArgHa 21AlaH 20ArgCa 6.05472e+06 1.09974e+08 31.41463 49.52591 166.53453 1.00000 None parabolic box sum 1705 2157 3.89802 8.00291 60.20900 20ArgHa 20ArgH 20ArgCa 1.68096e+07 3.04266e+08 30.47884 57.85921 137.31254 1.00000 None parabolic box sum 1706 2158 3.94157 3.03744 60.08292 86HisHa 24ArgHda 86HisCa 2.09102e+06 4.34493e+07 35.57324 305.42702 127.22599 1.00000 None parabolic box sum 1707 2159 3.94009 2.88291 60.11182 86HisHa 86HisHbb 86HisCa 1.14186e+07 2.04746e+08 32.37844 57.60349 134.70287 1.00000 None parabolic box sum 1708 2160 3.94049 2.70675 60.11139 86HisHa 86HisHba 86HisCa 1.41756e+07 2.53806e+08 31.19648 56.63676 135.91582 1.00000 None parabolic box sum 1709 2161 3.93378 2.07516 60.15558 20ArgHa 90GluHbb 20ArgCa 3.34061e+06 7.12157e+07 37.94372 258.29316 314.55596 1.00000 None None box sum 1710 2162 3.93947 1.40267 60.11596 86HisHa 89AlaHb* 86HisCa 2.04945e+07 3.73237e+08 34.37579 56.75381 137.07950 1.00000 None parabolic box sum 1711 2163 3.94120 1.09909 60.09066 86HisHa 45ThrHg2* 86HisCa 5.66560e+06 1.04248e+08 37.07230 50.26897 135.26567 1.00000 None parabolic box sum 1712 2164 3.94097 6.85620 60.11438 86HisHa 86HisHd2 86HisCa 5.00987e+06 8.69036e+07 31.53205 46.87764 138.28610 1.00000 None parabolic box sum 1713 2165 3.94105 7.81393 60.14235 86HisHa 90GluH 86HisCa 2.10587e+06 3.66301e+07 26.87514 49.12466 281.02804 1.00000 None parabolic box sum 1714 2166 3.94226 8.25820 60.09479 86HisHa 87AlaH 86HisCa 4.70780e+06 7.47490e+07 25.70152 49.85031 133.45516 1.00000 None parabolic box sum 1715 2168 4.08551 1.41556 60.23929 54PheHa 59AlaHb* 54PheCa 2.69402e+06 5.22223e+07 51.94604 55.68475 152.17864 1.00000 None None box sum 1716 2169 4.34535 1.95403 60.71500 99IleHa 99IleHb 99IleCa 4.01137e+07 6.46540e+08 25.02739 50.39877 136.65846 1.00000 None parabolic box sum 1717 2170 4.34434 1.20646 60.70342 99IleHa 99IleHg1a 99IleCa 1.02875e+07 1.56301e+08 23.58496 52.44651 124.48968 1.00000 None parabolic box sum 1718 2171 4.34558 0.90340 60.72335 99IleHa 99IleHg2* 99IleCa 4.74877e+07 7.56242e+08 24.54937 56.31146 133.38746 1.00000 None parabolic box sum 1719 2172 4.34506 6.81149 60.70832 99IleHa 19GlnHe2a 99IleCa 3.08514e+06 4.75202e+07 23.66543 48.79558 138.69898 1.00000 None parabolic box sum 1720 2173 4.34556 7.81133 60.74896 99IleHa 99IleH 99IleCa 1.91271e+07 3.02136e+08 25.11621 46.05096 139.74297 1.00000 None parabolic box sum 1721 2176 4.29940 7.33378 61.15157 9SerHa 12AlaH 9SerCa 6.24619e+06 9.93097e+07 26.78573 45.92623 145.79925 1.00000 None parabolic box sum 1722 2178 4.30065 7.89670 61.16362 9SerHa 9SerH 9SerCa 1.02193e+07 1.63760e+08 26.11220 44.46668 139.49542 1.00000 None parabolic box sum 1723 2180 4.30132 8.02564 61.07058 33SerHa 34ValH 33SerCa 7.51105e+06 1.25511e+08 28.44334 44.11560 147.85851 1.00000 None parabolic box sum 1724 2182 4.30046 1.46227 61.15443 9SerHa 12AlaHb* 9SerCa 2.30004e+07 3.88909e+08 29.87027 55.20935 133.15109 1.00000 None parabolic box sum 1725 2183 4.30078 1.29288 61.26852 9SerHa 8ThrHg2* 9SerCa 5.79742e+06 1.06498e+08 28.65493 50.27335 310.34827 1.00000 None parabolic box sum 1726 2184 4.39322 4.75773 61.17855 15ThrHa 15ThrHb 15ThrCa 1.33240e+07 2.30957e+08 28.20134 62.00874 136.36981 1.00000 None parabolic box sum 1727 2186 4.39067 9.09243 61.19966 15ThrHa 16AlaH 15ThrCa 9.47515e+06 1.59303e+08 26.98898 54.22211 132.59434 1.00000 None parabolic box sum 1728 2187 4.39117 8.87574 61.19212 15ThrHa 15ThrH 15ThrCa 1.08140e+07 1.77338e+08 26.95858 45.72049 135.91673 1.00000 None parabolic box sum 1729 2189 4.42859 8.02008 61.64533 5ThrHa 8ThrH 5ThrCa 3.49751e+06 5.65840e+07 28.06067 45.58899 143.31139 1.00000 None parabolic box sum 1730 2191 4.42853 1.24933 61.69475 5ThrHa 5ThrHg2* 5ThrCa 5.39589e+07 8.50791e+08 25.92206 47.48981 134.23740 1.00000 None parabolic box sum 1731 2202 -0.14890 4.28738 17.28168 79IleHg2* 49PheHa 79IleCg2 2.13663e+06 3.28622e+07 22.11511 58.77249 133.19371 1.00000 None parabolic box sum 1732 2203 -0.14747 4.50662 17.29769 79IleHg2* 80PheHa 79IleCg2 1.54373e+06 2.04042e+07 19.66834 55.56610 122.99896 1.00000 None parabolic box sum 1733 2204 -0.14912 2.84785 17.21095 79IleHg2* 54PheHbb 79IleCg2 2.46215e+06 3.89481e+07 23.05806 181.25546 133.87288 1.00000 None parabolic box sum 1734 2205 -0.14870 1.16306 17.23955 79IleHg2* 27ValHgb* 79IleCg2 2.69745e+06 4.39124e+07 25.88451 317.56933 134.26853 1.00000 None parabolic box sum 1735 2206 -0.14684 1.53406 17.13032 79IleHg2* 62LeuHba 79IleCg2 1.96162e+06 2.60092e+07 19.96577 608.08404 103.97686 1.00000 None parabolic box sum 1736 2207 -0.14865 0.89887 17.22102 79IleHg2* 62LeuHdb* 79IleCg2 1.00013e+07 1.76899e+08 25.27535 218.59137 126.61604 1.00000 None None box sum 1737 2208 -0.14876 -7.02368e-04 17.24843 79IleHg2* 79IleHd1* 79IleCg2 6.09349e+07 7.14042e+08 24.48738 33.38776 126.23702 1.00000 None parabolic box sum 1738 2209 0.00577 0.24483 13.55547 79IleHd1* 62LeuHda* 79IleCd1 2.58329e+07 3.41000e+08 24.84798 29.02272 129.90852 1.00000 None parabolic box sum 1739 2210 0.00579 0.14264 13.55324 79IleHd1* 79IleHg1a 79IleCd1 5.55327e+07 6.38833e+08 24.66023 24.94317 128.94102 1.00000 None parabolic box sum 1740 2211 0.00604 -0.13749 13.55831 79IleHd1* 79IleHg2* 79IleCd1 6.35720e+07 8.86269e+08 25.10548 31.03941 125.98926 1.00000 None parabolic box sum 1741 2213 0.00521 1.53513 13.59931 79IleHd1* 62LeuHba 79IleCd1 2.56815e+06 3.42466e+07 22.70758 600.80088 130.83495 1.00000 None parabolic box sum 1742 2214 0.00460 3.64039 13.59275 79IleHd1* 63ArgHa 79IleCd1 2.10876e+06 3.10016e+07 22.82023 45.22388 135.05490 1.00000 None parabolic box sum 1743 2215 0.00604 6.59169 13.55714 79IleHd1* 49PheHz 79IleCd1 2.09924e+06 3.28887e+07 24.57500 45.95470 136.30639 1.00000 None parabolic box sum 1744 2216 0.09202 1.24300 20.38718 35LeuHda* 58ThrHg2* 35LeuCda 2.24147e+07 3.90580e+08 24.84441 106.89777 131.72838 1.00000 None None box sum 1745 2217 0.23511 3.43731 26.78945 62LeuHda* 27ValHa 62LeuCda 1.57987e+06 2.27141e+07 22.71533 42.16402 124.73572 1.00000 None parabolic box sum 1746 2218 0.62572 0.86497 25.96054 35LeuHdb* {*}(Hga*/Hda*/Hdb*) 35LeuCdb 3.14078e+07 4.63851e+08 27.60768 44.55577 125.99189 1.00000 None parabolic box sum 1747 2220 1.67834 -0.13940 17.34803 31AlaHb* 79IleHg2* 31AlaCb 1.79928e+06 2.40287e+07 22.12584 38.66856 125.71079 1.00000 None parabolic box sum 1748 2221 6.69298 1.74910 120.51133 82HisHd2 78LeuHba 82HisCd2 2.27560e+06 3.65456e+07 26.15690 52.66829 135.03777 1.00000 None parabolic box sum 1749 2222 6.58672 7.02232 127.00817 49PheHz 49PheHe* 49PheCz 3.00781e+07 5.54281e+08 32.73755 56.94473 148.72054 1.00000 None parabolic box sum 1750 2223 6.91667 7.02448 131.84995 49PheHd* 49PheHe* 49PheCd* 2.00118e+07 4.09666e+08 26.63106 138.61564 222.97185 1.00000 None None box sum 1751 2227 6.85150 3.93980 118.37198 86HisHd2 86HisHa 86HisCd2 5.41441e+06 8.94017e+07 22.69745 114.96689 142.52764 1.00000 None parabolic box sum 1752 2228 6.83931 0.98825 118.44292 37TyrHe* 35LeuHg 37TyrCe* 3.74830e+06 6.50640e+07 22.53383 177.83844 142.79484 1.00000 None None box sum 1753 2229 6.58601 6.92266 126.84465 49PheHz 49PheHd* 49PheCz 5.33490e+06 1.19221e+08 36.21489 137.91050 157.98344 1.00000 None None box sum 1754 2230 8.18490 1.00321 137.44468 65HisHe1 34ValHgb* 65HisCe1 1.31565e+06 2.13886e+07 28.18018 52.19687 136.80959 1.00000 None parabolic box sum 1755 2231 8.18997 2.42603 137.50336 65HisHe1 61GluHgb 65HisCe1 1.50860e+06 2.26988e+07 23.06014 52.30238 117.91383 1.00000 None parabolic box sum 1756 2232 8.19059 4.06263 137.58390 65HisHe1 62LeuHa 65HisCe1 1.14880e+06 1.83001e+07 26.91269 46.09306 132.54583 1.00000 None parabolic box sum 1757 2233 8.19059 4.17973 137.35605 65HisHe1 61GluHa 65HisCe1 7.86331e+05 1.16685e+07 20.95550 55.25633 157.72562 1.00000 None parabolic box sum 1758 2234 8.18492 3.68533 137.40167 65HisHe1 34ValHa 65HisCe1 8.37564e+05 1.25609e+07 24.91087 52.16740 110.60530 1.00000 None parabolic box sum 1759 2236 7.28785 2.88764 137.24097 86HisHe1 86HisHbb 86HisCe1 1.12040e+06 1.66984e+07 24.56814 50.24429 121.99547 1.00000 None parabolic box sum 1760 2238 7.28976 2.74006 137.10031 86HisHe1 86HisHba 86HisCe1 7.53110e+05 1.33264e+07 27.23992 156.21951 150.90433 1.00000 None parabolic box sum 1761 2240 7.28828 6.85944 137.29374 86HisHe1 86HisHd2 86HisCe1 1.30708e+06 1.68499e+07 26.55774 30.70017 129.44953 1.00000 None parabolic box sum 1762 2241 7.28637 6.97213 137.27490 86HisHe1 46HisHd2 86HisCe1 2.24432e+06 2.90882e+07 26.14260 31.81522 116.75453 1.00000 None parabolic box sum 1763 2242 7.70937 1.04729 139.60349 91HisHe1 78LeuHdb* 91HisCe1 9.68623e+05 1.48073e+07 26.56132 48.30286 126.38648 1.00000 None parabolic box sum 1764 2243 7.70611 0.92598 139.55973 91HisHe1 74LeuHdb* 91HisCe1 1.04744e+06 1.76047e+07 30.29853 53.91692 116.43701 1.00000 None parabolic box sum 1765 2244 7.71070 0.79221 139.65722 91HisHe1 (78Leu/74Leu)Hda* 91HisCe1 9.17236e+05 1.51476e+07 25.59394 55.89419 130.06311 1.00000 None parabolic box sum 1766 2245 7.70863 1.96761 139.59181 91HisHe1 95GlnHga 91HisCe1 1.50781e+06 2.40823e+07 26.82775 49.71593 123.14963 1.00000 None parabolic box sum 1767 2247 7.71370 2.14593 139.42202 91HisHe1 91HisHba 91HisCe1 8.91502e+05 1.45103e+07 22.19528 140.46947 137.78315 1.00000 None parabolic box sum 1768 2248 7.70981 6.18380 139.59710 91HisHe1 91HisHd2 91HisCe1 1.61069e+06 2.56938e+07 27.31293 47.82964 116.19717 1.00000 None parabolic box sum 1769 2249 7.63105 3.01900 138.15001 82HisHe1 91HisHbb 82HisCe1 1.08978e+06 1.89028e+07 35.78186 62.06727 125.59110 1.00000 None parabolic box sum 1770 2250 7.62808 2.18473 138.20659 82HisHe1 91HisHba 82HisCe1 2.23665e+06 3.97299e+07 28.51307 67.25092 132.69892 1.00000 None parabolic box sum 1771 2253 7.62877 6.68264 138.18657 82HisHe1 82HisHd2 82HisCe1 1.35989e+06 2.16277e+07 23.99117 45.64414 152.52427 1.00000 None parabolic box sum 1772 2255 7.35584 7.65350 128.96044 54PheHz 35LeuH 54PheCz 1.66788e+06 2.71507e+07 28.31548 52.45139 152.03869 1.00000 None parabolic box sum 1773 2256 7.34575 8.91533 129.12917 54PheHz 31AlaH 54PheCz 1.17775e+06 2.04883e+07 33.60122 47.42232 134.24616 1.00000 None parabolic box sum 1774 2257 7.35652 8.74947 128.87708 54PheHz 32AlaH 54PheCz 9.15908e+05 1.52234e+07 31.44294 42.44721 135.75472 1.00000 None parabolic box sum 1775 2258 7.35694 4.05700 128.92147 54PheHz 62LeuHa 54PheCz 1.45655e+06 2.03857e+07 23.21661 151.97273 129.60716 1.00000 None parabolic box sum 1776 2259 7.35253 1.26873 129.07324 54PheHz 58ThrHg2* 54PheCz 1.46611e+06 2.45990e+07 22.99577 252.36933 165.80277 1.00000 None parabolic box sum 1777 2260 6.58644 0.00995 127.07638 49PheHz 79IleHd1* 49PheCz 1.41449e+06 2.33892e+07 36.35824 36.87963 133.70029 1.00000 None parabolic box sum 1778 2261 6.58638 3.43868 126.93466 49PheHz 27ValHa 49PheCz 9.16361e+05 1.56103e+07 28.83226 49.24729 159.55970 1.00000 None parabolic box sum 1779 2262 6.58761 3.85867 127.06715 49PheHz 79IleHa 49PheCz 1.08908e+06 2.02037e+07 32.84395 80.69043 135.28018 1.00000 None parabolic box sum 1780 2263 4.12822 8.64308 72.15141 70ThrHb 71GlyH 70ThrCb 2.02277e+06 3.56086e+07 33.83756 52.18084 124.79058 1.00000 None parabolic box sum 1781 2264 4.50453 4.00436 68.95278 40ThrHb 28LeuHa 40ThrCb 2.18158e+06 3.11954e+07 26.32141 35.89378 128.38318 1.00000 None parabolic box sum 1782 2265 4.13909 0.09647 68.59893 58ThrHb 35LeuHda* 58ThrCb 6.61338e+06 1.14321e+08 31.36933 49.88037 129.26183 1.00000 None parabolic box sum 1783 2266 4.13835 0.61672 68.68913 58ThrHb 35LeuHdb* 58ThrCb 1.23857e+06 2.22101e+07 47.90843 41.27373 124.68615 1.00000 None parabolic box sum 1784 2267 4.13704 0.86056 68.62138 58ThrHb 34ValHga* 58ThrCb 5.53317e+06 9.64769e+07 31.56662 43.43415 137.70955 1.00000 None parabolic box sum 1785 2268 4.13913 1.00628 68.60458 58ThrHb 34ValHgb* 58ThrCb 3.66831e+07 6.23421e+08 30.10154 48.58475 132.13839 1.00000 None parabolic box sum 1786 2269 4.13913 8.49235 68.66012 58ThrHb 62LeuH 58ThrCb 1.57600e+06 2.66564e+07 34.84190 48.45306 129.93677 1.00000 None parabolic box sum 1787 2270 3.80318 4.35778 67.58271 23ThrHb 26LeuHa 23ThrCb 1.53143e+06 2.82606e+07 25.68781 57.86866 167.41712 1.00000 None parabolic box sum 1788 2271 3.99809 8.19899 55.10784 35LeuHa 37TyrH 35LeuCa 1.27451e+06 2.04953e+07 28.21624 51.11347 119.09897 1.00000 None parabolic box sum 1789 2272 4.00147 8.03479 55.15761 35LeuHa 34ValH 35LeuCa 1.55484e+06 2.84029e+07 33.94485 49.49893 156.08528 1.00000 None parabolic box sum 1790 2273 3.99761 7.22851 55.03104 35LeuHa 54PheHe* 35LeuCa 1.23016e+06 2.07427e+07 25.06316 64.71743 160.58585 1.00000 None parabolic box sum 1791 2274 3.99245 7.02975 55.07600 35LeuHa 37TyrHd* 35LeuCa 1.29344e+06 2.21655e+07 35.09879 38.69922 159.53099 1.00000 None parabolic box sum 1792 2275 4.00308 6.84277 55.02563 35LeuHa 37TyrHe* 35LeuCa 1.43022e+06 2.24289e+07 27.98200 40.55087 132.14549 1.00000 None parabolic box sum 1793 2276 2.49614 4.08221 50.46686 85ProHda 85ProHa 85ProCd 2.62657e+06 5.13312e+07 40.94779 61.53453 128.92739 1.00000 None parabolic box sum 1794 2277 2.49780 3.79580 50.49160 85ProHda 85ProHdb 85ProCd 2.29135e+07 4.27393e+08 38.09631 58.92777 129.56061 1.00000 None parabolic box sum 1795 2278 2.49882 4.43905 50.48857 85ProHda 84ThrHa 85ProCd 1.23870e+07 2.38695e+08 39.50357 72.03482 129.07368 1.00000 None parabolic box sum 1796 2279 3.79393 4.09232 50.46093 85ProHdb 85ProHa 85ProCd 3.19459e+06 5.68372e+07 30.86746 53.12896 152.31314 1.00000 None parabolic box sum 1797 2280 3.79296 4.61894 50.49779 85ProHdb (48Ser/46His)Ha 85ProCd 1.73895e+06 3.19711e+07 37.39774 46.47609 123.71530 1.00000 None parabolic box sum 1798 2283 3.80208 6.58345 50.35392 85ProHdb 49PheHz 85ProCd 7.91009e+05 1.47375e+07 44.22009 49.95323 138.04611 1.00000 None parabolic box sum 1799 2284 3.78894 6.90291 50.58464 85ProHdb 49PheHd* 85ProCd 1.02025e+06 1.71747e+07 49.17085 131.09896 127.57510 1.00000 None parabolic box sum 1800 2285 2.49347 6.90520 50.43988 85ProHda 49PheHd* 85ProCd 1.58367e+06 2.84444e+07 35.22158 131.33248 120.53014 1.00000 None parabolic box sum 1801 2286 2.49790 7.02092 50.51636 85ProHda 49PheHe* 85ProCd 2.08517e+06 4.00592e+07 38.63633 120.73126 126.33132 1.00000 None parabolic box sum 1802 2287 2.50245 7.32877 50.35574 85ProHda 84ThrH 85ProCd 1.36040e+06 2.14910e+07 28.30148 42.37424 121.68566 1.00000 None parabolic box sum 1803 2288 3.79585 7.51656 50.44060 85ProHdb 47GluH 85ProCd 1.08258e+06 1.82396e+07 41.02230 42.10927 122.21582 1.00000 None parabolic box sum 1804 2289 3.79384 8.22380 50.58462 85ProHdb 87AlaH 85ProCd 1.40837e+06 2.49796e+07 47.87803 51.53692 111.11491 1.00000 None parabolic box sum 1805 2291 2.49694 8.57580 50.48977 85ProHda 86HisH 85ProCd 2.27447e+06 3.72689e+07 33.29873 43.97166 125.35443 1.00000 None parabolic box sum 1806 2292 2.49515 8.47683 50.44142 85ProHda 86HisH 85ProCd -7.61292e+05 -8.38143e+06 18.75997 39.61758 132.40362 1.00000 None parabolic box sum 1807 2293 2.49511 8.22432 50.49442 85ProHda 87AlaH 85ProCd 1.94332e+06 3.20390e+07 29.33145 55.89488 125.78122 1.00000 None parabolic box sum 1808 2295 3.79379 1.75051 50.50886 85ProHdb 87AlaHb* 85ProCd 1.34184e+06 2.59780e+07 131.43659 78.31063 158.38665 1.00000 None parabolic box sum 1809 2303 4.34767 8.83717 52.36748 38AlaHa 38AlaH 38AlaCa 1.53245e+06 2.75143e+07 32.27711 47.52475 152.59454 1.00000 None parabolic box sum 1810 2305 4.40556 1.83663 44.81586 53GlyHab 52LeuHba 53GlyCa 1.45894e+06 2.51844e+07 30.26128 50.41589 151.04851 1.00000 None parabolic box sum 1811 2306 3.81991 2.33617 44.82016 53GlyHaa 52LeuHbb 53GlyCa 1.23667e+06 2.15472e+07 36.67831 51.18992 132.74184 1.00000 None parabolic box sum 1812 2307 3.80736 1.82779 44.71814 53GlyHaa 52LeuHba 53GlyCa 1.42193e+06 2.54366e+07 35.02905 60.81306 132.50476 1.00000 None parabolic box sum 1813 2308 4.32904 7.62629 45.65347 71GlyHab 70ThrH 71GlyCa 1.74066e+06 3.20185e+07 39.55901 122.53602 131.19543 1.00000 None parabolic box sum 1814 2311 4.08023 0.87319 45.37117 13GlyHab 14LeuHda* 13GlyCa 2.96478e+06 6.08919e+07 42.62626 62.61514 130.57906 1.00000 None parabolic box sum 1815 2312 4.08029 3.68812 45.56363 36GlyHab 34ValHa 36GlyCa 2.28680e+06 3.62092e+07 39.75034 34.96408 143.42779 1.00000 None parabolic box sum 1816 2313 4.07999 4.22696 45.53069 13GlyHab 10LysHa 13GlyCa 2.67740e+06 4.73244e+07 37.74941 352.40878 174.46558 1.00000 None parabolic box sum 1817 2315 3.85210 4.74875 45.64083 36GlyHaa 37TyrHa 36GlyCa 9.44314e+05 1.67600e+07 35.78126 49.67611 156.11860 1.00000 None parabolic box sum 1818 2316 4.08406 4.74168 45.45187 36GlyHab 37TyrHa 36GlyCa 9.71987e+05 1.76433e+07 29.23250 54.35609 138.44123 1.00000 None parabolic box sum 1819 2317 3.84048 6.81366 45.73161 36GlyHaa 37TyrHe* 36GlyCa 1.28206e+06 2.05342e+07 22.77970 53.49726 147.56532 1.00000 None parabolic box sum 1820 2318 3.33453 4.35442 38.58872 37TyrHbb 38AlaHa 37TyrCb 1.32514e+06 2.18513e+07 32.62758 45.77533 131.98137 1.00000 None parabolic box sum 1821 2319 2.93327 6.84328 38.50273 37TyrHba 37TyrHe* 37TyrCb 1.80238e+06 3.28278e+07 32.88269 51.09496 136.78677 1.00000 None parabolic box sum 1822 2320 3.23194 4.09022 38.60657 80PheHbb 81AspHa 80PheCb 1.26022e+06 2.27855e+07 30.99859 51.84529 130.26441 1.00000 None parabolic box sum 1823 2321 2.89130 4.08672 38.71458 80PheHba 81AspHa 80PheCb 1.41196e+06 2.95096e+07 42.59944 56.60132 303.47484 1.00000 None parabolic box sum 1824 2322 3.23817 2.35984 38.72758 80PheHbb 81AspHbb 80PheCb 9.19193e+05 1.84122e+07 34.43897 96.11478 122.54331 1.00000 None parabolic box sum 1825 2323 2.89025 2.37304 38.70580 80PheHba 81AspHbb 80PheCb 1.19105e+06 1.96803e+07 26.24571 38.62835 331.82287 1.00000 None parabolic box sum 1826 2324 3.22367 4.79858 38.64381 80PheHbb 77ThrHb 80PheCb 1.69096e+06 2.75742e+07 27.39727 53.64259 131.59025 1.00000 None parabolic box sum 1827 2325 2.89882 4.79730 38.69768 80PheHba 77ThrHb 80PheCb 2.20399e+06 4.56223e+07 55.93240 71.92055 137.73388 1.00000 None None box sum 1828 2326 1.30070 2.85931 36.13471 79IleHb 54PheHbb 79IleCb 1.12379e+06 1.98929e+07 26.60930 180.56186 133.90718 1.00000 None parabolic box sum 1829 2327 1.28882 2.35437 36.12803 79IleHb 82HisHba 79IleCb 1.22482e+06 2.03564e+07 24.75917 51.90860 143.86285 1.00000 None parabolic box sum 1830 2329 1.56861 2.66229 43.41429 72LeuHbb 73AsnHba 72LeuCb 1.03289e+06 1.88070e+07 26.88468 101.91638 143.86708 1.00000 None parabolic box sum 1831 2330 1.23090 2.72013 43.21743 72LeuHba 73AsnHbb 72LeuCb 1.39051e+06 2.48649e+07 29.82020 59.53736 140.33607 1.00000 None parabolic box sum 1832 2331 1.23266 2.27392 43.53005 72LeuHba 95GlnHgb 72LeuCb 1.42239e+06 2.62398e+07 46.64540 63.22950 129.14380 1.00000 None parabolic box sum 1833 2332 2.33595 0.09378 43.25348 52LeuHbb 35LeuHda* 52LeuCb 1.41209e+06 2.48509e+07 29.99246 49.22022 140.58845 1.00000 None parabolic box sum 1834 2333 1.82822 0.09453 43.15291 52LeuHba 35LeuHda* 52LeuCb 1.54241e+06 2.75733e+07 31.51238 51.25960 131.63529 1.00000 None parabolic box sum 1835 2334 2.60243 2.97101 39.84759 29AspHba 29AspHbb 29AspCb 7.83477e+07 1.45924e+09 35.17449 56.45559 136.48632 1.00000 None parabolic box sum 1836 2335 2.96773 2.60546 39.84358 29AspHbb 29AspHba 29AspCb 7.32905e+07 1.37735e+09 37.97531 55.36264 134.70589 1.00000 None parabolic box sum 1837 2336 2.81739 2.59836 33.68173 30GlnHgb 29AspHba 30GlnCg 1.57278e+06 2.73814e+07 34.53910 44.50560 128.00778 1.00000 None parabolic box sum 1838 2339 2.82861 3.61377 33.60763 30GlnHgb 65HisHbb 30GlnCg 1.49449e+06 2.79592e+07 46.51368 57.01979 130.33136 1.00000 None parabolic box sum 1839 2340 2.82147 3.20248 33.89067 30GlnHgb 65HisHba 30GlnCg 1.06116e+06 1.77159e+07 27.43900 55.60870 131.36477 1.00000 None parabolic box sum 1840 2341 1.98712 3.21094 33.71699 30GlnHga 65HisHba 30GlnCg 1.70870e+06 2.80140e+07 24.42360 60.19790 143.43607 1.00000 None parabolic box sum 1841 2343 1.98950 2.97046 33.48348 30GlnHga 29AspHbb 30GlnCg 2.02896e+06 3.24281e+07 27.02832 44.36226 351.50509 1.00000 None parabolic box sum 1842 2344 2.81797 2.96683 33.73461 30GlnHgb 29AspHbb 30GlnCg 2.75403e+06 4.50537e+07 39.84451 42.10190 142.92284 1.00000 None parabolic box sum 1843 2346 2.81879 8.75355 33.61522 30GlnHgb 32AlaH 30GlnCg 8.41952e+05 1.36537e+07 22.93050 58.23139 146.31399 1.00000 None parabolic box sum 1844 2347 1.99292 8.76030 33.68863 30GlnHga (66Leu/32Ala)H 30GlnCg 1.05077e+06 1.91740e+07 35.90822 56.36879 121.04609 1.00000 None parabolic box sum 1845 2349 2.82023 9.30597 33.62059 30GlnHgb 29AspH 30GlnCg 1.35943e+06 2.53078e+07 38.49983 46.50023 138.38539 1.00000 None parabolic box sum 1846 2350 1.98992 9.29712 33.66055 30GlnHga 29AspH 30GlnCg 1.14162e+06 1.87014e+07 33.81431 46.42578 117.71222 1.00000 None parabolic box sum 1847 2351 3.02064 1.32969 27.74881 91HisHbb 88ValHgb* 91HisCb 2.12430e+06 4.11080e+07 39.33132 55.61308 162.57530 1.00000 None parabolic box sum 1848 2352 2.17772 1.33883 27.82476 91HisHba 88ValHgb* 91HisCb 2.04210e+06 4.03692e+07 40.48228 62.71547 154.18591 1.00000 None parabolic box sum 1849 2354 3.02274 2.32083 27.77037 91HisHbb 88ValHb 91HisCb 2.48168e+06 4.83996e+07 37.76252 278.68854 144.04557 1.00000 None parabolic box sum 1850 2355 3.01676 1.96560 27.82525 91HisHbb (94Glu/92Leu)Hb* 91HisCb 2.12218e+06 4.01765e+07 36.42440 284.46068 138.72860 1.00000 None parabolic box sum 1851 2357 2.17812 7.60305 27.83356 91HisHba (82His/94Glu)(He1/H) 91HisCb 2.43369e+06 4.07317e+07 36.48818 39.70697 134.75637 1.00000 None parabolic box sum 1852 2359 3.02236 7.60401 27.88589 91HisHbb 94GluH 91HisCb 1.12037e+06 1.56231e+07 35.63941 141.55078 124.00789 1.00000 None parabolic box sum 1853 2360 3.02825 8.56889 27.78581 91HisHbb 89AlaH 91HisCb 1.43886e+06 2.44200e+07 32.82189 41.30857 150.49599 1.00000 None parabolic box sum 1854 2362 2.17892 8.56431 27.86985 91HisHba 89AlaH 91HisCb 1.41985e+06 2.33104e+07 27.44436 136.89548 140.44722 1.00000 None parabolic box sum 1855 2369 1.74122 1.01376 18.37142 87AlaHb* 84ThrHg2* 87AlaCb 8.15888e+06 1.32489e+08 23.72444 60.52678 129.45512 1.00000 None parabolic box sum 1856 2370 1.73758 2.71003 18.40439 87AlaHb* 86HisHba 87AlaCb 1.82705e+06 2.49154e+07 23.66304 41.34978 129.44364 1.00000 None parabolic box sum 1857 2372 1.74141 4.08516 18.33776 87AlaHb* 85ProHa 87AlaCb 2.35580e+06 3.35200e+07 25.35343 30.83197 139.34732 1.00000 None parabolic box sum 1858 2373 1.74340 3.82380 18.35378 87AlaHb* 79IleHa 87AlaCb 2.07400e+06 3.06909e+07 23.64695 105.44408 130.37609 1.00000 None parabolic box sum 1859 2374 1.73782 4.45029 18.39762 87AlaHb* 84ThrHa 87AlaCb 2.10934e+06 3.14665e+07 23.68093 83.48990 126.25666 1.00000 None parabolic box sum 1860 2375 1.73947 4.37544 18.38579 87AlaHb* 84ThrHb 87AlaCb 2.19912e+06 3.05231e+07 22.98892 82.53671 117.95312 1.00000 None parabolic box sum 1861 2376 1.73407 5.10529 18.43716 87AlaHb* 83ProHa 87AlaCb 1.06647e+06 1.66817e+07 26.10981 43.71007 116.29827 1.00000 None parabolic box sum 1862 2377 1.74229 6.70520 18.39902 87AlaHb* 82HisHd2 87AlaCb 1.46195e+06 2.11542e+07 26.60513 37.14878 128.14575 1.00000 None parabolic box sum 1863 2378 1.74310 6.57437 18.39598 87AlaHb* 49PheHz 87AlaCb 9.55477e+05 1.39869e+07 22.01915 45.66206 131.42189 1.00000 None parabolic box sum 1864 2379 2.88386 1.10635 30.93856 86HisHbb 45ThrHg2* 86HisCb 3.41821e+06 6.22716e+07 31.93915 53.34556 141.71669 1.00000 None parabolic box sum 1865 2380 2.70413 1.10143 30.92975 86HisHba 45ThrHg2* 86HisCb 3.45177e+06 6.45928e+07 43.58828 49.61241 144.19548 1.00000 None parabolic box sum 1866 2381 2.88605 1.39798 30.88791 86HisHbb 89AlaHb* 86HisCb 1.26340e+06 2.36948e+07 34.41989 81.36890 137.64200 1.00000 None parabolic box sum 1867 2382 2.70370 1.40826 30.89187 86HisHba 89AlaHb* 86HisCb 1.31812e+06 2.57308e+07 37.25767 64.01905 162.67020 1.00000 None parabolic box sum 1868 2383 2.88985 1.75023 30.96133 86HisHbb 87AlaHb* 86HisCb 2.58943e+06 5.08518e+07 44.89303 50.75353 131.15561 1.00000 None parabolic box sum 1869 2384 2.70935 1.75087 30.88731 86HisHba 87AlaHb* 86HisCb 1.90517e+06 3.85129e+07 49.87001 61.09416 142.47505 1.00000 None parabolic box sum 1870 2386 2.88383 2.06238 30.94624 86HisHbb 83ProHgb 86HisCb 1.45169e+06 2.83228e+07 33.56099 93.15326 147.25733 1.00000 None parabolic box sum 1871 2387 2.88213 2.70753 30.90992 86HisHbb 86HisHba 86HisCb 3.23944e+07 6.10677e+08 36.90064 56.19958 137.32826 1.00000 None parabolic box sum 1872 2388 2.70451 2.88527 30.90375 86HisHba 86HisHbb 86HisCb 3.11879e+07 5.85535e+08 37.03177 56.30987 137.94999 1.00000 None parabolic box sum 1873 2389 2.88178 4.07228 30.97335 86HisHbb (45Thr/85Pro)H* 86HisCb 3.06647e+06 5.62715e+07 37.86504 143.28527 136.00347 1.00000 None parabolic box sum 1874 2390 2.70365 4.07524 30.95545 86HisHba (85Pro/45Thr)H* 86HisCb 3.80983e+06 6.61698e+07 33.66172 140.09759 131.72506 1.00000 None parabolic box sum 1875 2391 2.88253 3.94193 30.92036 86HisHbb 86HisHa 86HisCb 9.47134e+06 1.73705e+08 36.92329 52.95457 130.34557 1.00000 None parabolic box sum 1876 2392 2.70494 3.94315 30.92081 86HisHba 86HisHa 86HisCb 9.63710e+06 1.80551e+08 39.63292 51.56698 137.08162 1.00000 None parabolic box sum 1877 2393 2.88171 4.39385 30.96624 86HisHbb 84ThrHb 86HisCb 1.41495e+06 2.40653e+07 31.93796 45.84501 126.71821 1.00000 None parabolic box sum 1878 2394 2.69048 4.38493 30.90173 86HisHba 84ThrHb 86HisCb 1.07538e+06 1.76248e+07 31.88431 53.02225 133.13266 1.00000 None parabolic box sum 1879 2395 2.88362 6.85491 30.90818 86HisHbb 86HisHd2 86HisCb 3.82286e+06 7.23495e+07 41.00084 45.98297 139.81914 1.00000 None parabolic box sum 1880 2396 2.70382 6.85707 30.87427 86HisHba 86HisHd2 86HisCb 3.23074e+06 5.97380e+07 36.65090 47.68352 148.91761 1.00000 None parabolic box sum 1881 2397 2.70501 7.30906 30.87932 86HisHba (86His/84Thr)(He1/H) 86HisCb 9.83228e+05 1.67207e+07 37.85908 55.24996 148.89555 1.00000 None parabolic box sum 1882 2398 2.88370 7.29669 30.95557 86HisHbb 84ThrH 86HisCb 1.52551e+06 2.59439e+07 27.75431 46.92164 121.58773 1.00000 None parabolic box sum 1883 2401 2.88250 8.26164 30.92016 86HisHbb 87AlaH 86HisCb 7.28660e+06 1.35952e+08 40.05909 49.11779 134.97611 1.00000 None parabolic box sum 1884 2403 2.70448 8.26205 30.89570 86HisHba 87AlaH 86HisCb 5.88974e+06 1.05370e+08 35.01475 48.50074 139.52202 1.00000 None parabolic box sum 1885 2405 2.95338 4.37233 29.81579 46HisHba 47GluHa 46HisCb 1.05953e+06 1.86323e+07 41.41748 75.79465 146.13596 1.00000 None parabolic box sum 1886 2406 3.29342 4.35205 29.75377 46HisHbb 47GluHa 46HisCb 1.31378e+06 2.52161e+07 39.13403 73.04018 124.00124 1.00000 None parabolic box sum 1887 2407 3.29361 2.82140 29.81127 46HisHbb 44AspHbb 46HisCb 1.76560e+06 3.19063e+07 40.75050 160.25089 161.45605 1.00000 None parabolic box sum 1888 2410 1.90231 2.26533 28.11245 19GlnHba 19GlnHga 19GlnCb 1.00126e+07 2.01522e+08 44.81614 61.83753 139.94367 1.00000 None parabolic box sum 1889 2411 2.46252 2.24981 28.06936 19GlnHbb 19GlnHga 19GlnCb 1.04891e+07 2.08523e+08 118.69013 59.96856 128.56831 1.00000 None parabolic box sum 1890 2413 2.46575 1.51945 28.07907 19GlnHbb (20Arg/16Ala)(Hga/Hb*) 19GlnCb 3.99486e+06 7.65626e+07 47.34099 60.74060 126.70007 1.00000 None parabolic box sum 1891 2414 1.88774 1.51402 28.06428 19GlnHba (16Ala/20Arg)(Hb*/Hga) 19GlnCb 3.58392e+06 7.05820e+07 49.13330 72.55681 128.93766 1.00000 None parabolic box sum 1892 2419 2.46577 3.85211 28.07305 19GlnHbb 19GlnHa 19GlnCb 9.14457e+06 1.75507e+08 44.16347 55.72736 128.01699 1.00000 None parabolic box sum 1893 2420 1.89430 4.16653 28.07569 19GlnHba 16AlaHa 19GlnCb 7.20426e+06 1.30414e+08 40.22479 51.68284 137.40563 1.00000 None parabolic box sum 1894 2421 1.89657 3.85239 28.05255 19GlnHba 19GlnHa 19GlnCb 1.20062e+07 2.28708e+08 41.54503 54.80522 132.49792 1.00000 None parabolic box sum 1895 2422 2.46918 4.16677 28.06808 19GlnHbb 16AlaHa 19GlnCb 9.00143e+06 1.72282e+08 90.03103 52.10250 130.79774 1.00000 None parabolic box sum 1896 2425 2.46587 7.15590 28.04196 19GlnHbb 19GlnHe2b 19GlnCb 1.87469e+06 3.60160e+07 44.41857 44.53586 133.78250 1.00000 None parabolic box sum 1897 2426 2.46986 6.81114 27.98391 19GlnHbb 19GlnHe2a 19GlnCb 1.24754e+06 2.21621e+07 45.30132 49.99643 128.73969 1.00000 None parabolic box sum 1898 2427 1.88769 7.15233 28.07595 19GlnHba 19GlnHe2b 19GlnCb 1.92230e+06 3.02223e+07 28.78308 51.65676 122.89922 1.00000 None parabolic box sum 1899 2428 1.89631 6.81027 28.08509 19GlnHba 19GlnHe2a 19GlnCb 1.10418e+06 1.93964e+07 50.94826 46.83205 119.15730 1.00000 None parabolic box sum 1900 2429 2.46584 7.99450 28.05777 19GlnHbb 20ArgH 19GlnCb 7.33029e+06 1.37212e+08 44.74282 49.19722 126.98026 1.00000 None parabolic box sum 1901 2430 1.89548 7.99532 28.04732 19GlnHba 20ArgH 19GlnCb 6.16062e+06 1.11684e+08 41.12661 49.37749 128.70009 1.00000 None parabolic box sum 1902 2432 2.46485 9.16190 28.07155 19GlnHbb 19GlnH 19GlnCb 1.00510e+07 1.86942e+08 44.31665 47.55421 131.68002 1.00000 None parabolic box sum 1903 2433 1.89999 9.16041 28.06336 19GlnHba 19GlnH 19GlnCb 8.24589e+06 1.49917e+08 39.86895 46.84668 128.43411 1.00000 None parabolic box sum 1904 2435 0.81660 0.01167 27.40750 78LeuHda* 79IleHd1* 78LeuCda 1.27576e+07 1.99696e+08 25.31111 46.87386 133.34786 1.00000 None parabolic box sum 1905 2436 0.81827 0.23142 27.49814 78LeuHda* 62LeuHda* 78LeuCda 4.64052e+06 6.61481e+07 25.17283 41.13278 122.75897 1.00000 None parabolic box sum 1906 2437 0.73749 0.23816 26.89746 66LeuHda* 62LeuHda* None 1.26851e+07 1.99421e+08 24.51360 51.63148 133.79611 1.00000 None parabolic box sum 1907 2438 1.28350 0.24139 26.93046 62LeuHg 62LeuHda* 62LeuCg 5.55730e+07 9.98234e+08 35.50649 53.21934 123.61979 1.00000 None parabolic box sum 1908 2439 1.28409 0.00987 26.92588 62LeuHg 79IleHd1* 62LeuCg 4.66846e+06 7.70223e+07 30.03657 37.92002 175.21740 1.00000 None parabolic box sum 1909 2441 3.63383 0.22926 60.91682 63ArgHa 62LeuHda* 63ArgCa 1.38130e+06 2.30865e+07 25.94590 58.28355 161.11299 1.00000 None parabolic box sum 1910 2442 3.63729 0.00804 60.88485 63ArgHa 79IleHd1* 63ArgCa 1.71801e+06 2.86040e+07 28.81944 45.28121 131.64194 1.00000 None parabolic box sum 1911 2443 3.64051 -0.14361 60.90173 63ArgHa 79IleHg2* 63ArgCa 1.20228e+06 2.13699e+07 34.46639 43.26891 137.35334 1.00000 None parabolic box sum 1912 2444 2.25113 0.23698 31.53774 34ValHb 62LeuHda* 34ValCb 2.20833e+06 3.85696e+07 38.68222 45.62602 130.56530 1.00000 None parabolic box sum 1913 2445 2.24714 0.09387 31.51526 34ValHb 35LeuHda* 34ValCb 2.47794e+06 4.54849e+07 38.11955 47.26963 148.42917 1.00000 None parabolic box sum 1914 2446 4.12008 0.09951 64.75241 58ThrHa 35LeuHda* 58ThrCa 1.34706e+06 2.25521e+07 29.65510 51.69996 154.23095 1.00000 None parabolic box sum 1915 2447 4.08748 0.23601 66.08542 85ProHa 62LeuHda* 85ProCa 1.19479e+06 1.97557e+07 26.60334 49.25565 130.09696 1.00000 None parabolic box sum 1916 2448 3.43781 0.23583 67.33534 27ValHa 62LeuHda* 27ValCa 1.01875e+06 1.68655e+07 25.28846 46.72256 135.31675 1.00000 None parabolic box sum 1917 2449 1.29461 0.24947 36.06087 79IleHb 62LeuHda* 79IleCb 1.86652e+06 3.07629e+07 32.24730 42.36071 136.81729 1.00000 None parabolic box sum 1918 2454 1.74961 0.12564 42.49694 78LeuHba 79IleHg1a 78LeuCb 9.59148e+05 1.55549e+07 35.16138 117.43548 133.46007 1.00000 None parabolic box sum 1919 2462 1.40943 0.24666 19.00642 59AlaHb* 62LeuHda* 59AlaCb 3.95842e+06 4.95638e+07 25.72596 26.38531 134.89057 1.00000 None parabolic box sum 1920 2465 1.41366 0.12592 19.00642 59AlaHb* 79IleHg1a 59AlaCb 9.93305e+06 1.73844e+08 25.22588 129.63990 131.61957 1.00000 None parabolic box sum 1921 2466 1.41578 0.00942 19.00642 59AlaHb* 79IleHd1* 59AlaCb 3.47955e+07 5.72675e+08 25.69795 52.43258 128.93645 1.00000 None parabolic box sum 1922 2468 4.34113 0.10006 55.65019 52LeuHa 35LeuHda* 52LeuCa 1.14146e+06 1.79365e+07 42.94276 48.58873 121.83347 1.00000 None parabolic box sum 1923 2469 4.18383 0.10254 55.76788 31AlaHa 35LeuHda* 31AlaCa 1.34761e+06 2.27308e+07 38.07366 43.29161 141.39721 1.00000 None parabolic box sum 1924 2470 4.18648 0.63530 55.82496 31AlaHa 35LeuHdb* 31AlaCa 2.15886e+06 3.84145e+07 35.06958 48.26622 132.21290 1.00000 None parabolic box sum 1925 2472 1.73998 1.33384 18.36781 87AlaHb* 88ValHgb* 87AlaCb 1.74718e+07 2.68340e+08 25.60079 46.29334 126.17324 1.00000 None parabolic box sum 1926 2475 1.42052 2.11104 21.60474 15ThrHg2* 18GluHba 15ThrCg2 3.71665e+06 4.33121e+07 20.79308 70.21961 126.88445 1.00000 None parabolic box sum 1927 2477 0.92634 4.87165 22.94508 74LeuHdb* 74LeuHa 74LeuCdb 1.10491e+07 1.67690e+08 22.79103 51.11526 132.26126 1.00000 None parabolic box sum 1928 2478 0.92449 6.18771 22.96021 74LeuHdb* 91HisHd2 74LeuCdb 2.10891e+07 3.36864e+08 26.87156 47.22663 129.94568 1.00000 None parabolic box sum 1929 2480 0.92683 9.29918 22.93498 74LeuHdb* 74LeuH 74LeuCdb 4.84266e+06 7.05560e+07 22.81070 48.50288 124.29775 1.00000 None parabolic box sum 1930 2481 0.23456 2.69469 26.77381 62LeuHda* 54PheHba 62LeuCda 1.49453e+06 2.36508e+07 22.36962 65.11240 138.13165 1.00000 None parabolic box sum 1931 2483 0.73528 8.89742 26.90270 66LeuHda* 67GlnH None 3.37430e+06 4.85966e+07 25.12395 134.23965 129.25533 1.00000 None parabolic box sum 1932 2484 0.73643 8.77777 26.87627 66LeuHda* 66LeuH None 1.65152e+07 2.47109e+08 23.14866 52.26406 122.88803 1.00000 None parabolic box sum 1933 2485 0.73625 4.13395 26.66640 66LeuHda* 66LeuHa None 1.37412e+07 2.38121e+08 22.22717 64.77874 242.96570 1.00000 None parabolic box sum 1934 2488 0.73721 3.64648 26.88989 66LeuHda* 63ArgHa None 9.92382e+06 1.70851e+08 23.74113 55.62184 258.41032 1.00000 None parabolic box sum 1935 2489 0.73524 3.43652 26.89436 66LeuHda* 27ValHa None 5.39629e+06 9.01480e+07 22.63427 54.99753 257.76682 1.00000 None parabolic box sum 1936 2491 0.73667 1.85581 26.84662 66LeuHda* 66LeuHg None 6.67935e+07 1.08379e+09 23.52715 66.02658 130.73487 1.00000 None parabolic box sum 1937 2492 0.73652 2.02958 26.82222 66LeuHda* 66LeuHbb None 2.88642e+07 5.12527e+08 23.54324 62.72702 250.90533 1.00000 None parabolic box sum 1938 2494 0.81922 0.12790 27.41555 78LeuHda* 79IleHg1a 78LeuCda 1.79887e+06 2.58055e+07 24.13571 31.79034 140.55634 1.00000 None parabolic box sum 1939 2496 0.81731 1.05191 27.43175 78LeuHda* 78LeuHdb* 78LeuCda 5.44636e+07 7.73600e+08 24.05703 37.76434 132.46981 1.00000 None parabolic box sum 1940 2497 0.81668 1.36490 27.37137 78LeuHda* 74LeuHba 78LeuCda 3.43034e+07 5.95567e+08 25.70868 70.02451 145.91652 1.00000 None parabolic box sum 1941 2498 0.81796 2.30419 27.46025 78LeuHda* 88ValHb 78LeuCda 4.95720e+06 7.85237e+07 22.94242 74.77576 127.19637 1.00000 None parabolic box sum 1942 2499 0.81730 2.11193 27.43919 78LeuHda* 78LeuHbb 78LeuCda 1.92964e+07 3.24117e+08 24.25432 102.96155 131.01718 1.00000 None parabolic box sum 1943 2501 0.81754 1.76677 27.48998 78LeuHda* 78LeuHba 78LeuCda 1.85718e+07 3.06573e+08 24.28710 67.16890 121.36920 1.00000 None parabolic box sum 1944 2502 0.81413 3.01426 27.47263 78LeuHda* 91HisHbb 78LeuCda 1.54103e+06 2.19191e+07 23.99027 51.79672 111.60426 1.00000 None parabolic box sum 1945 2507 0.81665 3.41696 27.50269 78LeuHda* 88ValHa 78LeuCda 1.87882e+06 2.81253e+07 23.31972 49.82025 134.07841 1.00000 None parabolic box sum 1946 2508 0.82390 3.85568 27.46262 78LeuHda* 79IleHa 78LeuCda 1.55050e+06 2.59923e+07 19.47999 63.60258 153.79812 1.00000 None parabolic box sum 1947 2509 0.81857 4.16178 27.50416 78LeuHda* 66LeuHa 78LeuCda 2.01777e+06 2.18871e+07 17.71867 138.89475 94.06804 1.00000 None parabolic box sum 1948 2510 0.81760 4.04630 27.41848 78LeuHda* 78LeuHa 78LeuCda 5.55646e+06 8.86831e+07 24.26744 55.04531 140.50707 1.00000 None parabolic box sum 1949 2513 1.06538 8.80282 24.62465 60LeuHdb* 64AspH 60LeuCdb 2.14082e+06 3.48707e+07 27.67503 58.16967 120.42677 1.00000 None parabolic box sum 1950 2514 1.06056 7.05143 24.59718 60LeuHdb* 63ArgHe 60LeuCdb 3.59112e+06 5.63576e+07 23.47767 55.18407 136.24528 1.00000 None parabolic box sum 1951 2515 0.93107 2.95887 25.03803 26LeuHdb* 29AspHbb 26LeuCdb 1.55370e+07 2.37845e+08 21.39628 51.97748 151.66057 1.00000 None parabolic box sum 1952 2516 0.93129 2.82886 25.20691 26LeuHdb* 30GlnHgb 26LeuCdb 1.55956e+07 2.20944e+08 21.18945 50.41709 128.00581 1.00000 None parabolic box sum 1953 2517 0.92869 6.90600 25.19822 26LeuHdb* 30GlnHe2a 26LeuCdb 6.67787e+06 9.19087e+07 19.73212 49.51744 126.99477 1.00000 None parabolic box sum 1954 2520 0.93049 7.97710 25.14691 26LeuHdb* 27ValH 26LeuCdb 5.84193e+06 9.77494e+07 25.63298 74.48799 128.40297 1.00000 None parabolic box sum 1955 2522 0.92894 9.30660 25.25012 26LeuHdb* 29AspH 26LeuCdb 2.94224e+06 4.47422e+07 47.45662 43.58610 131.01143 1.00000 None parabolic box sum 1956 2523 0.93145 4.34327 25.14484 26LeuHdb* 26LeuHa 26LeuCdb 4.53401e+07 6.91811e+08 21.26217 56.13507 139.06259 1.00000 None parabolic box sum 1957 2525 0.93052 3.45370 25.22134 26LeuHdb* 27ValHa 26LeuCdb 2.87601e+06 4.03310e+07 18.58830 54.18010 127.78093 1.00000 None parabolic box sum 1958 2526 0.93116 2.07328 25.21382 26LeuHdb* 26LeuHbb 26LeuCdb 2.22426e+07 3.64071e+08 23.01633 106.30490 121.91054 1.00000 None parabolic box sum 1959 2527 0.92587 2.00807 25.18768 26LeuHdb* 30Gln(Hba/Hga) 26LeuCdb 2.46231e+07 4.54107e+08 49.34251 101.33984 131.37414 1.00000 None parabolic box sum 1960 2528 0.93156 1.64750 24.80600 6LeuHdb* 6LeuHbb 6LeuCdb 8.80032e+07 1.51396e+09 23.99027 119.83241 160.33740 1.00000 None parabolic box sum 1961 2529 0.73127 6.18601 25.94263 92LeuHda* 91HisHd2 92LeuCda 3.53268e+06 5.08310e+07 23.09799 43.74332 117.75272 1.00000 None parabolic box sum 1962 2530 0.73247 8.56538 25.94007 92LeuHda* {*}H 92LeuCda 4.08300e+06 6.13738e+07 28.48804 137.48994 124.87143 1.00000 None parabolic box sum 1963 2531 0.73163 8.44178 25.93897 92LeuHda* 92LeuH 92LeuCda 2.60209e+07 3.89601e+08 23.22555 49.83637 119.62791 1.00000 None parabolic box sum 1964 2532 0.74826 7.61314 26.10776 11LeuHda* 11LeuH 11LeuCda 2.29004e+07 3.78375e+08 27.03488 54.27984 131.34210 1.00000 None parabolic box sum 1965 2533 0.74975 8.01601 26.21415 11LeuHda* 8ThrH 11LeuCda 4.73386e+06 1.05052e+08 35.76398 87.31493 168.72497 1.00000 None None box sum 1966 2555 1.43318 8.32230 43.20445 43LeuHba 44AspH 43LeuCb 6.60773e+06 1.13338e+08 30.88415 49.42139 132.66099 1.00000 None parabolic box sum 1967 2556 1.78787 8.32840 43.23363 43LeuHbb 44AspH 43LeuCb 4.18498e+06 7.16702e+07 27.90272 125.30802 125.83434 1.00000 None parabolic box sum 1968 2558 1.43265 7.92848 43.22018 43LeuHba 43LeuH 43LeuCb 9.80408e+06 1.66574e+08 30.51996 48.51647 126.96485 1.00000 None parabolic box sum 1969 2559 2.12458 1.37774 42.36708 78LeuHbb 74LeuHba 78LeuCb 7.68940e+06 1.50126e+08 39.99472 66.56250 135.69313 1.00000 None parabolic box sum 1970 2561 2.12221 0.81736 42.32894 78LeuHbb 78LeuHda* 78LeuCb 1.58702e+07 3.18091e+08 43.38086 55.36941 152.56447 1.00000 None parabolic box sum 1971 2562 2.12448 1.04863 42.33850 78LeuHbb 78LeuHdb* 78LeuCb 1.22934e+07 2.38595e+08 41.19933 48.49119 158.39164 1.00000 None parabolic box sum 1972 2563 1.75621 1.05363 42.14969 78LeuHba 78LeuHdb* 78LeuCb 1.00703e+07 2.05152e+08 38.58984 45.22308 276.19756 1.00000 None parabolic box sum 1973 2564 1.75714 1.38315 42.63664 78LeuHba (59Ala/74Leu)Hb* 78LeuCb 9.72198e+06 2.28848e+08 42.85038 167.72715 233.07653 1.00000 None parabolic box sum 1974 2565 1.75083 4.03794 42.34558 78LeuHba 78LeuHa 78LeuCb 6.50327e+06 1.25604e+08 45.63749 54.13432 141.53549 1.00000 None parabolic box sum 1975 2566 2.11798 3.68604 42.34484 78LeuHbb 75SerHba 78LeuCb 2.08114e+06 3.97852e+07 37.10568 63.32665 147.50298 1.00000 None parabolic box sum 1976 2567 1.75228 7.63395 42.40533 78LeuHba 79IleH 78LeuCb 1.31640e+07 2.70608e+08 43.47682 64.77745 156.23709 1.00000 None None box sum 1977 2568 1.68165 4.23974 42.10334 6LeuHbb 6LeuHa 6LeuCb 1.62513e+07 3.07062e+08 39.95955 58.55549 130.70963 1.00000 None parabolic box sum 1978 2569 1.57751 4.23674 42.06317 6LeuHba 6LeuHa 6LeuCb 1.87536e+07 3.50447e+08 42.24122 61.34819 131.46784 1.00000 None parabolic box sum 1979 2570 2.87601 7.60086 34.88769 19GlnHgb 18GluH 19GlnCg 1.58177e+06 2.89670e+07 41.28218 47.36578 124.69325 1.00000 None parabolic box sum 1980 2571 2.86297 1.35424 35.64816 67GlnHgb 74LeuHba 67GlnCg 1.80680e+06 3.42865e+07 35.80451 83.15823 130.15605 1.00000 None parabolic box sum 1981 2572 2.23544 0.81095 35.78072 90GluHgb 93LeuHda* 90GluCg 2.55113e+06 6.77778e+07 77.27563 57.25430 315.45668 1.00000 None None box sum 1982 2573 2.22939 8.55489 35.81824 90GluHgb 89AlaH 90GluCg 1.79811e+06 3.17967e+07 31.23343 61.08371 135.71527 1.00000 None parabolic box sum 1983 2574 2.46729 7.58570 36.41491 94GluHgb 94GluH 94GluCg 1.24711e+07 2.33048e+08 36.13114 52.80048 133.76664 1.00000 None parabolic box sum 1984 2575 2.31419 7.58368 36.49093 94GluHga 94GluH 94GluCg 1.55812e+07 2.98684e+08 32.87852 61.18674 151.99018 1.00000 None parabolic box sum 1985 2576 2.46943 7.46808 36.45486 94GluHgb 95GlnH 94GluCg 2.01669e+06 3.33033e+07 34.43658 184.43258 123.64276 1.00000 None parabolic box sum 1986 2577 2.46482 4.07594 36.39012 94GluHgb 94GluHa 94GluCg 1.57363e+07 2.84377e+08 32.41599 53.30853 133.68986 1.00000 None parabolic box sum 1987 2579 2.31497 2.46256 36.40018 94GluHga 94GluHgb 94GluCg 2.95579e+08 4.97308e+09 25.43688 155.50442 134.92971 1.00000 None parabolic box sum 1988 2580 2.46700 2.31788 36.40699 94GluHgb 94GluHga 94GluCg 2.40301e+08 3.96918e+09 26.97110 48.79857 131.84112 1.00000 None parabolic box sum 1989 2586 1.21824 1.94034 26.71805 99IleHg1a 99IleHb 99IleCg1 3.09959e+07 5.92960e+08 74.33176 58.43764 133.43642 1.00000 None parabolic box sum 1990 2587 1.21202 0.84079 26.63130 99IleHg1a 99IleHd1* 99IleCg1 4.35054e+07 8.47634e+08 36.88931 94.56832 132.36130 1.00000 None parabolic box sum 1991 2588 1.50634 8.07542 24.56350 50LysHga 51AspH 50LysCg 2.24571e+06 4.08983e+07 36.69679 56.23820 120.10064 1.00000 None parabolic box sum 1992 2590 1.48499 9.29855 24.84230 25LysHga 29AspH 25LysCg 1.90814e+06 3.37174e+07 53.43556 44.70095 125.45780 1.00000 None parabolic box sum 1993 2591 2.05243 7.33187 26.92950 83ProHgb 84ThrH 83ProCg 3.60908e+06 6.43518e+07 33.74755 48.57400 137.08887 1.00000 None parabolic box sum 1994 2592 2.05348 5.09463 26.92964 83ProHgb 83ProHa 83ProCg 2.09172e+06 3.66401e+07 32.27115 50.13758 133.30041 1.00000 None parabolic box sum 1995 2596 3.41502 6.18909 66.93935 88ValHa 91HisHd2 88ValCa 2.65125e+06 4.25065e+07 26.85964 49.13840 144.02652 1.00000 None parabolic box sum 1996 2597 3.42968 4.11911 67.28160 27ValHa {*}Ha 27ValCa 3.21341e+06 6.17508e+07 33.58901 165.20122 140.43090 1.00000 None parabolic box sum 1997 2599 3.41469 4.21923 66.94071 88ValHa 87AlaHa 88ValCa 2.95165e+06 5.42986e+07 35.40516 167.69848 135.98428 1.00000 None parabolic box sum 1998 2601 3.43626 0.77529 67.31479 27ValHa {*}Hda* 27ValCa 4.76472e+07 8.41154e+08 30.98667 52.39276 142.00565 1.00000 None parabolic box sum 1999 2602 3.43543 1.64540 67.34141 27ValHa (26Leu/31Ala)(Hg/Hb*) 27ValCa 4.79110e+06 8.89862e+07 29.82616 120.39023 139.72498 1.00000 None parabolic box sum 2000 2603 3.43761 1.85278 67.30088 27ValHa 66LeuHg 27ValCa 2.15127e+06 4.05538e+07 32.31883 538.19968 129.70599 1.00000 None parabolic box sum 2001 2604 3.43654 2.02438 67.31114 27ValHa 30GlnHba 27ValCa 1.12852e+07 2.16260e+08 30.70414 259.04171 141.96923 1.00000 None parabolic box sum 2002 2605 3.42983 2.29628 67.22818 27ValHa 27ValHb 27ValCa 1.49078e+07 2.99611e+08 35.85577 98.66301 146.75921 1.00000 None parabolic box sum 2003 2606 3.43745 2.83139 67.31386 27ValHa 30GlnHgb 27ValCa 2.90489e+06 5.19063e+07 32.99415 49.10157 136.58350 1.00000 None parabolic box sum 2004 2607 3.42915 3.76881 67.24535 27ValHa {*}H* 27ValCa 2.14283e+06 3.66087e+07 31.31211 72.05911 143.70568 1.00000 None parabolic box sum 2005 2608 3.43722 7.96313 67.35140 27ValHa 27ValH 27ValCa 1.65174e+07 2.83208e+08 30.15161 48.20013 138.24152 1.00000 None parabolic box sum 2006 2609 3.43597 8.31396 67.31708 27ValHa 30GlnH 27ValCa 5.53860e+06 1.02195e+08 28.92554 109.57997 137.68084 1.00000 None parabolic box sum 2007 2610 3.43657 8.90204 67.37991 27ValHa 31AlaH 27ValCa 3.73107e+06 6.13772e+07 28.58043 44.97055 131.79745 1.00000 None parabolic box sum 2008 2611 4.08463 0.89950 67.64568 23ThrHa {*}(Hga*/Hd*/Hdb*) 23ThrCa 6.43899e+06 1.22806e+08 29.87504 142.38343 140.38949 1.00000 None None box sum 2009 2614 4.34277 3.83500 60.71053 99IleHa 100GlyHab 99IleCa 3.13083e+06 4.56535e+07 36.91912 30.71889 130.66505 1.00000 None parabolic box sum 2010 2616 1.94716 0.80933 38.60395 99IleHb 99IleHd1* 99IleCb 2.48102e+07 4.97449e+08 31.20005 112.23312 139.97525 1.00000 None None box sum 2011 2617 0.90735 2.26911 17.60573 96IleHg2* 97ProHbb 96IleCg2 5.07710e+06 7.50907e+07 22.68314 41.11805 133.91731 1.00000 None parabolic box sum 2012 2619 0.90935 1.93975 17.69012 96IleHg2* 96IleHb 96IleCg2 1.28171e+08 2.06879e+09 23.44906 58.37433 135.55100 1.00000 None parabolic box sum 2013 2622 0.90976 1.23582 17.65925 96IleHg2* 96IleHg1a 96IleCg2 7.17089e+07 9.67007e+08 22.85242 37.00863 131.52708 1.00000 None parabolic box sum 2014 2623 0.90600 1.43102 17.74496 99IleHg2* 99IleHg1b 99IleCg2 3.79877e+07 5.38618e+08 23.39065 64.72300 134.00013 1.00000 None parabolic box sum 2015 2624 0.91262 1.63364 17.53727 96IleHg2* 96IleHg1b 96IleCg2 2.32010e+07 3.69014e+08 23.05031 67.44761 119.30269 1.00000 None parabolic box sum 2016 2626 1.40222 8.55800 17.73417 89AlaHb* 89AlaH 89AlaCb 8.16682e+07 1.26187e+09 25.03037 48.90587 127.96229 1.00000 None parabolic box sum 2017 2628 1.40286 8.42162 17.69035 89AlaHb* 92LeuH 89AlaCb 4.63588e+06 5.64584e+07 25.95127 27.95207 137.48180 1.00000 None parabolic box sum 2018 2630 1.39836 8.04943 17.73252 89AlaHb* 23ThrH 89AlaCb 3.86725e+06 5.70805e+07 21.64662 95.39600 135.93698 1.00000 None parabolic box sum 2019 2631 1.40600 7.96264 17.71106 89AlaHb* 27ValH 89AlaCb 4.33378e+06 7.06761e+07 25.30515 92.39307 141.67045 1.00000 None parabolic box sum 2020 2632 1.40167 7.81592 17.73792 89AlaHb* 90GluH 89AlaCb 2.79629e+07 4.29200e+08 24.53923 49.54253 128.62846 1.00000 None parabolic box sum 2021 2633 1.40147 7.67984 17.70922 89AlaHb* (25Lys/93Leu)H 89AlaCb 6.38115e+06 1.01371e+08 27.43185 53.69694 122.63444 1.00000 None parabolic box sum 2022 2634 1.40186 4.10461 17.74134 89AlaHb* 85ProHa 89AlaCb 1.70771e+07 2.82451e+08 64.44931 78.16928 129.47235 1.00000 None parabolic box sum 2023 2635 1.40236 3.93727 17.71197 89AlaHb* 86HisHa 89AlaCb 2.01572e+07 3.21115e+08 25.39396 180.51328 131.83508 1.00000 None parabolic box sum 2024 2636 1.40198 3.78425 17.72662 89AlaHb* 89AlaHa 89AlaCb 7.65990e+07 1.25546e+09 25.28489 71.16882 127.99251 1.00000 None parabolic box sum 2025 2637 1.39921 3.42188 17.73237 89AlaHb* (27Val/88Val)Ha 89AlaCb 3.30648e+06 5.20937e+07 22.61639 67.83542 136.62974 1.00000 None parabolic box sum 2026 2639 1.40251 2.29098 17.73409 89AlaHb* 88ValHb 89AlaCb 1.22085e+07 2.02289e+08 25.42913 74.52054 131.02443 1.00000 None parabolic box sum 2027 2640 1.40085 2.10523 17.71659 89AlaHb* 90GluHbb 89AlaCb 1.00841e+07 1.61367e+08 24.94097 268.34075 130.22859 1.00000 None parabolic box sum 2028 2641 1.40282 1.93673 17.71971 89AlaHb* (24Arg/20Arg)Hbb 89AlaCb 1.05144e+07 1.78240e+08 26.09611 267.00731 127.16282 1.00000 None parabolic box sum 2029 2643 1.40294 1.98523 17.65223 89AlaHb* (90Glu/92Leu)Hb* 89AlaCb 8.82134e+06 1.52355e+08 25.19667 268.02501 127.63464 1.00000 None None box sum 2030 2645 1.40222 1.09020 17.73206 89AlaHb* 27ValHga* 89AlaCb 4.07442e+07 6.24621e+08 24.96123 48.59789 130.40632 1.00000 None parabolic box sum 2031 2646 1.40469 0.89733 17.66874 89AlaHb* 88ValHga* 89AlaCb 1.11887e+07 1.74612e+08 24.93501 145.51178 121.89664 1.00000 None parabolic box sum 2032 2649 1.45751 0.92407 18.23990 12AlaHb* {*}(Hg2*/Hdb*/Hg2*) 12AlaCb 9.03162e+06 1.66786e+08 28.23532 74.81518 135.73205 1.00000 None parabolic box sum 2033 2651 1.45374 0.76969 18.13112 12AlaHb* (96Ile/11Leu)(Hd1*/Hd*) 12AlaCb 5.42699e+06 9.46069e+07 61.78498 36.66144 129.88886 1.00000 None parabolic box sum 2034 2652 1.58220 7.57202 17.88064 21AlaHb* 18GluH 21AlaCb 2.56656e+06 2.05955e+07 24.44088 19.15949 115.05298 1.00000 None parabolic box sum 2035 2653 1.52164 7.03088 18.07390 32AlaHb* 37TyrHd* 32AlaCb 1.42480e+07 2.16901e+08 24.12796 46.64073 123.53395 1.00000 None parabolic box sum 2036 2654 1.52191 6.83813 18.04223 32AlaHb* 37TyrHe* 32AlaCb 5.31177e+06 8.03698e+07 22.73202 51.99440 127.49802 1.00000 None parabolic box sum 2037 2655 1.53027 8.02311 18.07878 32AlaHb* 34ValH 32AlaCb 4.68073e+06 7.91498e+07 62.57355 56.37258 101.65856 1.00000 None parabolic box sum 2038 2656 1.52807 8.22899 17.90803 16AlaHb* 17ThrH 16AlaCb 1.91077e+07 3.02864e+08 23.89193 55.12156 128.72336 1.00000 None parabolic box sum 2039 2657 1.52130 8.90232 18.08564 32AlaHb* 31AlaH 32AlaCb 6.86045e+06 9.35134e+07 25.05720 34.86902 121.72284 1.00000 None parabolic box sum 2040 2658 1.52807 9.09050 17.83750 16AlaHb* 16AlaH 16AlaCb 1.51423e+07 2.35232e+08 23.65410 55.39768 123.44086 1.00000 None parabolic box sum 2041 2659 1.52728 9.30625 18.06036 32AlaHb* 29AspH 32AlaCb 2.49989e+06 3.64267e+07 21.36171 48.20745 124.27417 1.00000 None parabolic box sum 2042 2660 1.52966 7.16267 17.94063 32AlaHb* 30GlnHe2b 32AlaCb 2.23695e+06 3.09055e+07 21.64960 40.72327 130.89386 1.00000 None parabolic box sum 2043 2661 1.52078 4.50265 18.08464 32AlaHb* 40ThrHb 32AlaCb 4.08278e+06 6.01220e+07 25.02322 46.35704 119.54691 1.00000 None parabolic box sum 2044 2662 1.52586 4.74825 17.94112 16AlaHb* 15ThrHb 16AlaCb 3.28703e+06 5.44782e+07 26.28386 47.77728 128.14183 1.00000 None parabolic box sum 2045 2663 1.52181 4.35985 18.04240 32AlaHb* 29AspHa 32AlaCb 2.94670e+07 4.80286e+08 27.40443 58.15733 113.20621 1.00000 None parabolic box sum 2046 2664 1.52878 4.16891 17.85164 16AlaHb* 16AlaHa 16AlaCb 8.15639e+07 1.34556e+09 57.47437 58.44202 124.51930 1.00000 None parabolic box sum 2047 2665 1.52191 3.85769 18.06988 32AlaHb* 32AlaHa 32AlaCb 7.74055e+07 1.23651e+09 25.02441 52.76425 122.82063 1.00000 None parabolic box sum 2048 2667 1.52238 3.33718 18.06624 32AlaHb* 37TyrHbb 32AlaCb 1.47102e+07 2.33697e+08 24.98448 51.41289 123.94683 1.00000 None parabolic box sum 2049 2669 1.52204 2.92991 18.06783 32AlaHb* 37TyrHba 32AlaCb 2.57988e+07 4.22719e+08 24.67990 61.91915 122.27053 1.00000 None parabolic box sum 2050 2670 1.52232 2.60000 18.05040 32AlaHb* 29AspHba 32AlaCb 3.88227e+06 5.21497e+07 23.69702 37.41635 124.15720 1.00000 None parabolic box sum 2051 2671 1.52696 2.48988 17.84004 16AlaHb* 19GlnHbb 16AlaCb 4.70155e+06 7.20904e+07 26.17478 75.41441 117.94284 1.00000 None parabolic box sum 2052 2674 1.52558 2.23120 17.90819 16AlaHb* 19GlnHga 16AlaCb 3.95302e+06 4.34414e+07 23.62788 23.83788 131.50411 1.00000 None parabolic box sum 2053 2675 1.52192 0.90345 18.07051 32AlaHb* 43LeuHdb* 32AlaCb 4.39566e+07 7.08467e+08 25.27177 62.30139 119.46469 1.00000 None parabolic box sum 2054 2676 1.52413 0.64259 18.04995 32AlaHb* 35LeuHdb* 32AlaCb 4.13831e+06 5.87076e+07 25.07687 34.28004 119.89994 1.00000 None parabolic box sum 2055 2678 4.36551 1.25488 62.11248 3ThrHa 3ThrHg2* 3ThrCa 4.90761e+07 7.11199e+08 22.12465 45.03356 135.26446 1.00000 None parabolic box sum 2056 2680 4.42886 1.26427 52.83325 4AlaHa 3ThrHg2* 4AlaCa 1.27040e+07 2.02083e+08 28.60367 34.41462 219.08515 1.00000 None parabolic box sum 2057 2682 1.40466 0.82034 19.01473 4AlaHb* 72LeuHda* 4AlaCb 1.57068e+07 2.16315e+08 22.22121 78.66579 128.41657 1.00000 None parabolic box sum 2058 2683 1.40998 3.86382 19.06981 59AlaHb* 59AlaHa 59AlaCb 5.72311e+07 9.48159e+08 26.15213 53.77040 127.73136 1.00000 None parabolic box sum 2059 2684 1.40593 4.00691 19.03407 59AlaHb* 56SerHa 59AlaCb 9.94265e+06 1.53037e+08 23.77868 157.81892 128.04541 1.00000 None parabolic box sum 2060 2685 1.40766 4.26921 19.01042 4AlaHb* 8ThrHb 4AlaCb 2.65993e+07 4.55830e+08 27.78053 59.37889 129.17675 1.00000 None parabolic box sum 2061 2686 1.40205 4.42987 18.98923 4AlaHb* 4AlaHa 4AlaCb 1.09857e+08 1.42970e+09 17.67397 50.73203 130.06114 1.00000 None parabolic box sum 2062 2687 1.41072 4.14389 19.07876 59AlaHb* {*}H* 59AlaCb 9.23715e+06 1.23725e+08 20.77997 249.11755 135.90131 1.00000 None parabolic box sum 2063 2688 1.40289 8.14804 18.98870 4AlaHb* 5ThrH 4AlaCb 8.54504e+06 1.25728e+08 22.38452 54.77665 125.06245 1.00000 None parabolic box sum 2064 2689 1.40253 8.46006 18.93586 4AlaHb* 4AlaH 4AlaCb 5.06564e+06 7.10295e+07 22.33982 50.06750 130.38274 1.00000 None parabolic box sum 2065 2690 1.41137 8.35474 19.05933 59AlaHb* 57LeuH 59AlaCb 3.39646e+06 5.58007e+07 23.06283 180.96251 141.41927 1.00000 None parabolic box sum 2066 2691 1.40491 8.02319 19.07249 4AlaHb* 8ThrH 4AlaCb 2.61198e+06 3.68835e+07 20.50698 50.44705 130.78081 1.00000 None parabolic box sum 2067 2692 1.40890 7.65711 19.08410 59AlaHb* (63Arg/61Glu)H 59AlaCb 9.57855e+06 1.59622e+08 26.59857 59.69971 118.30132 1.00000 None parabolic box sum 2068 2693 1.41212 7.39395 19.07466 59AlaHb* 54PheHd* 59AlaCb 7.15332e+06 1.15266e+08 24.34790 187.26728 135.18557 1.00000 None parabolic box sum 2069 2694 1.41006 7.20835 19.06269 59AlaHb* (54Phe/60Leu)(He*/H) 59AlaCb 3.38779e+07 5.75232e+08 25.64788 62.83651 128.81102 1.00000 None parabolic box sum 2070 2695 1.40905 7.02894 19.05223 59AlaHb* 80PheHz 59AlaCb 1.12275e+07 1.81741e+08 25.17104 52.64141 128.65475 1.00000 None parabolic box sum 2071 2696 1.40492 2.84084 19.07342 59AlaHb* 54PheHbb 59AlaCb 4.13877e+06 5.90170e+07 24.48678 39.62654 123.32207 1.00000 None parabolic box sum 2072 2697 1.40853 2.66579 19.06988 59AlaHb* 54PheHba 59AlaCb 6.51669e+06 9.63985e+07 25.87438 41.70932 122.03235 1.00000 None parabolic box sum 2073 2698 1.40425 2.74095 19.00848 59AlaHb* 49PheHbb 59AlaCb 2.29906e+06 3.47649e+07 25.29800 91.75293 141.46099 1.00000 None parabolic box sum 2074 2700 1.40608 0.70137 19.03879 59AlaHb* 79IleHg1b 59AlaCb 9.88995e+06 1.40571e+08 23.65172 84.96310 125.35987 1.00000 None parabolic box sum 2075 2701 1.41317 0.63677 19.07319 59AlaHb* 79IleHg1b 59AlaCb 1.74428e+07 2.79584e+08 25.49291 58.15255 130.54687 1.00000 None parabolic box sum 2076 2702 4.42924 8.12554 61.70849 5ThrHa 5ThrH 5ThrCa 2.26239e+06 3.91720e+07 28.79620 245.00545 142.05431 1.00000 None parabolic box sum 2077 2703 4.42922 8.35366 61.67557 5ThrHa 7LeuH 5ThrCa 1.86356e+06 3.05741e+07 29.39045 248.83705 117.78204 1.00000 None parabolic box sum 2078 2706 4.41109 1.39481 70.12843 5ThrHb 4AlaHb* 5ThrCb 3.77686e+06 4.23316e+07 15.68913 30.85426 338.10538 1.00000 None parabolic box sum 2079 2708 4.40921 3.99319 70.21132 5ThrHb 9SerHba 5ThrCb 2.54307e+06 3.59634e+07 23.64814 37.48921 130.90262 1.00000 None parabolic box sum 2080 2711 1.24143 8.15088 21.75370 5ThrHg2* 5ThrH 5ThrCg2 6.36040e+06 9.15185e+07 21.56138 148.98832 115.71341 1.00000 None parabolic box sum 2081 2712 1.24367 4.41492 21.73795 5ThrHg2* 5ThrHb 5ThrCg2 1.08980e+08 1.64679e+09 22.31359 58.42330 123.31300 1.00000 None parabolic box sum 2082 2714 4.24028 8.23634 56.90088 6LeuHa 6LeuH 6LeuCa 8.48250e+06 1.50411e+08 28.22340 116.13768 129.19367 1.00000 None None box sum 2083 2715 4.23254 8.02106 56.93880 6LeuHa 8ThrH 6LeuCa 2.50332e+06 4.62935e+07 38.09690 46.73112 185.39795 1.00000 None parabolic box sum 2084 2716 4.23477 7.89883 56.89096 6LeuHa 9SerH 6LeuCa 2.71767e+06 4.52002e+07 28.49042 44.15472 160.96005 1.00000 None parabolic box sum 2085 2717 1.58237 4.35645 42.01514 6LeuHba 3ThrHa 6LeuCb 5.28045e+06 1.06694e+08 226.27771 174.73916 132.58346 1.00000 None parabolic box sum 2086 2719 1.67803 4.48929 42.02476 6LeuHbb (70Thr/4Ala)Ha 6LeuCb 2.73565e+06 5.36023e+07 142.91286 236.80882 143.14198 1.00000 None parabolic box sum 2087 2720 1.68521 8.02474 42.16882 6LeuHbb 8ThrH 6LeuCb 2.16409e+06 3.96516e+07 37.87220 49.07877 129.44061 1.00000 None parabolic box sum 2088 2722 1.58135 8.25483 42.06857 6LeuHba 6LeuH 6LeuCb 8.96337e+06 1.68896e+08 34.14452 135.90974 130.27771 1.00000 None parabolic box sum 2089 2723 1.67862 8.31689 42.08774 6LeuHbb 7LeuH 6LeuCb 7.78833e+06 1.57772e+08 41.20529 106.97471 132.90347 1.00000 None parabolic box sum 2090 2724 1.68591 0.91519 42.06958 6LeuHbb 6LeuHdb* 6LeuCb 3.82741e+07 7.52925e+08 67.73889 59.78342 136.69269 1.00000 None parabolic box sum 2091 2726 0.92636 7.63737 25.00704 28LeuHdb* 25LysH 28LeuCdb 2.96845e+06 4.13713e+07 21.01004 68.50125 142.35898 1.00000 None parabolic box sum 2092 2728 0.93971 8.63938 24.82847 6LeuHdb* 71GlyH 6LeuCdb 2.15774e+06 3.55067e+07 22.11690 59.80721 134.43689 1.00000 None parabolic box sum 2093 2729 0.92669 8.32221 24.73605 6LeuHdb* 7LeuH 6LeuCdb 7.49945e+06 1.24982e+08 22.47334 86.80280 151.77996 1.00000 None parabolic box sum 2094 2731 0.93059 4.47753 23.48978 57LeuHda* 57LeuHa 57LeuCda 4.73948e+07 6.82215e+08 20.46525 52.61573 132.80652 1.00000 None parabolic box sum 2095 2732 0.90234 8.54791 23.09812 88ValHga* (88Val/89Ala)H 88ValCga 2.60966e+07 4.43384e+08 27.82047 61.83793 127.79393 1.00000 None parabolic box sum 2096 2733 0.91702 7.72933 22.98550 7LeuHdb* 10LysH 7LeuCdb 1.04591e+07 1.88234e+08 26.31783 119.89373 141.69977 1.00000 None parabolic box sum 2097 2734 0.91090 7.63313 22.81868 7LeuHdb* 11LeuH 7LeuCdb 1.10202e+07 2.25081e+08 103.63102 82.46225 135.27595 1.00000 None parabolic box sum 2098 2735 1.49921 7.60968 42.17248 11LeuHba 11LeuH 11LeuCb 7.99089e+06 1.50308e+08 40.28678 46.87844 327.14003 1.00000 None parabolic box sum 2099 2736 1.51118 8.33032 41.98920 7LeuHba 7LeuH 7LeuCb 1.23684e+07 2.35166e+08 83.51266 51.29225 135.92390 1.00000 None parabolic box sum 2100 2737 1.84282 8.32725 42.00509 7LeuHbb 7LeuH 7LeuCb 1.40227e+07 2.53640e+08 37.37628 49.63012 130.20199 1.00000 None parabolic box sum 2101 2738 1.84158 8.01966 41.98454 7LeuHbb 8ThrH 7LeuCb 6.85909e+06 1.23025e+08 37.62066 47.59970 129.93382 1.00000 None parabolic box sum 2102 2739 1.50985 8.02204 42.00383 7LeuHba 8ThrH 7LeuCb 4.17704e+06 7.77520e+07 40.47155 50.67858 128.70470 1.00000 None parabolic box sum 2103 2740 1.84494 4.50185 41.94545 7LeuHbb 4AlaHa 7LeuCb 3.94673e+06 7.85887e+07 49.56603 62.62230 137.27000 1.00000 None parabolic box sum 2104 2741 1.84350 4.18149 41.93761 7LeuHbb 7LeuHa 7LeuCb 1.29139e+07 2.57902e+08 42.82117 65.95172 153.17819 1.00000 None parabolic box sum 2105 2742 1.50716 4.18160 42.01369 7LeuHba 7LeuHa 7LeuCb 1.35203e+07 2.65667e+08 71.24245 68.05759 133.63825 1.00000 None parabolic box sum 2106 2743 1.50951 4.50735 42.00079 7LeuHba 4AlaHa 7LeuCb 4.21200e+06 8.10168e+07 83.79042 51.58290 134.55363 1.00000 None parabolic box sum 2107 2744 1.51282 1.84116 42.06933 7LeuHba 7LeuHbb 7LeuCb 4.29760e+07 9.63931e+08 70.06705 93.27669 298.75770 1.00000 None None box sum 2108 2745 1.84105 1.52779 41.90425 7LeuHbb 7LeuHba 7LeuCb 4.85403e+07 1.02976e+09 69.77975 75.65609 264.53422 1.00000 None parabolic box sum 2109 2746 1.84263 1.29201 42.00884 7LeuHbb 70ThrHg2* 7LeuCb 8.40498e+06 1.58755e+08 37.33814 59.03169 152.04285 1.00000 None parabolic box sum 2110 2747 1.51440 1.29481 41.96249 7LeuHba (70Thr/8Thr)Hg2* 7LeuCb 7.91795e+06 1.51986e+08 80.41680 473.28596 329.61535 1.00000 None parabolic box sum 2111 2748 1.84195 0.87773 41.99121 7LeuHbb 7LeuHda* 7LeuCb 2.81672e+07 5.74636e+08 42.31989 84.34754 146.73911 1.00000 None parabolic box sum 2112 2750 1.50189 0.76208 42.13210 11LeuHba 11LeuHdb* 11LeuCb 3.49807e+07 6.95463e+08 41.13376 136.79366 267.60732 1.00000 None parabolic box sum 2113 2754 0.88447 4.21824 23.47930 6LeuHda* 6LeuHa 6LeuCda 5.99811e+07 1.07862e+09 27.86160 79.86823 141.52083 1.00000 None parabolic box sum 2114 2755 0.89675 4.34993 26.16729 14LeuHdb* 11LeuHa 14LeuCdb 3.21382e+07 4.68226e+08 20.98322 58.14698 130.66988 1.00000 None parabolic box sum 2115 2757 0.89970 4.22918 26.06187 43LeuHdb* 40ThrHa 43LeuCdb 1.69977e+07 2.61983e+08 21.34323 140.26044 134.72191 1.00000 None parabolic box sum 2116 2758 0.90081 4.50317 26.01550 43LeuHdb* {*}H* 43LeuCdb 1.17518e+07 1.87987e+08 22.57943 50.73721 177.75302 1.00000 None parabolic box sum 2117 2759 0.89846 4.73595 26.24845 14LeuHdb* 14LeuHa 14LeuCdb 3.71167e+06 5.50558e+07 22.30048 51.11865 131.73836 1.00000 None parabolic box sum 2118 2760 0.89970 3.85274 26.09578 43LeuHdb* 32AlaHa 43LeuCdb 2.97282e+07 4.65833e+08 22.65096 53.37861 140.42244 1.00000 None parabolic box sum 2119 2762 0.81291 3.89245 25.51495 93LeuHda* 93LeuHa None 5.85864e+07 9.40665e+08 23.53609 56.45121 135.06255 1.00000 None parabolic box sum 2120 2765 0.93047 1.74258 23.49792 57LeuHda* 57LeuHba 57LeuCda 8.12953e+07 1.20765e+09 22.17770 48.55171 128.60246 1.00000 None parabolic box sum 2121 2769 0.81296 7.65434 25.63546 93LeuHda* 93LeuH None 1.14607e+07 2.22347e+08 31.37469 100.42925 151.58138 1.00000 None parabolic box sum 2122 2770 0.81435 8.01068 25.52347 93LeuHda* 20ArgH None 7.56327e+06 1.31682e+08 38.91885 59.09400 126.32739 1.00000 None parabolic box sum 2123 2772 0.90305 6.59457 23.10316 88ValHga* 49PheHz 88ValCga 8.74659e+06 1.42580e+08 28.03266 50.20407 129.35296 1.00000 None parabolic box sum 2124 2774 0.90855 3.81220 22.96828 7LeuHdb* 23ThrHb 7LeuCdb 1.56962e+07 2.80527e+08 26.67189 89.04424 141.04236 1.00000 None parabolic box sum 2125 2775 0.89961 3.61904 23.13375 62LeuHdb* (63Arg/65His)(Ha/Hbb) 62LeuCdb 1.13367e+07 2.13387e+08 39.81233 193.90183 128.18807 1.00000 None parabolic box sum 2126 2777 0.90113 2.32196 23.10402 88ValHga* 88ValHb 88ValCga 4.98380e+07 8.69137e+08 28.93388 72.82318 124.67406 1.00000 None parabolic box sum 2127 2778 0.92132 1.54613 22.87307 7LeuHdb* 7LeuHba 7LeuCdb 1.29246e+08 2.28761e+09 25.92921 87.35564 124.22370 1.00000 None parabolic box sum 2128 2779 0.91519 1.95110 22.86501 7LeuHdb* 10LysHbb 7LeuCdb 5.24651e+07 9.47303e+08 27.46820 142.76766 128.27754 1.00000 None parabolic box sum 2129 2780 0.89975 1.31399 23.10573 88ValHga* 88ValHgb* 88ValCga 1.18367e+08 1.92944e+09 25.77603 57.77430 127.66124 1.00000 None parabolic box sum 2130 2782 0.89573 0.01287 23.15092 62LeuHdb* 79IleHd1* 62LeuCdb 1.02796e+07 1.36147e+08 22.12167 35.62940 130.91652 1.00000 None parabolic box sum 2131 2783 4.10446 1.30056 68.54204 17ThrHb 17ThrHg2* 17ThrCb 6.70190e+07 1.22563e+09 38.98799 50.21920 131.49504 1.00000 None parabolic box sum 2132 2784 4.10130 1.54048 68.51145 17ThrHb 16AlaHb* 17ThrCb 5.05118e+06 8.06978e+07 27.48311 44.02980 136.83241 1.00000 None parabolic box sum 2133 2785 4.10019 2.37183 68.54072 17ThrHb 18GluHbb 17ThrCb 4.88818e+06 9.06156e+07 32.93991 94.41941 134.74277 1.00000 None parabolic box sum 2134 2786 4.10167 3.96802 68.55058 17ThrHb 17ThrHa 17ThrCb 3.78439e+07 5.74427e+08 25.92266 38.47784 132.62290 1.00000 None parabolic box sum 2135 2787 4.10261 9.14985 68.51975 17ThrHb 19GlnH 17ThrCb 1.98074e+06 3.46005e+07 26.58486 128.26515 131.63347 1.00000 None parabolic box sum 2136 2788 1.75122 1.50899 29.32840 20ArgHgb 20ArgHga 20ArgCg 4.85509e+07 9.94558e+08 73.35544 55.40007 149.96704 1.00000 None None box sum 2137 2789 1.75122 1.94969 29.32840 20ArgHgb 20ArgHbb 20ArgCg 1.86421e+07 3.95826e+08 246.38474 179.07911 231.34279 1.00000 None parabolic box sum 2138 2790 1.98025 7.79499 32.11524 25LysHbb 26LeuH 25LysCb 8.85358e+06 1.76579e+08 46.63467 128.41586 180.37100 1.00000 None None box sum 2139 2791 1.88407 7.79365 32.11524 25LysHba 26LeuH 25LysCb 8.47896e+06 1.61539e+08 47.71054 45.40435 175.09953 1.00000 None None box sum 2140 2792 1.98426 8.08534 32.11524 50LysHbb 51AspH 50LysCb 1.04412e+07 2.10499e+08 61.94890 55.06721 131.96353 1.00000 None None box sum 2141 2793 1.88693 1.09846 32.11803 25LysHba 22ValHgb* 25LysCb 3.33439e+06 6.01627e+07 310.33158 44.35549 157.60200 1.00000 None parabolic box sum 2142 2794 1.49081 3.98848 24.86983 25LysHga 25LysHa 25LysCg 1.71096e+07 3.28340e+08 50.48275 52.02088 126.15390 1.00000 None parabolic box sum 2143 2795 1.49807 3.71613 24.90782 25LysHga 22ValHa 25LysCg 3.22100e+06 6.09428e+07 47.06681 53.82813 120.77860 1.00000 None parabolic box sum 2144 2796 1.49609 7.69013 24.88237 25LysHga 25LysH 25LysCg 6.29810e+06 1.31070e+08 50.58348 118.48593 127.12746 1.00000 None parabolic box sum 2145 2797 1.49994 7.78054 24.88237 25LysHga 26LeuH 25LysCg 5.03334e+06 1.07243e+08 51.94426 123.31761 131.21273 1.00000 None None box sum 2146 2798 4.40125 8.83357 64.49519 48SerHbb 48SerH 48SerCb 6.69855e+06 1.22440e+08 31.06296 104.37402 133.07825 1.00000 None None box sum 2147 2799 4.62258 3.80030 56.53865 48SerHa 85ProHdb 48SerCa 2.79415e+06 5.06065e+07 31.31628 51.34042 158.04994 1.00000 None parabolic box sum 2148 2800 4.62215 2.69899 56.31516 46HisHa 86HisHba 46HisCa 2.78567e+06 5.85481e+07 31.94809 82.40929 214.50176 1.00000 None parabolic box sum 2149 2802 4.62220 1.96249 56.36824 48SerHa 83Pro(Hba/Hga) 48SerCa 2.68070e+06 4.89950e+07 27.90272 120.36953 170.75733 1.00000 None parabolic box sum 2150 2804 4.03781 1.87222 64.47717 48SerHba 50LysHba 48SerCb 2.69968e+06 4.73353e+07 28.75209 155.85559 124.04416 1.00000 None parabolic box sum 2151 2806 4.08988 6.91740 66.13965 85ProHa 49PheHd* 85ProCa 1.77522e+06 3.63506e+07 29.33621 136.38793 128.94975 1.00000 None None box sum 2152 2807 4.08687 4.40954 66.15714 85ProHa 84ThrHb 85ProCa 2.05647e+06 3.67812e+07 36.87143 41.73281 131.43474 1.00000 None parabolic box sum 2153 2809 4.08903 3.41681 66.17681 85ProHa 88ValHa 85ProCa 2.21983e+06 3.59329e+07 27.48847 50.59666 126.05400 1.00000 None parabolic box sum 2154 2811 1.94297 7.33526 26.92950 83ProHga 84ThrH 83ProCg 3.47465e+06 6.35677e+07 45.23516 37.05561 186.50602 1.00000 None parabolic box sum 2155 2812 0.99706 8.90141 21.33156 84ThrHg2* 48SerH 84ThrCg2 6.76703e+06 9.68583e+07 21.73901 47.60000 132.23043 1.00000 None parabolic box sum 2156 2814 0.99914 8.22759 21.34967 84ThrHg2* (87Ala/49Phe)H 84ThrCg2 9.97275e+06 1.60557e+08 23.98551 61.11507 130.20532 1.00000 None parabolic box sum 2157 2815 0.99906 7.53949 21.35090 84ThrHg2* 47GluH 84ThrCg2 1.80401e+06 2.43061e+07 21.50953 41.53174 121.92656 1.00000 None parabolic box sum 2158 2816 0.99663 7.00345 21.44892 84ThrHg2* 49PheHe* 84ThrCg2 2.66968e+06 3.68626e+07 18.40651 117.75521 140.50042 1.00000 None parabolic box sum 2159 2817 0.99594 6.92406 21.46039 84ThrHg2* 49PheHd* 84ThrCg2 2.83184e+06 4.38725e+07 19.46270 114.68340 195.45971 1.00000 None parabolic box sum 2160 2818 0.99834 4.62476 21.34609 84ThrHg2* (48Ser/46His)Ha 84ThrCg2 2.47804e+07 3.82549e+08 23.62370 52.60817 126.94278 1.00000 None parabolic box sum 2161 2819 0.99864 4.40469 21.34648 84ThrHg2* 84ThrHb 84ThrCg2 4.79343e+07 7.72215e+08 23.64516 67.58976 126.61544 1.00000 None parabolic box sum 2162 2820 0.99912 3.80023 21.33466 84ThrHg2* 85ProHdb 84ThrCg2 7.87321e+06 1.23288e+08 23.97239 54.32265 127.82990 1.00000 None parabolic box sum 2163 2821 1.00040 4.04244 21.30977 84ThrHg2* (45Thr/48Ser)Hb 84ThrCg2 7.79836e+06 1.26425e+08 25.92504 47.34289 281.00900 1.00000 None parabolic box sum 2164 2822 1.00161 2.90215 21.40222 84ThrHg2* 86HisHbb 84ThrCg2 2.20026e+06 3.49853e+07 23.33522 97.98096 128.50725 1.00000 None parabolic box sum 2165 2823 0.99863 2.70442 21.32130 84ThrHg2* 86HisHba 84ThrCg2 2.09724e+06 3.29726e+07 23.37158 60.79077 118.64770 1.00000 None parabolic box sum 2166 2824 0.99898 3.28900 21.30517 84ThrHg2* 46HisHbb 84ThrCg2 1.83156e+06 2.83598e+07 23.99325 52.31791 131.90490 1.00000 None parabolic box sum 2167 2825 0.99920 2.50522 21.33356 84ThrHg2* 85ProHda 84ThrCg2 6.61086e+06 1.03738e+08 23.22137 149.58457 123.15764 1.00000 None parabolic box sum 2168 2827 0.99979 2.05891 21.28702 84ThrHg2* 83ProHgb 84ThrCg2 7.39323e+06 1.30371e+08 25.77305 128.20055 402.60217 1.00000 None parabolic box sum 2169 2828 0.99954 1.96159 21.31769 84ThrHg2* 83ProHba 84ThrCg2 1.53568e+07 2.41425e+08 24.60361 66.30370 119.85702 1.00000 None parabolic box sum 2170 2829 0.99724 1.73725 21.32359 84ThrHg2* 87AlaHb* 84ThrCg2 9.75833e+06 1.45627e+08 22.72069 49.09002 136.62279 1.00000 None parabolic box sum 2171 2830 1.15269 4.09371 21.06252 27ValHgb* 85ProHa 27ValCgb 3.48562e+07 5.69494e+08 25.28429 57.57363 128.73636 1.00000 None parabolic box sum 2172 2831 3.84563 7.59180 61.89919 79IleHa 80PheH 79IleCa 7.34687e+06 1.44866e+08 28.61500 100.96507 139.34248 1.00000 None None box sum 2173 2840 4.33140 1.64640 58.94975 96IleHa 96IleHg1b 96IleCa 1.62595e+07 3.45192e+08 30.41863 67.06976 229.53350 1.00000 None None box sum 2174 2841 1.92157 0.90864 38.07661 96IleHb 96IleHg2* 96IleCb 5.57213e+07 1.11887e+09 41.18919 56.03036 160.08472 1.00000 None None box sum 2175 2842 1.64773 7.31146 26.82486 96IleHg1b 96IleH 96IleCg1 1.72940e+07 3.46025e+08 39.74378 72.10968 136.21052 1.00000 None parabolic box sum 2176 2843 1.64759 3.89479 26.85009 96IleHg1b 93LeuHa 96IleCg1 9.97306e+06 1.82255e+08 32.75275 66.40921 133.49959 1.00000 None parabolic box sum 2177 2844 1.64150 3.68476 26.83662 96IleHg1b 97ProHda 96IleCg1 2.70900e+06 5.13358e+07 38.97250 250.62340 127.68754 1.00000 None parabolic box sum 2178 2845 1.22082 3.67629 26.90165 96IleHg1a 97ProHda 96IleCg1 2.46266e+06 5.11762e+07 46.87905 89.38348 120.65256 1.00000 None parabolic box sum 2179 2846 1.23174 2.26198 26.91019 96IleHg1a 95GlnHbb 96IleCg1 2.10236e+06 3.61798e+07 30.00975 58.54036 130.92045 1.00000 None parabolic box sum 2180 2848 1.64655 1.23243 26.82977 96IleHg1b 96IleHg1a 96IleCg1 9.45714e+07 1.64168e+09 31.42953 52.76942 128.45224 1.00000 None parabolic box sum 2181 2851 0.73146 7.31079 13.11652 96IleHd1* 96IleH 96IleCd1 1.34157e+07 2.03523e+08 23.85259 48.34048 122.82465 1.00000 None parabolic box sum 2182 2853 0.73158 8.02261 13.13514 96IleHd1* 8ThrH 96IleCd1 4.29984e+06 6.40127e+07 23.31257 48.33431 123.46575 1.00000 None parabolic box sum 2183 2854 0.73185 7.62536 13.08617 96IleHd1* 11LeuH 96IleCd1 4.16516e+06 6.13883e+07 22.16101 59.93572 122.46852 1.00000 None parabolic box sum 2184 2855 0.72943 7.46778 13.11721 96IleHd1* 95GlnH 96IleCd1 3.46319e+06 5.56170e+07 25.45536 44.74111 131.08161 1.00000 None parabolic box sum 2185 2856 0.72942 4.48502 13.11146 96IleHd1* (97Pro/70Thr)Ha 96IleCd1 2.58675e+06 4.05686e+07 24.19293 46.43827 128.40588 1.00000 None parabolic box sum 2186 2857 0.73137 4.33236 13.11185 96IleHd1* 96IleHa 96IleCd1 2.13445e+07 3.32171e+08 23.68271 55.48169 123.63373 1.00000 None parabolic box sum 2187 2858 0.73149 4.15038 13.11879 96IleHd1* {*}H* 96IleCd1 7.78071e+06 1.29508e+08 24.74308 79.25945 124.87132 1.00000 None parabolic box sum 2188 2859 0.73153 3.89813 13.11595 96IleHd1* 97ProHdb 96IleCd1 2.40577e+07 3.71574e+08 23.31972 55.23603 123.38041 1.00000 None parabolic box sum 2189 2860 0.73111 3.70819 13.11398 96IleHd1* 97ProHda 96IleCd1 1.31184e+07 2.11357e+08 24.18637 63.04077 124.47281 1.00000 None parabolic box sum 2190 2861 0.73098 3.60002 13.11123 96IleHd1* 92LeuHa 96IleCd1 2.72661e+06 4.87154e+07 25.47324 142.23771 122.99154 1.00000 None None box sum 2191 2862 0.73201 2.26904 13.11176 96IleHd1* 97ProHbb 96IleCd1 4.43955e+06 6.86473e+07 26.45731 44.86036 120.25371 1.00000 None parabolic box sum 2192 2866 0.73162 1.64805 13.11196 96IleHd1* 96IleHg1b 96IleCd1 5.79146e+07 9.21561e+08 24.20664 61.85903 121.40001 1.00000 None parabolic box sum 2193 2868 0.72895 1.44724 13.10328 96IleHd1* {*}(Hg/Hb*/Hg1b) 96IleCd1 1.25477e+07 1.99193e+08 24.44685 190.82246 123.94279 1.00000 None parabolic box sum 2194 2869 0.73126 1.24328 13.11094 96IleHd1* 96IleHg1a 96IleCd1 7.85841e+07 1.23347e+09 24.13034 57.64291 122.90639 1.00000 None parabolic box sum 2195 2870 0.73175 0.88112 13.11244 96IleHd1* 96IleHg2* 96IleCd1 1.35664e+08 1.74337e+09 22.90130 38.89711 124.02215 1.00000 None parabolic box sum 2196 2871 0.91213 2.07649 17.58379 96IleHg2* 97ProHgb 96IleCg2 4.04848e+06 3.45620e+07 21.85285 20.01553 123.09810 1.00000 None parabolic box sum 2197 2873 0.83025 2.46106 13.34371 99IleHd1* 19GlnHbb 99IleCd1 2.21770e+06 3.14771e+07 24.27518 34.75345 129.07237 1.00000 None parabolic box sum 2198 2874 0.82731 2.26997 13.31975 99IleHd1* 97ProHbb 99IleCd1 2.72646e+06 3.42375e+07 23.42045 30.44615 116.99712 1.00000 None parabolic box sum 2199 2876 1.57214 8.33066 26.82791 6LeuHg 7LeuH 6LeuCg 5.06347e+06 8.52264e+07 73.11225 49.06494 135.44249 1.00000 None parabolic box sum 2200 2877 1.57129 8.02282 26.81155 6LeuHg 8ThrH 6LeuCg 2.25035e+06 3.85276e+07 58.89297 52.43487 140.13620 1.00000 None parabolic box sum 2201 2879 1.57677 4.18454 26.80767 6LeuHg 7LeuHa 6LeuCg 8.63197e+06 1.72794e+08 79.70452 60.11230 136.21838 1.00000 None parabolic box sum 2202 2881 1.57821 1.84058 26.82312 6LeuHg 7LeuHbb 6LeuCg 2.07626e+07 3.87717e+08 32.70209 75.18268 136.97734 1.00000 None parabolic box sum 2203 2883 0.83417 8.32185 24.21114 43LeuHda* 44AspH 43LeuCda 8.99928e+06 1.30178e+08 20.75195 56.86172 122.57792 1.00000 None parabolic box sum 2204 2884 0.83617 8.75690 24.28326 43LeuHda* 32AlaH 43LeuCda 4.88963e+06 6.69013e+07 21.28482 42.06029 138.92779 1.00000 None parabolic box sum 2205 2885 0.83404 7.92734 24.20719 43LeuHda* 43LeuH 43LeuCda 7.82239e+06 1.13550e+08 22.45784 43.07182 125.25318 1.00000 None parabolic box sum 2206 2886 0.85566 8.33714 25.71125 7LeuHda* 7LeuH 7LeuCda 5.62333e+06 8.84783e+07 51.83756 58.35980 109.32405 1.00000 None parabolic box sum 2207 2887 1.30167 8.24820 21.70813 17ThrHg2* 17ThrH 17ThrCg2 8.97293e+06 1.42189e+08 55.76909 122.51691 131.92152 1.00000 None parabolic box sum 2208 2888 1.30026 4.12016 21.64675 17ThrHg2* 17ThrHb 17ThrCg2 1.09770e+08 1.71992e+09 23.10812 59.40915 133.27320 1.00000 None parabolic box sum 2209 2889 1.28781 4.25516 22.13309 40ThrHg2* 40ThrHa 40ThrCg2 9.76160e+07 1.87454e+09 44.09373 69.89391 128.52357 1.00000 None parabolic box sum 2210 2890 1.29012 4.50581 21.92942 40ThrHg2* 40ThrHb 40ThrCg2 7.00656e+07 1.10996e+09 23.59509 50.68067 144.61592 1.00000 None parabolic box sum 2211 2891 0.88271 8.32635 23.56489 6LeuHda* 7LeuH 6LeuCda 6.18593e+06 1.09811e+08 33.21350 107.83504 136.94560 1.00000 None None box sum 2212 2892 0.88481 8.24165 23.56489 6LeuHda* 6LeuH 6LeuCda 7.33093e+06 1.20890e+08 22.38572 100.94367 135.61296 1.00000 None None box sum 2213 2894 0.93059 8.24302 24.73605 6LeuHdb* 6LeuH 6LeuCdb 4.72639e+06 7.38895e+07 20.06233 101.24836 141.23429 1.00000 None None box sum 2214 2896 4.13125 2.82721 57.69714 30GlnHa 30GlnHgb 30GlnCa 1.33349e+07 2.35838e+08 30.49850 55.68674 134.49824 1.00000 None parabolic box sum 2215 2897 4.18628 0.91718 57.55083 7LeuHa 7LeuHdb* 7LeuCa 5.84391e+07 1.05995e+09 35.69305 56.00169 136.51368 1.00000 None parabolic box sum 2216 2898 4.17715 8.01840 57.53030 7LeuHa 8ThrH 7LeuCa 5.84407e+06 1.11381e+08 68.95244 51.06957 127.16705 1.00000 None parabolic box sum 2217 2899 0.85485 8.02097 25.59694 7LeuHda* 8ThrH 7LeuCda 4.27581e+06 8.20762e+07 79.43153 57.86329 114.94992 1.00000 None None box sum 2218 2901 0.84765 4.34026 25.71027 7LeuHda* {*}Ha 7LeuCda 2.56018e+06 4.57545e+07 149.09446 212.44975 135.20945 1.00000 None parabolic box sum 2219 2902 0.85108 4.50825 25.71487 7LeuHda* 70ThrHa 7LeuCda 5.85780e+06 7.75333e+07 55.72140 51.25084 101.90883 1.00000 None parabolic box sum 2220 2907 1.49863 7.33992 42.21350 11LeuHba 12AlaH 11LeuCb 3.49887e+06 6.07953e+07 37.63974 55.25693 134.11959 1.00000 None parabolic box sum 2221 2910 1.50159 3.72098 42.11517 11LeuHba 8ThrHa 11LeuCb 3.37974e+06 6.27099e+07 40.00664 51.73062 146.61745 1.00000 None parabolic box sum 2222 2913 1.50288 1.79701 42.13683 11LeuHba 11LeuHbb 11LeuCb 4.14328e+07 8.49888e+08 41.58795 101.91200 324.36496 1.00000 None parabolic box sum 2223 2917 0.76841 3.84579 22.63475 11LeuHdb* 19GlnHa 11LeuCdb 3.91811e+07 6.17861e+08 23.13793 53.79230 143.48639 1.00000 None parabolic box sum 2224 2921 0.76948 1.92642 22.69616 11LeuHdb* 10LysHba 11LeuCdb 6.07002e+07 1.04613e+09 24.28353 93.62787 197.71000 1.00000 None parabolic box sum 2225 2922 0.89843 7.36802 26.23401 14LeuHdb* 14LeuH 14LeuCdb 1.33918e+07 1.97956e+08 22.33803 51.96554 137.10368 1.00000 None parabolic box sum 2226 2924 0.89684 7.62918 26.12307 14LeuHdb* 18GluH 14LeuCdb 5.73647e+06 8.20426e+07 19.45913 86.73023 135.39020 1.00000 None parabolic box sum 2227 2925 0.89639 7.16346 26.16273 14LeuHdb* 19GlnHe2b 14LeuCdb 4.31879e+06 5.09310e+07 16.38532 43.44112 138.63551 1.00000 None parabolic box sum 2228 2926 0.90100 6.83788 26.05333 43LeuHdb* 37TyrHe* 43LeuCdb 8.01255e+06 1.25268e+08 22.80533 51.18554 133.45184 1.00000 None parabolic box sum 2229 2927 0.89738 7.93496 26.05887 43LeuHdb* 43LeuH 43LeuCdb 4.94820e+06 7.36060e+07 17.55536 59.05190 173.88235 1.00000 None parabolic box sum 2230 2929 0.74720 4.34917 26.15866 11LeuHda* 11LeuHa 11LeuCda 1.41853e+07 2.58362e+08 28.89514 54.38118 259.65863 1.00000 None None box sum 2231 2930 0.75396 4.16098 26.15866 11LeuHda* 7LeuHa 11LeuCda 1.71498e+07 3.54919e+08 65.77253 66.11059 184.07015 1.00000 None None box sum 2232 2932 0.74748 1.94149 26.10899 11LeuHda* 10LysHba 11LeuCda 1.02657e+08 1.81493e+09 29.01554 69.68169 135.75200 1.00000 None parabolic box sum 2233 2933 0.75344 1.77368 26.07846 11LeuHda* 11LeuHbb 11LeuCda 3.60679e+07 6.76325e+08 27.69768 306.05373 176.00810 1.00000 None parabolic box sum 2234 2936 1.78990 4.50359 43.21701 43LeuHbb 43LeuHa 43LeuCb 1.19675e+07 2.18777e+08 35.35390 51.00597 135.62376 1.00000 None parabolic box sum 2235 2937 1.43368 4.50496 43.22138 43LeuHba 43LeuHa 43LeuCb 1.42385e+07 2.53696e+08 34.35016 50.87298 132.84030 1.00000 None parabolic box sum 2236 2938 1.75530 7.37282 43.19340 14LeuHba 14LeuH 14LeuCb 6.11156e+06 1.32969e+08 138.20827 45.02002 264.08326 1.00000 None None box sum 2237 2941 1.75487 1.91129 43.01765 14LeuHba 14LeuHbb 14LeuCb 1.88075e+07 4.25842e+08 83.32372 210.90966 186.15381 1.00000 None parabolic box sum 2238 2946 0.85104 8.87507 22.00004 14LeuHda* 15ThrH 14LeuCda 1.22710e+07 1.72844e+08 20.61546 47.27968 128.60367 1.00000 None parabolic box sum 2239 2947 0.85132 9.16083 21.98008 14LeuHda* 19GlnH 14LeuCda 4.22066e+06 6.10853e+07 25.79451 45.87278 122.47757 1.00000 None parabolic box sum 2240 2948 0.85203 7.60248 21.83996 14LeuHda* 18GluH 14LeuCda 2.83017e+06 4.46198e+07 22.85242 40.24130 354.46900 1.00000 None parabolic box sum 2241 2949 0.85224 7.37613 21.99255 14LeuHda* 14LeuH 14LeuCda 1.27219e+07 1.89582e+08 21.69609 46.48306 142.79604 1.00000 None parabolic box sum 2242 2950 0.85145 4.73134 21.98588 14LeuHda* 14LeuHa 14LeuCda 2.77605e+07 4.10238e+08 22.31300 51.58091 122.20040 1.00000 None parabolic box sum 2243 2951 0.85056 2.86676 21.97228 14LeuHda* 19GlnHgb 14LeuCda 3.80581e+06 5.52074e+07 20.53618 52.74235 148.02868 1.00000 None parabolic box sum 2244 2952 0.85144 2.38500 21.97611 14LeuHda* 18GluHbb 14LeuCda 1.47843e+07 2.32531e+08 22.13359 89.78044 129.86347 1.00000 None parabolic box sum 2245 2954 0.81454 8.88442 25.94415 74LeuHda* 67GlnH 74LeuCda 8.16085e+06 1.31366e+08 26.13127 54.90874 132.46951 1.00000 None parabolic box sum 2246 2955 0.90145 8.88681 26.15652 14LeuHdb* 15ThrH 14LeuCdb 4.80046e+06 7.42897e+07 22.81070 54.61947 134.95828 1.00000 None parabolic box sum 2247 2956 0.89709 8.52138 26.13744 14LeuHdb* 22ValH 14LeuCdb 3.84497e+06 6.01452e+07 21.67463 52.93545 153.05941 1.00000 None parabolic box sum 2248 2957 0.89877 9.16255 26.19104 14LeuHdb* 19GlnH 14LeuCdb 4.92249e+06 7.61215e+07 22.58003 55.08089 139.61360 1.00000 None parabolic box sum 2249 2958 0.89633 2.88847 26.16622 14LeuHdb* 19GlnHgb 14LeuCdb 7.75679e+06 1.22832e+08 23.06342 82.69517 132.54084 1.00000 None parabolic box sum 2250 2959 0.90021 3.72158 26.11382 14LeuHdb* 22ValHa 14LeuCdb 2.42419e+06 3.05347e+07 18.44823 535.07094 267.17450 1.00000 None parabolic box sum 2251 2960 0.89675 2.38722 26.18648 14LeuHdb* 18GluHbb 14LeuCdb 1.04159e+07 1.71183e+08 22.08352 147.08412 136.34200 1.00000 None parabolic box sum 2252 2961 0.89685 2.26606 26.16165 14LeuHdb* 19GlnHga 14LeuCdb 1.31231e+07 2.04055e+08 21.59178 136.52928 139.31951 1.00000 None parabolic box sum 2253 2962 0.89675 2.06249 26.15676 14LeuHdb* 18GluHba 14LeuCdb 1.92420e+07 2.91686e+08 20.46585 430.27745 159.67425 1.00000 None parabolic box sum 2254 2963 0.89687 1.90972 26.20007 14LeuHdb* 14LeuHbb 14LeuCdb 2.72746e+07 4.36034e+08 23.22197 348.33082 139.81853 1.00000 None parabolic box sum 2255 2965 0.89823 1.77159 26.36889 14LeuHdb* 14LeuHba 14LeuCdb 4.81226e+07 7.72359e+08 20.65241 137.72774 257.02538 1.00000 None None box sum 2256 2966 4.33583 3.44339 58.53454 26LeuHa 27ValHa 26LeuCa 1.70813e+06 2.66874e+07 25.95484 39.51187 146.37202 1.00000 None parabolic box sum 2257 2968 4.33433 1.48493 58.48567 26LeuHa 25LysHga 26LeuCa 2.89083e+06 4.27827e+07 25.06793 69.48261 337.61951 1.00000 None parabolic box sum 2258 2970 2.07189 1.61678 41.63000 26LeuHbb 26LeuHg 26LeuCb 1.78829e+07 3.37377e+08 107.51069 152.33426 135.16419 1.00000 None parabolic box sum 2259 2971 2.06590 2.21392 41.46547 57LeuHbb 61GluHga 57LeuCb 3.32358e+06 3.91498e+07 33.04601 25.04152 173.68195 1.00000 None parabolic box sum 2260 2972 1.73214 0.77246 41.75547 26LeuHba 26LeuHda* 26LeuCb 2.28868e+07 4.57643e+08 96.09103 52.31631 165.39382 1.00000 None parabolic box sum 2261 2973 2.07102 0.77108 41.59138 26LeuHbb 26LeuHda* 26LeuCb 3.25053e+07 6.78843e+08 76.02692 56.25173 138.79721 1.00000 None None box sum 2262 2979 0.78439 7.78602 23.39246 93LeuHda* 90GluH 93LeuCda 3.72794e+06 6.05778e+07 28.40579 170.07092 141.70823 1.00000 None parabolic box sum 2263 2980 0.78341 7.18697 23.05906 66LeuHda* 65HisHd2 66LeuCda 5.12839e+06 9.45146e+07 100.01898 55.60811 183.45143 1.00000 None None box sum 2264 2981 0.78335 3.99327 23.41633 28LeuHda* 28LeuHa 28LeuCda 6.21891e+07 9.91804e+08 23.41270 130.65601 125.01137 1.00000 None parabolic box sum 2265 2982 0.79468 3.89195 23.47906 93LeuHda* 93LeuHa 93LeuCda 8.54085e+07 1.42825e+09 24.21677 66.81175 133.45002 1.00000 None parabolic box sum 2266 2984 1.80678 1.96797 26.79528 28LeuHg 28LeuHbb 28LeuCg 3.07988e+07 6.12670e+08 44.27493 184.13774 143.75117 1.00000 None parabolic box sum 2267 2985 0.81404 9.29600 26.01068 74LeuHda* 74LeuH 74LeuCda 5.96624e+06 8.81085e+07 25.27416 46.41946 118.24540 1.00000 None parabolic box sum 2268 2986 0.88274 8.12830 25.32431 28LeuHdb* 45ThrH 28LeuCdb 1.67945e+06 2.45533e+07 21.11852 40.32332 171.89744 1.00000 None parabolic box sum 2269 2987 0.89328 2.62501 25.28810 28LeuHdb* 29AspHba 28LeuCdb 2.12586e+06 3.72996e+07 46.32890 74.72002 228.05033 1.00000 None parabolic box sum 2270 2988 0.78196 9.29760 23.40865 28LeuHda* 29AspH 28LeuCda 4.97464e+06 7.37439e+07 24.81818 45.53211 128.57254 1.00000 None parabolic box sum 2271 2989 0.78380 8.37978 23.61299 28LeuHda* 28LeuH 28LeuCda 1.46958e+07 2.60928e+08 25.44820 101.76677 135.94030 1.00000 None None box sum 2272 2991 1.38157 7.36341 42.09911 35LeuHbb 54PheHz 35LeuCb 1.97494e+06 3.57093e+07 30.56109 65.99771 173.47528 1.00000 None parabolic box sum 2273 2992 0.08907 2.66657 20.32901 35LeuHda* 54PheHba 35LeuCda 1.64941e+06 2.48882e+07 21.65437 50.86343 145.63422 1.00000 None parabolic box sum 2274 2993 0.80960 6.19206 25.92207 74LeuHda* 91HisHd2 74LeuCda 2.77307e+06 4.31460e+07 31.38065 49.30682 120.01389 1.00000 None parabolic box sum 2275 2994 1.79108 6.83718 43.08836 43LeuHbb 37TyrHe* 43LeuCb 1.92508e+06 3.82447e+07 47.62709 54.43951 186.73633 1.00000 None parabolic box sum 2276 2995 1.43383 4.23307 43.25942 43LeuHba 40ThrHa 43LeuCb 1.88639e+06 3.33918e+07 29.63960 60.68724 152.09635 1.00000 None parabolic box sum 2277 2996 1.78991 1.43500 43.21545 43LeuHbb 43LeuHba 43LeuCb 6.58919e+07 1.18541e+09 33.15449 52.93107 141.85165 1.00000 None parabolic box sum 2278 2997 1.43251 1.79295 43.22727 43LeuHba 43LeuHbb 43LeuCb 6.95298e+07 1.22378e+09 31.98028 51.88869 132.38790 1.00000 None parabolic box sum 2279 2998 1.43219 1.65497 43.22201 43LeuHba 43LeuHg 43LeuCb 3.35983e+07 5.91119e+08 33.05674 49.92855 136.11878 1.00000 None parabolic box sum 2280 2999 1.78760 1.65757 43.19453 43LeuHbb 43LeuHg 43LeuCb 3.43035e+07 6.39056e+08 42.02247 168.62938 140.09819 1.00000 None parabolic box sum 2281 3001 1.43286 0.88298 43.23667 43LeuHba 43LeuHda* 43LeuCb 2.55280e+07 4.94404e+08 34.51109 103.88568 131.26034 1.00000 None parabolic box sum 2282 3003 1.43256 0.81526 43.27873 43LeuHba 28LeuHda* 43LeuCb 2.23496e+07 4.36428e+08 33.72908 109.27598 135.18210 1.00000 None None box sum 2283 3004 1.64918 7.92992 27.22588 43LeuHg 43LeuH 43LeuCg 7.43501e+06 1.61694e+08 37.45019 60.47881 182.11244 1.00000 None None box sum 2284 3006 1.65199 7.03380 27.28047 43LeuHg 37TyrHd* 43LeuCg 2.29559e+06 3.96073e+07 29.86908 44.60315 130.04452 1.00000 None parabolic box sum 2285 3007 1.65487 6.83857 27.25787 43LeuHg 37TyrHe* 43LeuCg 2.66507e+06 4.69328e+07 33.45728 49.80233 132.22196 1.00000 None parabolic box sum 2286 3009 0.83409 4.50549 24.23286 43LeuHda* 43LeuHa 43LeuCda 4.01449e+07 5.87245e+08 22.24982 50.52300 124.30047 1.00000 None parabolic box sum 2287 3010 0.83366 7.02817 24.22903 43LeuHda* 37TyrHd* 43LeuCda 1.26827e+07 1.81590e+08 20.79725 51.46584 131.27107 1.00000 None parabolic box sum 2288 3011 0.83355 6.84192 24.23507 43LeuHda* 37TyrHe* 43LeuCda 2.09843e+07 2.98999e+08 21.48807 47.61722 127.90153 1.00000 None parabolic box sum 2289 3012 0.83070 4.23727 24.31115 43LeuHda* 40ThrHa 43LeuCda 3.35689e+06 4.55815e+07 22.26770 112.84190 107.87957 1.00000 None parabolic box sum 2290 3013 0.83126 4.35360 24.23801 43LeuHda* (52Leu/29Asp)Ha 43LeuCda 3.70666e+06 4.91950e+07 23.83113 107.87485 114.24657 1.00000 None parabolic box sum 2291 3014 0.83042 3.98637 24.15900 43LeuHda* 28LeuHa 43LeuCda 4.87115e+06 8.95325e+07 26.55268 144.60119 302.39413 1.00000 None parabolic box sum 2292 3015 0.83120 3.85699 24.13152 43LeuHda* 32AlaHa 43LeuCda 1.20639e+07 2.18008e+08 25.93398 60.20149 167.72360 1.00000 None parabolic box sum 2293 3016 0.83257 2.35260 24.20310 43LeuHda* 52LeuHbb 43LeuCda 3.08623e+06 4.61672e+07 23.00501 43.89761 142.35445 1.00000 None parabolic box sum 2294 3017 0.83203 1.80628 24.10798 43LeuHda* 43LeuHbb 43LeuCda 2.38904e+07 4.24275e+08 24.94633 51.28906 257.50113 1.00000 None parabolic box sum 2295 3018 0.83342 1.66264 24.23456 43LeuHda* 43LeuHg 43LeuCda 5.48180e+07 8.38003e+08 23.45324 54.52810 123.64034 1.00000 None parabolic box sum 2296 3020 0.83388 1.43758 24.21820 43LeuHda* 43LeuHba 43LeuCda 2.96852e+07 4.14300e+08 22.32254 47.40421 113.08198 1.00000 None parabolic box sum 2297 3021 0.90196 7.02791 26.04140 43LeuHdb* 37TyrHd* 43LeuCdb 9.47630e+06 1.47095e+08 22.47214 47.70621 136.12951 1.00000 None parabolic box sum 2298 3022 0.90329 8.32080 25.95419 43LeuHdb* 44AspH 43LeuCdb 3.14479e+06 7.17684e+07 55.27198 87.86161 281.32455 1.00000 None None box sum 2299 3023 0.89965 1.52021 26.04319 43LeuHdb* 32AlaHb* 43LeuCdb 4.18901e+07 7.10046e+08 30.31194 102.54866 144.30974 1.00000 None parabolic box sum 2300 3025 4.34807 2.32403 55.81164 52LeuHa 52LeuHbb 52LeuCa 1.85621e+07 3.83230e+08 41.28993 75.25355 148.54161 1.00000 None None box sum 2301 3027 0.75197 0.07207 25.16713 52LeuHda* 35LeuHda* 52LeuCda 2.26438e+06 2.17506e+07 22.05014 16.94930 246.89108 1.00000 None parabolic box sum 2302 3029 0.75308 7.51329 25.31500 52LeuHda* 47GluH 52LeuCda 2.10582e+06 2.89771e+07 22.16339 245.32766 114.63678 1.00000 None parabolic box sum 2303 3031 2.06660 3.43433 41.59960 26LeuHbb 27ValHa 26LeuCb 1.82552e+06 3.48353e+07 45.71259 53.79548 147.01205 1.00000 None parabolic box sum 2304 3034 0.92950 8.36771 23.50248 57LeuHda* 57LeuH 57LeuCda 7.73300e+06 1.25070e+08 24.84798 52.17527 192.67473 1.00000 None None box sum 2305 3035 4.16100 8.80552 57.14203 60LeuHa 64AspH 60LeuCa 4.71074e+06 1.05888e+08 47.76597 58.10179 172.94959 1.00000 None None box sum 2306 3037 4.15656 1.40611 57.19226 60LeuHa 59AlaHb* 60LeuCa 5.37179e+06 1.01184e+08 33.30290 271.81191 144.70629 1.00000 None parabolic box sum 2307 3038 1.91308 2.42542 41.35784 60LeuHbb 61GluHgb 60LeuCb 1.72229e+06 3.04913e+07 41.42463 47.78644 146.35222 1.00000 None parabolic box sum 2308 3040 1.92704 7.20199 26.81796 60LeuHg 60LeuH 60LeuCg 2.21485e+07 3.89057e+08 33.15568 48.04087 131.44305 1.00000 None parabolic box sum 2309 3041 1.93542 4.47988 26.88871 60LeuHg 57LeuHa 60LeuCg 4.12834e+06 7.72424e+07 68.26997 133.23012 145.98937 1.00000 None parabolic box sum 2310 3043 1.92997 1.01680 26.86143 60LeuHg 60LeuHda* 60LeuCg 3.13865e+07 6.20261e+08 48.82872 56.39428 130.71129 1.00000 None parabolic box sum 2311 3044 1.00845 1.91995 23.64393 60LeuHda* 60Leu(Hg/Hbb) 60LeuCda 1.02480e+08 1.60337e+09 22.02034 64.16199 130.50576 1.00000 None parabolic box sum 2312 3046 1.00956 7.20108 23.69470 60LeuHda* 60LeuH 60LeuCda 1.12500e+07 1.59356e+08 20.84017 51.36551 130.10950 1.00000 None parabolic box sum 2313 3047 1.01239 8.80401 23.65777 60LeuHda* 64AspH 60LeuCda 1.89904e+06 2.54671e+07 17.99107 59.00332 127.35566 1.00000 None parabolic box sum 2314 3049 1.00842 3.99872 23.70426 60LeuHda* 56SerHa 60LeuCda 2.23107e+07 3.32246e+08 20.26200 64.67004 127.92753 1.00000 None parabolic box sum 2315 3051 1.05849 9.06088 24.57244 60LeuHdb* 59AlaH 60LeuCdb 1.59826e+06 2.47017e+07 28.53751 53.11204 152.81972 1.00000 None parabolic box sum 2316 3052 1.06310 4.47379 24.57744 60LeuHdb* 57LeuHa 60LeuCdb 9.62427e+06 1.41027e+08 21.27111 54.63679 126.60033 1.00000 None parabolic box sum 2317 3055 1.06424 1.92803 24.55829 60LeuHdb* 60LeuHg 60LeuCdb 7.60842e+07 1.20491e+09 23.11528 56.51372 132.70194 1.00000 None parabolic box sum 2318 3056 4.06808 7.31523 57.80811 94GluHa 96IleH 94GluCa 4.91727e+06 8.19061e+07 26.14200 57.65625 142.23355 1.00000 None parabolic box sum 2319 3057 4.07038 7.46765 57.80118 94GluHa 95GlnH 94GluCa 1.00823e+07 1.61145e+08 27.41814 136.41003 137.41107 1.00000 None parabolic box sum 2320 3061 4.05986 1.01835 58.01038 62LeuHa 34ValHgb* 62LeuCa 5.10989e+06 8.39651e+07 59.45146 201.75276 129.05312 1.00000 None parabolic box sum 2321 3062 1.79667 7.37067 40.73657 62LeuHbb 54PheHd* 62LeuCb 2.24660e+06 4.08367e+07 36.70871 55.57406 119.28976 1.00000 None parabolic box sum 2322 3063 1.49293 4.17372 40.69819 62LeuHba {*}Ha 62LeuCb 2.15138e+06 4.04944e+07 45.64345 137.49601 358.94457 1.00000 None parabolic box sum 2323 3064 1.80984 4.17135 40.79265 62LeuHbb {*}H* 62LeuCb 1.88752e+06 4.41102e+07 135.85448 136.45482 349.60897 1.00000 None None box sum 2324 3065 1.80204 0.87690 40.79265 62LeuHbb 62LeuHdb* 62LeuCb 1.34849e+07 2.81109e+08 42.14108 101.66355 515.38673 1.00000 None None box sum 2325 3067 1.29021 4.08219 26.78197 62LeuHg 62LeuHa 62LeuCg 9.79060e+06 1.88233e+08 34.94322 61.42623 162.58587 1.00000 None parabolic box sum 2326 3068 1.29287 3.63999 26.95350 62LeuHg 63ArgHa 62LeuCg 2.48728e+06 4.60687e+07 129.35758 55.96068 138.43239 1.00000 None parabolic box sum 2327 3069 1.28125 7.21659 26.99629 62LeuHg 54PheHe* 62LeuCg 2.40254e+06 4.67637e+07 32.04107 126.48408 128.00339 1.00000 None parabolic box sum 2328 3070 1.28874 7.64146 26.98975 62LeuHg 63ArgH 62LeuCg 3.25901e+06 4.76977e+07 22.13776 53.35770 151.86490 1.00000 None parabolic box sum 2329 3075 1.28141 1.81056 26.98825 62LeuHg 62LeuHbb 62LeuCg 1.33456e+07 2.60348e+08 38.78176 65.31427 138.40338 1.00000 None parabolic box sum 2330 3076 1.27351 1.49178 27.03493 62LeuHg 62LeuHba 62LeuCg 1.26182e+07 2.39828e+08 100.32952 65.75025 151.42663 1.00000 None parabolic box sum 2331 3077 0.23881 0.67898 26.62705 62LeuHda* 79IleHg1b 62LeuCda 5.56569e+06 1.21842e+08 25.65980 200.63632 148.04893 1.00000 None None box sum 2332 3078 0.89334 7.35103 23.13190 62LeuHdb* 54PheHz 62LeuCdb 1.12077e+07 1.97834e+08 48.36857 57.48106 132.03819 1.00000 None parabolic box sum 2333 3079 0.89515 7.20255 23.13273 62LeuHdb* 54PheHe* 62LeuCdb 1.11593e+07 2.16085e+08 57.68597 63.37642 128.08712 1.00000 None None box sum 2334 3080 0.89069 3.19559 23.13706 62LeuHdb* 65HisHba 62LeuCdb 8.61515e+06 1.45616e+08 46.69547 70.12564 124.04144 1.00000 None parabolic box sum 2335 3082 4.13233 6.90237 57.68961 30GlnHa 30GlnHe2a 30GlnCa 3.66130e+06 6.59283e+07 32.85646 49.74340 153.47773 1.00000 None parabolic box sum 2336 3083 4.13335 7.18809 57.71401 30GlnHa 65HisHd2 30GlnCa 7.76935e+06 1.66426e+08 44.12770 48.59132 194.56171 1.00000 None None box sum 2337 3084 4.13074 3.62543 57.64041 30GlnHa 65HisHbb 30GlnCa 4.29496e+06 7.96862e+07 77.45445 48.23835 165.84962 1.00000 None parabolic box sum 2338 3085 4.13147 3.44222 57.62943 66LeuHa 27ValHa 66LeuCa 2.54989e+06 4.31296e+07 31.32880 43.90875 139.72332 1.00000 None parabolic box sum 2339 3087 4.13390 2.02748 57.67500 66LeuHa {*}(Hba/Hga/Hbb) 66LeuCa 4.22310e+07 8.84290e+08 64.81290 110.04722 148.50443 1.00000 None parabolic box sum 2340 3089 4.13177 1.53916 57.66836 66LeuHa 69AlaHb* 66LeuCa 3.06980e+07 5.71232e+08 65.47809 52.19567 134.45019 1.00000 None parabolic box sum 2341 3090 4.13110 0.77948 57.67329 66LeuHa 66LeuHda* 66LeuCa 6.48896e+07 1.17859e+09 34.06823 55.44705 137.78436 1.00000 None parabolic box sum 2342 3091 1.06821 8.89893 41.43509 66LeuHdb* 67GlnH 66LeuCb 4.01166e+06 6.58466e+07 30.27856 42.90599 134.06670 1.00000 None parabolic box sum 2343 3092 1.06439 8.77456 41.44580 66LeuHdb* 66LeuH 66LeuCb 9.20845e+06 1.71354e+08 40.16936 52.53620 129.07829 1.00000 None parabolic box sum 2344 3093 2.02437 8.89409 41.43157 66LeuHbb 67GlnH 66LeuCb 4.28670e+06 7.96031e+07 37.48238 137.39826 130.58132 1.00000 None parabolic box sum 2345 3095 2.02743 3.63984 41.37303 66LeuHbb 63ArgHa 66LeuCb 5.33830e+06 1.08167e+08 46.67997 58.87442 150.62905 1.00000 None parabolic box sum 2346 3096 1.06287 3.62343 41.39571 66LeuHdb* 63ArgHa 66LeuCb 5.12003e+06 1.25415e+08 40.05134 55.90454 221.24605 1.00000 None None box sum 2347 3097 1.06350 2.03034 41.35900 66LeuHdb* 66LeuHbb 66LeuCb 3.81922e+07 7.60222e+08 39.42132 63.64637 154.45379 1.00000 None parabolic box sum 2348 3101 0.89953 8.75739 26.01160 43LeuHdb* 32AlaH 43LeuCdb 1.17310e+07 1.65811e+08 21.17932 48.26772 127.79061 1.00000 None parabolic box sum 2349 3102 0.81613 8.77754 25.94584 74LeuHda* 66LeuH 74LeuCda 4.04515e+06 6.42326e+07 26.62957 121.16127 111.90228 1.00000 None parabolic box sum 2350 3104 0.84997 4.44913 22.74005 72LeuHda* 72LeuHa 72LeuCda 5.30385e+07 8.12832e+08 23.56410 55.76319 124.91495 1.00000 None parabolic box sum 2351 3108 0.84998 7.48195 22.77914 72LeuHda* 95GlnH 72LeuCda 3.38135e+06 5.26953e+07 24.65308 243.87457 122.47153 1.00000 None parabolic box sum 2352 3109 0.85051 4.32465 22.76929 72LeuHda* (96Ile/71Gly)Ha 72LeuCda 1.25169e+07 2.20404e+08 28.76341 148.73449 168.93746 1.00000 None parabolic box sum 2353 3111 0.84895 3.91798 22.89152 72LeuHda* (71Gly/97Pro)(Haa/Hdb) 72LeuCda 7.75323e+06 1.42603e+08 68.23540 411.90672 169.19407 1.00000 None parabolic box sum 2354 3113 0.85216 2.68082 22.74998 72LeuHda* 73AsnHba 72LeuCda 2.18037e+06 3.50567e+07 25.77305 98.64429 137.67524 1.00000 None parabolic box sum 2355 3114 0.85223 2.74797 22.80378 72LeuHda* 73AsnHbb 72LeuCda 2.28865e+06 3.76064e+07 25.34866 93.79470 158.68921 1.00000 None parabolic box sum 2356 3115 0.84996 2.25441 22.90764 34ValHga* 34ValHb 34ValCga 7.93520e+07 1.31885e+09 25.84755 67.68651 132.79625 1.00000 None parabolic box sum 2357 3117 0.85041 1.46218 22.78822 72LeuHda* 72LeuHg 72LeuCda 6.84992e+07 1.13728e+09 27.03249 85.32104 131.71145 1.00000 None parabolic box sum 2358 3118 0.85068 1.25326 22.79378 72LeuHda* 72LeuHba 72LeuCda 6.30242e+07 1.03520e+09 30.04909 58.33571 124.80070 1.00000 None parabolic box sum 2359 3120 0.80022 7.73648 25.97787 74LeuHda* 72LeuH 74LeuCda 1.06718e+07 2.01264e+08 32.38440 106.95779 140.51493 1.00000 None parabolic box sum 2360 3121 0.80194 8.55017 25.88971 74LeuHda* 73AsnH 74LeuCda 4.92541e+06 8.93485e+07 36.28433 54.71911 156.68616 1.00000 None parabolic box sum 2361 3122 0.79674 7.46790 25.94221 92LeuHda* 95GlnH 92LeuCda 4.10339e+06 6.70519e+07 25.75874 49.01855 148.58604 1.00000 None parabolic box sum 2362 3123 0.79459 7.31409 26.00157 11LeuHda* 12AlaH 11LeuCda 2.84650e+06 4.62044e+07 55.83286 48.29270 134.37251 1.00000 None parabolic box sum 2363 3126 0.79797 3.60510 25.98876 92LeuHda* 92LeuHa 92LeuCda 1.53304e+07 2.59174e+08 29.84524 59.34544 126.81160 1.00000 None parabolic box sum 2364 3127 0.81524 2.86453 25.94615 74LeuHda* 67GlnHgb 74LeuCda 1.01380e+07 1.65192e+08 28.55837 57.08907 128.48277 1.00000 None parabolic box sum 2365 3128 0.81452 2.62547 25.96685 74LeuHda* 67GlnHga 74LeuCda 1.12499e+07 1.81842e+08 25.09594 66.62700 126.64415 1.00000 None parabolic box sum 2366 3129 0.79805 2.26862 25.96523 74LeuHda* 95Gln(Hgb/Hba/Hbb) 74LeuCda 2.09576e+07 3.60563e+08 31.14045 54.04712 135.69245 1.00000 None parabolic box sum 2367 3130 0.81300 2.02569 25.90832 74LeuHda* 66LeuHbb 74LeuCda 2.21256e+07 4.17071e+08 71.92850 212.30163 130.74726 1.00000 None parabolic box sum 2368 3134 0.81250 1.52427 25.90759 74LeuHda* 74LeuHbb 74LeuCda 1.10338e+08 2.04956e+09 55.89306 72.71130 140.94564 1.00000 None parabolic box sum 2369 3136 4.02608 4.37972 59.80770 78LeuHa 77ThrHa 78LeuCa 1.84161e+06 3.30541e+07 31.78716 89.60167 182.98142 1.00000 None parabolic box sum 2370 3139 1.04571 4.03911 24.54419 78LeuHdb* 78LeuHa 78LeuCdb 4.40619e+07 7.27277e+08 26.44897 55.79385 131.04921 1.00000 None parabolic box sum 2371 3140 1.04287 3.68136 24.56265 78LeuHdb* 75SerHba 78LeuCdb 4.90584e+06 7.04487e+07 19.90974 72.86538 133.72236 1.00000 None parabolic box sum 2372 3141 1.04291 3.12007 24.54129 78LeuHdb* 82HisHbb 78LeuCdb 6.14314e+06 9.89131e+07 23.01037 121.31556 137.05834 1.00000 None parabolic box sum 2373 3142 1.04317 3.42161 24.57079 78LeuHdb* 88ValHa 78LeuCdb 6.86956e+06 8.99073e+07 20.76030 46.65288 127.54729 1.00000 None parabolic box sum 2374 3143 1.04195 2.12688 24.54341 78LeuHdb* 78LeuHbb 78LeuCdb 2.44394e+07 4.21879e+08 30.33340 69.64864 132.22771 1.00000 None parabolic box sum 2375 3144 1.04496 1.37941 24.55401 78LeuHdb* 74LeuHba 78LeuCdb 5.71347e+07 7.65663e+08 20.76983 47.58975 133.15502 1.00000 None parabolic box sum 2376 3145 1.04397 0.81857 24.55071 78LeuHdb* 78LeuHda* 78LeuCdb 8.55312e+07 1.08802e+09 17.89749 43.91951 131.72475 1.00000 None parabolic box sum 2377 3147 3.59291 3.83226 57.89106 92LeuHa 89AlaHa 92LeuCa 2.09845e+06 3.18270e+07 26.77023 36.82189 136.16064 1.00000 None parabolic box sum 2378 3148 1.96656 3.59928 40.82178 92LeuHbb 92LeuHa 92LeuCb 1.09332e+07 2.07127e+08 39.84392 52.70771 137.92581 1.00000 None parabolic box sum 2379 3150 1.96662 3.80510 40.81770 92LeuHbb 89AlaHa 92LeuCb 6.56247e+06 1.28714e+08 41.23986 64.43871 138.07029 1.00000 None parabolic box sum 2380 3151 1.06893 3.80022 40.84369 92LeuHdb* 89AlaHa 92LeuCb 4.46676e+06 8.65737e+07 41.91518 61.44654 132.21894 1.00000 None parabolic box sum 2381 3154 1.06607 8.44107 40.82606 92LeuHdb* 92LeuH 92LeuCb 9.41252e+06 1.66181e+08 35.53569 49.24242 132.38186 1.00000 None parabolic box sum 2382 3155 1.96555 8.44291 40.82224 92LeuHbb 92LeuH 92LeuCb 1.23958e+07 2.32621e+08 39.32059 47.59692 144.52532 1.00000 None parabolic box sum 2383 3157 1.06847 1.97681 40.86099 92LeuHdb* 92LeuHbb 92LeuCb 4.36824e+07 8.78031e+08 39.86657 71.15728 145.56802 1.00000 None parabolic box sum 2384 3160 1.96249 1.06827 40.90661 92LeuHbb 92LeuHdb* 92LeuCb 4.66121e+07 9.62049e+08 62.34288 59.07230 148.16991 1.00000 None parabolic box sum 2385 3162 1.96843 0.75489 40.84698 92LeuHbb 92LeuHda* 92LeuCb 2.89068e+07 5.94254e+08 59.16834 66.25671 155.84416 1.00000 None parabolic box sum 2386 3163 0.73176 3.59538 25.95729 92LeuHda* 92LeuHa 92LeuCda 1.31677e+07 2.05430e+08 24.84441 52.94421 137.68099 1.00000 None parabolic box sum 2387 3164 0.73548 3.80487 25.95280 92LeuHda* 89AlaHa 92LeuCda 2.63716e+07 4.70956e+08 33.99491 71.75332 130.25459 1.00000 None parabolic box sum 2388 3165 0.73071 3.01552 25.87025 92LeuHda* 91HisHbb 92LeuCda 2.15365e+06 3.93521e+07 77.11649 55.13927 128.35068 1.00000 None parabolic box sum 2389 3166 0.73149 2.14693 25.93718 92LeuHda* (91His/92Leu)(Hba/Hg) 92LeuCda 8.46518e+07 1.33133e+09 23.37039 64.84922 118.05316 1.00000 None parabolic box sum 2390 3167 0.73295 1.07898 25.95138 92LeuHda* 92LeuHdb* 92LeuCda 7.51823e+07 1.22524e+09 27.27568 47.80595 160.67834 1.00000 None parabolic box sum 2391 3168 3.89071 2.26991 57.53111 93LeuHa 95GlnHbb 93LeuCa 1.76880e+06 3.13991e+07 28.61142 64.96707 142.17219 1.00000 None parabolic box sum 2392 3170 3.89231 1.93023 57.43677 93LeuHa 96IleHb 93LeuCa 1.05701e+07 2.04512e+08 30.17128 135.58603 135.55916 1.00000 None None box sum 2393 3171 1.82939 1.49247 41.09265 93LeuHbb 93LeuHba 93LeuCb 7.10381e+07 1.43983e+09 39.08575 56.24337 186.43128 1.00000 None parabolic box sum 2394 3172 1.83227 0.80999 41.16665 93LeuHbb 93LeuHda* 93LeuCb 3.74786e+07 7.40049e+08 38.95104 54.11162 162.36069 1.00000 None parabolic box sum 2395 3174 1.81259 0.79621 26.80752 93LeuHg 93LeuHda* 93LeuCg 7.84558e+07 1.63500e+09 57.28602 59.68547 147.54386 1.00000 None None box sum 2396 3175 1.81259 1.09503 26.80752 93LeuHg 93LeuHdb* 93LeuCg 8.28566e+06 1.71449e+08 83.22001 85.97283 134.06179 1.00000 None None box sum 2397 3176 1.81259 1.49808 26.80752 93LeuHg 93LeuHba 93LeuCg 1.62890e+07 3.42856e+08 36.40890 134.08139 151.62793 1.00000 None None box sum 2398 3177 0.79767 9.17072 23.38119 93LeuHda* 19GlnH 66LeuCda 2.60281e+06 4.08309e+07 22.08292 35.78444 181.69110 1.00000 None parabolic box sum 2399 3179 0.79390 2.47756 23.45481 93LeuHda* (94Glu/19Gln)(Hgb/Hbb) 93LeuCda 8.30642e+06 1.52749e+08 24.94156 64.92845 140.68207 1.00000 None parabolic box sum 2400 3180 0.78745 1.82050 23.41028 28LeuHda* 28LeuHg 28LeuCda 1.53842e+08 2.60111e+09 25.55788 69.86843 128.44680 1.00000 None parabolic box sum 2401 3181 0.78293 1.56202 23.36692 28LeuHda* 28LeuHba 28LeuCda 6.41954e+07 1.14466e+09 26.15213 152.75432 140.20995 1.00000 None parabolic box sum 2402 3184 0.79326 1.23186 23.46381 93LeuHda* 96IleHg1a 93LeuCda 4.07178e+07 7.37417e+08 28.08154 80.37111 135.23030 1.00000 None parabolic box sum 2403 3185 2.03312 2.49557 31.85450 85ProHba 85ProHda 85ProCb 3.53495e+06 6.72849e+07 37.39238 56.99311 131.04332 1.00000 None parabolic box sum 2404 3186 1.08547 7.80685 23.13766 27ValHga* 26LeuH 27ValCga 7.38034e+06 1.08750e+08 23.27085 128.08907 131.41827 1.00000 None parabolic box sum 2405 3187 1.08584 4.34674 23.02186 22ValHgb* 11LeuHa 22ValCgb 6.74104e+06 1.08789e+08 85.20126 55.38056 135.13993 1.00000 None parabolic box sum 2406 3190 1.08891 3.81941 22.94303 22ValHgb* 23ThrHb 22ValCgb 2.27407e+07 4.51719e+08 24.91951 143.01531 157.79816 1.00000 None None box sum 2407 3191 1.08260 2.28448 23.18317 27ValHga* 27ValHb 27ValCga 5.51631e+07 9.37230e+08 25.37072 64.35072 128.99509 1.00000 None parabolic box sum 2408 3192 1.08748 2.03772 22.93822 22ValHgb* 22ValHb 22ValCgb 8.31752e+07 1.37754e+09 23.54801 61.87456 139.55890 1.00000 None parabolic box sum 2409 3193 1.08702 1.89777 22.89876 22ValHgb* {*}Hb* 22ValCgb 1.26700e+07 2.32987e+08 24.44685 174.87573 207.80682 1.00000 None parabolic box sum 2410 3194 1.07974 1.78054 23.07111 52LeuHdb* 43LeuHbb 52LeuCdb 9.31326e+06 1.60592e+08 25.12634 541.36506 170.07847 1.00000 None parabolic box sum 2411 3196 1.08710 1.59700 22.95659 22ValHgb* (10Lys/21Ala)(Hgb/Hb*) 22ValCgb 2.72761e+07 4.04382e+08 23.44966 43.12916 137.85176 1.00000 None parabolic box sum 2412 3199 1.08355 0.76194 23.14149 52LeuHdb* 52LeuHda* 52LeuCdb 1.15829e+08 1.95175e+09 26.24452 143.10968 131.11904 1.00000 None parabolic box sum 2413 3200 1.08788 0.87027 22.94153 22ValHgb* 22ValHga* 22ValCgb 1.97865e+08 3.14337e+09 24.12558 55.33636 144.52887 1.00000 None parabolic box sum 2414 3201 1.07898 0.21127 23.07544 52LeuHdb* 62LeuHda* 52LeuCdb 2.09626e+06 2.26580e+07 25.62761 23.29160 119.26158 1.00000 None parabolic box sum 2415 3202 1.08055 0.02017 23.14373 52LeuHdb* 79IleHd1* 52LeuCdb 1.70089e+06 1.88769e+07 20.64049 26.28537 144.15015 1.00000 None parabolic box sum 2416 3203 0.86589 1.92711 21.16681 22ValHga* 14LeuHg 22ValCga 2.01588e+07 3.52963e+08 22.90368 146.01227 386.64584 1.00000 None None box sum 2417 3204 3.43911 8.39090 67.33134 27ValHa 28LeuH 27ValCa 5.35463e+06 9.84241e+07 28.34678 104.29469 143.38589 1.00000 None None box sum 2418 3205 3.43190 9.30583 67.36453 27ValHa 29AspH 27ValCa 1.53431e+06 2.57690e+07 31.09217 43.44729 115.99738 1.00000 None parabolic box sum 2419 3206 3.43365 4.34390 67.40447 27ValHa 26LeuHa 27ValCa 1.70736e+06 2.64747e+07 25.54297 49.55547 132.46860 1.00000 None parabolic box sum 2420 3208 2.27649 7.97420 31.61292 27ValHb 27ValH 27ValCb 2.87420e+07 5.65953e+08 42.31691 63.37602 134.69501 1.00000 None None box sum 2421 3210 2.27457 3.44498 31.61292 27ValHb 27ValHa 27ValCb 1.06347e+07 2.11696e+08 60.41646 52.04039 150.46334 1.00000 None None box sum 2422 3211 2.26898 1.40178 31.54340 34ValHb 35LeuHbb 34ValCb 9.32494e+06 1.90468e+08 66.54620 111.11150 133.59752 1.00000 None parabolic box sum 2423 3212 2.27968 1.12159 31.53730 27ValHb 27ValHga* 27ValCb 4.67278e+07 9.70859e+08 51.07820 96.47790 133.62322 1.00000 None parabolic box sum 2424 3213 1.15290 3.77443 21.06349 27ValHgb* (89Ala/85Pro)(Ha/Hdb) 27ValCgb 5.85449e+06 9.68885e+07 23.89550 96.58381 125.97768 1.00000 None parabolic box sum 2425 3214 1.15292 2.29308 21.05743 27ValHgb* 27ValHb 27ValCgb 6.06980e+07 1.00461e+09 24.97613 64.32285 127.17763 1.00000 None parabolic box sum 2426 3215 1.15300 2.03473 21.05786 27ValHgb* {*}Hb* 27ValCgb 2.72919e+07 4.53068e+08 25.11024 71.88193 128.18595 1.00000 None parabolic box sum 2427 3216 1.15136 1.82824 21.07951 27ValHgb* (28Leu/66Leu)Hg 27ValCgb 5.46894e+06 8.92756e+07 27.94325 144.17237 130.96005 1.00000 None parabolic box sum 2428 3217 1.15520 1.67554 21.03416 27ValHgb* 31AlaHb* 27ValCgb 1.16270e+07 1.79878e+08 23.42761 61.97728 122.62719 1.00000 None parabolic box sum 2429 3218 1.15456 0.76062 21.04826 27ValHgb* {*}Hda* 27ValCgb 3.78673e+07 6.24718e+08 24.14763 69.48819 126.94157 1.00000 None parabolic box sum 2430 3219 1.15303 0.91308 21.06178 27ValHgb* 88ValHga* 27ValCgb 4.73369e+07 6.79829e+08 24.93083 44.90057 128.63903 1.00000 None parabolic box sum 2431 3220 1.14760 -0.01148 21.17978 27ValHgb* 79IleHd1* 27ValCgb 1.84762e+06 2.45501e+07 26.46208 28.26702 140.86917 1.00000 None parabolic box sum 2432 3221 3.70996 1.00959 65.73662 34ValHa 34ValHgb* 34ValCa 3.78757e+07 6.74066e+08 27.95398 97.19021 139.28339 1.00000 None parabolic box sum 2433 3222 2.24961 4.07486 31.58016 27ValHb (23Thr/85Pro)Ha 27ValCb 7.03857e+06 1.54537e+08 84.29825 164.43715 136.38250 1.00000 None parabolic box sum 2434 3223 2.25885 1.68183 31.51619 34ValHb 31AlaHb* 34ValCb 4.55785e+06 8.63097e+07 38.14757 450.82771 135.14567 1.00000 None parabolic box sum 2435 3224 1.00267 4.13727 22.35411 34ValHgb* 58ThrHa 34ValCgb 4.52197e+07 7.50507e+08 26.41618 60.92256 119.05665 1.00000 None parabolic box sum 2436 3225 1.00197 3.71220 22.37444 34ValHgb* 34ValHa 34ValCgb 3.37707e+07 5.46920e+08 25.65801 49.83697 125.31212 1.00000 None parabolic box sum 2437 3226 1.00160 2.23829 22.37296 34ValHgb* 34ValHb 34ValCgb 4.48712e+07 7.81647e+08 25.76590 79.55608 124.55467 1.00000 None parabolic box sum 2438 3227 1.00384 2.07021 22.60318 34ValHgb* 61GluHba 34ValCgb 1.75808e+07 3.32589e+08 25.86365 189.42452 246.80615 1.00000 None parabolic box sum 2439 3229 1.00519 1.25041 22.38423 34ValHgb* None 34ValCgb 4.51504e+07 6.43114e+08 25.83444 37.03849 141.05475 1.00000 None parabolic box sum 2440 3230 1.00175 0.86626 22.61855 34ValHgb* 34ValHga* 34ValCgb 9.11503e+07 1.82600e+09 34.43539 159.20572 194.34318 1.00000 None parabolic box sum 2441 3231 0.85086 7.65913 22.98997 34ValHga* 35LeuH 34ValCga 1.81003e+07 3.13071e+08 52.45090 66.89915 132.85851 1.00000 None parabolic box sum 2442 3232 0.85085 7.19244 22.97367 34ValHga* 65HisHd2 34ValCga 2.64605e+07 4.29996e+08 29.09303 55.20318 127.89367 1.00000 None parabolic box sum 2443 3233 0.85319 4.06472 23.00971 34ValHga* {*}(Hba/Ha/Ha) 34ValCga 5.03366e+07 8.98838e+08 54.95191 108.23837 131.11813 1.00000 None parabolic box sum 2444 3234 0.84955 3.71177 22.96615 34ValHga* 34ValHa 34ValCga 5.96657e+07 9.40317e+08 25.32005 51.94802 127.80844 1.00000 None parabolic box sum 2445 3235 0.85156 2.42675 23.04730 34ValHga* 61GluHgb 34ValCga 5.63809e+06 9.94142e+07 34.92892 51.51163 317.55009 1.00000 None parabolic box sum 2446 3236 0.84887 0.99641 22.93744 34ValHga* 34ValHgb* 34ValCga 1.26425e+08 1.28123e+09 22.99607 27.04426 134.72221 1.00000 None parabolic box sum 2447 3237 0.85499 3.21010 23.00625 34ValHga* 65HisHba 34ValCga 6.49509e+06 1.15493e+08 53.37894 52.15387 128.66412 1.00000 None parabolic box sum 2448 3238 0.85307 8.18016 22.96280 34ValHga* 65HisHe1 34ValCga 4.82618e+06 8.48242e+07 30.32207 54.12038 135.92337 1.00000 None parabolic box sum 2449 3240 1.32365 6.91565 26.02519 88ValHgb* 49PheHd* 88ValCgb 9.30764e+06 1.75629e+08 26.77917 136.53824 133.77948 1.00000 None None box sum 2450 3241 1.32622 0.25323 25.79225 88ValHgb* 62LeuHda* 88ValCgb 3.02754e+06 3.36548e+07 21.80278 44.83846 339.41037 1.00000 None parabolic box sum 2451 3242 0.89768 2.11842 23.11645 62LeuHdb* 30GlnHbb 62LeuCdb 4.13770e+07 7.70206e+08 33.42271 255.50803 124.20163 1.00000 None parabolic box sum 2452 3244 6.83736 7.63966 118.38695 37TyrHe* 35LeuH 37TyrCe* 2.94466e+06 3.34241e+07 23.90951 24.50201 145.65568 1.00000 None parabolic box sum 2453 3246 7.02767 6.84367 131.40040 37TyrHd* 37TyrHe* 37TyrCd* 1.78274e+08 2.88125e+09 23.28157 53.15763 150.99017 1.00000 None parabolic box sum 2454 3247 7.01856 7.34878 130.81226 49PheHe* 54PheHz 49PheCe* 2.79552e+06 4.23929e+07 29.23101 30.46247 217.48532 1.00000 None parabolic box sum 2455 3248 7.02679 7.63917 131.38418 37TyrHd* 35LeuH 37TyrCd* 2.34850e+06 2.81833e+07 23.44936 26.09764 149.15911 1.00000 None parabolic box sum 2456 3249 7.02911 4.75246 131.40701 37TyrHd* 37TyrHa 37TyrCd* 3.94962e+06 6.25462e+07 24.12856 49.42288 141.64022 1.00000 None parabolic box sum 2457 3251 7.11312 7.59681 131.20848 80PheHd* 80PheH 80PheCd* 3.19004e+06 4.60736e+07 22.99309 37.61125 137.74748 1.00000 None parabolic box sum 2458 3252 6.18420 1.34771 124.93804 91HisHd2 88ValHgb* 91HisCd2 1.94748e+06 3.39215e+07 28.97352 78.81151 153.82774 1.00000 None parabolic box sum 2459 3254 6.98123 7.30622 119.55416 46HisHd2 86HisHe1 46HisCd2 2.86155e+06 2.91887e+07 21.04431 24.56731 141.67800 1.00000 None parabolic box sum 2460 3258 6.83984 8.20406 118.40482 37TyrHe* 37TyrH 37TyrCe* 2.23956e+06 3.54241e+07 23.17637 82.60021 147.12736 1.00000 None parabolic box sum 2461 3259 8.18671 2.07067 137.45854 65HisHe1 61GluHba 65HisCe1 1.25424e+06 1.64405e+07 17.85070 127.02439 130.20955 1.00000 None parabolic box sum 2462 3260 7.63239 2.36965 138.19845 82HisHe1 82HisHba 82HisCe1 8.02343e+05 1.34422e+07 34.80017 59.11172 113.24097 1.00000 None parabolic box sum 2463 3261 7.62285 2.06400 138.13960 82HisHe1 81AspHba 82HisCe1 1.00724e+06 1.66963e+07 25.93219 155.96947 124.31362 1.00000 None parabolic box sum 2464 3262 7.62938 1.74482 138.37726 82HisHe1 87AlaHb* 82HisCe1 7.67969e+05 1.18962e+07 24.30558 43.33142 129.59204 1.00000 None parabolic box sum 2465 3263 7.66525 4.21104 138.37140 82HisHe1 91HisHa 82HisCe1 8.37274e+05 1.18974e+07 36.91822 50.23513 116.01143 1.00000 None parabolic box sum 2466 3266 2.27029 7.60558 32.83531 95GlnHgb 94GluH 95GlnCg 2.24985e+06 3.25626e+07 28.12684 140.47584 111.28628 1.00000 None parabolic box sum 2467 3269 2.26302 6.18810 33.10261 95GlnHgb 91HisHd2 95GlnCg 1.16836e+06 2.12762e+07 38.46407 40.17978 137.20630 1.00000 None parabolic box sum 2468 3270 1.96794 6.19345 32.87558 95GlnHga 91HisHd2 95GlnCg 1.37899e+06 2.19600e+07 27.27568 46.15040 130.58752 1.00000 None parabolic box sum 2469 3271 1.33324 6.18544 26.06022 88ValHgb* 91HisHd2 88ValCgb 1.50169e+06 2.43867e+07 30.96104 44.35788 121.29878 1.00000 None parabolic box sum 2470 3272 2.13865 6.18873 25.99127 92LeuHg 91HisHd2 92LeuCg 1.43453e+06 2.51481e+07 34.04856 47.74463 133.03684 1.00000 None parabolic box sum 2471 3273 2.46708 6.62614 36.37210 94GluHgb 95GlnHe2b 94GluCg 1.31417e+06 2.26424e+07 29.73318 44.71045 133.46891 1.00000 None parabolic box sum 2472 3274 2.31538 6.62392 36.35568 94GluHga 95GlnHe2b 94GluCg 1.44968e+06 2.31266e+07 28.15306 50.20567 131.76390 1.00000 None parabolic box sum 2473 3275 2.47511 6.41000 36.31829 94GluHgb 95GlnHe2a 94GluCg 8.64540e+05 1.41219e+07 26.67487 51.52019 160.64268 1.00000 None parabolic box sum 2474 3276 2.32563 6.41126 36.32584 94GluHga 95GlnHe2a 94GluCg 9.26605e+05 1.39627e+07 29.96564 41.53014 118.50745 1.00000 None parabolic box sum 2475 3277 3.67020 5.09903 50.45430 83ProHdb 83ProHa 83ProCd 1.42142e+06 2.09667e+07 24.91713 141.88275 130.41357 1.00000 None parabolic box sum 2476 3278 3.42691 5.10260 50.44004 83ProHda 83ProHa 83ProCd 1.48000e+06 2.58815e+07 31.28111 143.10510 143.44559 1.00000 None parabolic box sum 2477 3279 4.04347 6.19465 59.78519 78LeuHa 91HisHd2 78LeuCa 1.14410e+06 1.81550e+07 24.07670 46.35147 123.73767 1.00000 None parabolic box sum 2478 3282 2.26851 6.42212 30.10701 95GlnHbb 95GlnHe2a 95GlnCb 1.12207e+06 1.77661e+07 25.86424 49.34703 120.42979 1.00000 None parabolic box sum 2479 3283 2.10934 6.41150 29.55115 94GluHba 95GlnHe2a 94GluCb 2.42014e+06 4.60750e+07 60.61137 44.19264 129.93541 1.00000 None parabolic box sum 2480 3284 2.08209 6.40898 29.57446 94GluHba 95GlnHe2a 94GluCb 2.80729e+06 5.31991e+07 56.49984 44.92287 136.31872 1.00000 None parabolic box sum 2481 3286 2.26530 6.62452 29.95262 95GlnHbb 95GlnHe2b 95GlnCb 3.64728e+06 6.51794e+07 36.95905 45.64394 124.87294 1.00000 None parabolic box sum 2482 3288 2.08526 6.62379 29.55354 94GluHba 95GlnHe2b 94GluCb 5.30600e+06 1.06416e+08 61.16629 45.90991 129.71748 1.00000 None parabolic box sum 2483 3291 1.67980 2.65890 17.34870 31AlaHb* 49PheHba 31AlaCb 1.21953e+06 1.38600e+07 18.54181 31.69279 131.08186 1.00000 None parabolic box sum 2484 3292 1.67749 2.75240 17.39790 31AlaHb* 49PheHbb 31AlaCb 1.18034e+06 1.53035e+07 20.88428 89.53876 126.92525 1.00000 None parabolic box sum 2485 3293 1.68242 2.83582 17.28726 31AlaHb* 30GlnHgb 31AlaCb 1.44029e+06 2.04001e+07 23.67377 39.91640 134.08204 1.00000 None parabolic box sum 2486 3294 1.67782 2.94613 17.23092 31AlaHb* 37TyrHba 31AlaCb 1.01299e+06 1.33540e+07 21.10302 78.50692 154.75566 1.00000 None parabolic box sum 2487 3296 1.67659 2.37475 17.30758 31AlaHb* 52LeuHbb 31AlaCb 1.99760e+06 2.17139e+07 22.00603 31.59205 126.42865 1.00000 None parabolic box sum 2488 3299 1.68008 8.39170 17.30272 31AlaHb* 28LeuH 31AlaCb 2.57941e+06 4.35903e+07 25.60794 114.92906 131.95114 1.00000 None None box sum 2489 3300 4.38515 7.33172 70.67959 84ThrHb 84ThrH 84ThrCb 3.04439e+06 4.82462e+07 28.13458 43.03798 122.94501 1.00000 None parabolic box sum 2490 3301 4.38340 7.52764 70.55344 84ThrHb 47GluH 84ThrCb 1.73235e+06 2.94010e+07 33.76663 48.72272 136.03748 1.00000 None parabolic box sum 2491 3303 4.39244 7.02452 70.80581 84ThrHb 49PheHe* 84ThrCb 1.26834e+06 2.10376e+07 30.49731 132.71490 169.10748 1.00000 None parabolic box sum 2492 3304 4.38296 4.62198 70.65341 84ThrHb (48Ser/46His)Ha 84ThrCb 6.10262e+06 9.80772e+07 28.86057 45.06979 128.10465 1.00000 None parabolic box sum 2493 3305 4.38422 4.07408 70.60078 84ThrHb 45ThrHb 84ThrCb 1.93122e+06 3.29621e+07 36.21221 46.55374 126.32074 1.00000 None parabolic box sum 2494 3306 4.38519 3.79616 70.64431 84ThrHb 85ProHdb 84ThrCb 1.45344e+07 2.56611e+08 31.35443 56.53921 130.78746 1.00000 None parabolic box sum 2495 3307 4.38407 2.88792 70.61266 84ThrHb 86HisHbb 84ThrCb 2.31136e+06 4.04376e+07 30.60997 67.19359 128.98708 1.00000 None parabolic box sum 2496 3308 4.38429 2.70276 70.57051 84ThrHb 86HisHba 84ThrCb 1.52550e+06 2.84997e+07 37.18734 60.13977 124.05247 1.00000 None parabolic box sum 2497 3309 4.38474 2.50407 70.64501 84ThrHb 85ProHda 84ThrCb 1.02800e+07 1.80392e+08 30.32446 57.05761 130.24159 1.00000 None parabolic box sum 2498 3310 4.38509 1.99646 70.64634 84ThrHb 85ProHba 84ThrCb 4.48118e+06 8.75907e+07 35.26032 94.36725 135.69774 1.00000 None parabolic box sum 2499 3311 4.39197 1.72648 70.55922 84ThrHb 87AlaHb* 84ThrCb 2.86340e+06 5.37623e+07 30.37751 104.78194 175.70162 1.00000 None parabolic box sum 2500 3312 4.38524 1.00282 70.63945 84ThrHb 84ThrHg2* 84ThrCb 3.60558e+07 6.24788e+08 31.82352 48.57560 131.70617 1.00000 None parabolic box sum 2501 3313 4.38774 0.76761 70.55755 84ThrHb (28Leu/52Leu)Hda* 84ThrCb 2.49171e+06 4.68291e+07 37.56404 45.14544 180.26415 1.00000 None parabolic box sum 2502 3314 4.45344 4.62091 57.58544 84ThrHa 48SerHa 84ThrCa 5.51282e+06 5.89355e+07 30.62069 27.87284 136.45655 1.00000 None parabolic box sum 2503 3315 4.44914 7.33074 57.71781 84ThrHa 84ThrH 84ThrCa 7.67120e+06 1.30478e+08 31.27396 47.38609 135.24391 1.00000 None parabolic box sum 2504 3316 4.44979 7.02905 57.73228 84ThrHa 49PheHe* 84ThrCa 3.18101e+06 6.21742e+07 67.30318 127.32241 148.60417 1.00000 None parabolic box sum 2505 3317 4.44779 6.91001 57.77362 84ThrHa 49PheHd* 84ThrCa 3.69527e+06 6.95133e+07 71.53749 121.78579 136.09385 1.00000 None parabolic box sum 2506 3319 4.44608 8.57193 57.72045 84ThrHa 88ValH 84ThrCa 2.62865e+06 4.34261e+07 29.40953 49.96229 123.60226 1.00000 None parabolic box sum 2507 3320 4.44596 3.79464 57.83884 84ThrHa 85ProHdb 84ThrCa 1.21751e+07 2.38954e+08 32.24730 58.92777 203.11431 1.00000 None parabolic box sum 2508 3321 4.44807 2.50277 57.72102 84ThrHa 85ProHda 84ThrCa 1.85082e+07 3.37754e+08 33.60033 58.65782 137.85569 1.00000 None parabolic box sum 2509 3322 4.44600 1.31203 57.67501 84ThrHa 88ValHgb* 84ThrCa 4.75654e+06 8.72943e+07 37.12595 57.54297 148.25053 1.00000 None parabolic box sum 2510 3323 4.44911 1.00151 57.77673 84ThrHa 84ThrHg2* 84ThrCa 2.44328e+07 4.77140e+08 40.35830 76.68613 129.05161 1.00000 None None box sum 2511 3325 0.99496 3.43870 21.27243 84ThrHg2* 83ProHda 84ThrCg2 1.73111e+06 2.37831e+07 20.83540 59.44020 123.77787 1.00000 None parabolic box sum 2512 3330 3.85209 7.36944 59.13817 19GlnHa 14LeuH 19GlnCa 7.61844e+05 1.25802e+07 35.04515 43.81738 284.48372 1.00000 None parabolic box sum 2513 3331 2.25307 7.37416 34.98590 19GlnHga 14LeuH 19GlnCg 1.31929e+06 2.24523e+07 39.37960 38.61481 119.98170 1.00000 None parabolic box sum 2514 3332 2.25153 7.59122 34.98912 19GlnHga 18GluH 19GlnCg 1.30101e+06 2.23925e+07 26.80242 48.15315 152.40306 1.00000 None parabolic box sum 2515 3333 2.87006 7.70393 35.09941 19GlnHgb 21AlaH 19GlnCg 8.28446e+05 1.41372e+07 22.60685 119.58814 163.87152 1.00000 None parabolic box sum 2516 3334 2.86197 8.76031 35.55803 67GlnHgb 66LeuH 67GlnCg 1.05235e+06 1.83764e+07 38.18810 142.04380 155.80766 1.00000 None parabolic box sum 2517 3335 6.91182 6.58501 132.01327 49PheHd* 49PheHz 49PheCd* 1.26901e+06 2.00136e+07 26.83222 47.13943 280.28994 1.00000 None parabolic box sum 2518 3338 6.91977 8.82180 131.97776 49PheHd* 50LysH 49PheCd* 9.07285e+05 1.51652e+07 28.91779 43.81320 152.70637 1.00000 None parabolic box sum 2519 3339 6.91504 4.44439 132.01353 49PheHd* 84ThrHa 49PheCd* 1.26196e+06 2.16850e+07 27.29267 50.89608 150.23363 1.00000 None parabolic box sum 2520 3340 6.91473 2.00369 132.01327 49PheHd* 50LysHbb 49PheCd* 1.04452e+06 1.80240e+07 25.42406 60.97989 192.33319 1.00000 None parabolic box sum 2521 3341 6.91096 1.00937 131.82503 49PheHd* 84ThrHg2* 49PheCd* 1.13710e+06 2.03326e+07 29.70159 45.98835 173.74875 1.00000 None parabolic box sum 2522 3342 6.91527 0.63036 131.91746 49PheHd* 35LeuHdb* 49PheCd* 1.15672e+06 1.92524e+07 26.90732 144.67962 164.82468 1.00000 None parabolic box sum 2523 3343 7.40062 7.76992 131.65852 54PheHd* 53GlyH 54PheCd* 1.27744e+06 1.94352e+07 25.85143 46.54408 131.05193 1.00000 None parabolic box sum 2524 3345 7.40155 8.48375 131.51766 54PheHd* 62LeuH 54PheCd* 1.17999e+06 1.80006e+07 22.30585 42.49389 191.08276 1.00000 None parabolic box sum 2525 3346 7.21870 0.00656 131.48958 54PheHe* 79IleHd1* 54PheCe* 1.60127e+06 3.12200e+07 52.50216 111.81823 140.45024 1.00000 None None box sum 2526 3348 6.91677 0.10808 131.76126 49PheHd* 35LeuHda* 49PheCd* 8.81126e+05 1.45952e+07 28.70560 207.37559 124.68071 1.00000 None parabolic box sum 2527 3349 7.21631 9.07296 131.40363 54PheHe* 59AlaH 54PheCe* 9.03503e+05 1.33127e+07 21.71457 44.28153 192.41117 1.00000 None parabolic box sum 2528 3350 7.21426 2.33034 131.44295 54PheHe* 52LeuHbb 54PheCe* 3.00858e+06 5.59183e+07 26.86083 104.06883 156.75750 1.00000 None None box sum 2529 3351 7.21911 -0.14415 131.44295 54PheHe* 79IleHg2* 54PheCe* 1.18161e+06 2.12791e+07 45.27509 38.89432 152.61116 1.00000 None None box sum 2530 3353 7.34943 3.86498 128.99167 54PheHz 32AlaHa 54PheCz 8.16138e+05 1.47739e+07 23.00352 46.21809 184.55496 1.00000 None parabolic box sum 2531 3354 7.35493 1.16335 129.12891 54PheHz 35LeuHba 54PheCz 9.23923e+05 1.56603e+07 27.37910 263.67510 131.91820 1.00000 None parabolic box sum 2532 3356 7.26041 7.59846 131.09213 80PheHe* 80PheH 80PheCe* 1.40908e+06 1.08962e+07 14.82219 29.17502 123.16550 1.00000 None parabolic box sum 2533 3357 7.26220 7.02586 131.15701 80PheHe* 80PheHz 80PheCe* 7.05857e+07 1.27038e+09 24.61970 219.99609 134.85702 1.00000 None None box sum 2534 3358 7.25712 4.03947 131.21383 80PheHe* 48SerHba 80PheCe* 1.17418e+06 2.11196e+07 48.76733 350.51911 128.00400 1.00000 None parabolic box sum 2535 3359 7.25793 0.11557 131.15701 80PheHe* 79IleHg1a 80PheCe* 2.01929e+06 3.99240e+07 54.52901 115.77077 169.77833 1.00000 None None box sum 2536 3360 7.11580 8.02817 131.23275 80PheHd* 81AspH 80PheCd* 1.35687e+06 2.02162e+07 21.51787 42.40958 134.02068 1.00000 None parabolic box sum 2537 3361 7.11194 4.80595 131.21554 80PheHd* 77ThrHb 80PheCd* 1.03876e+06 1.47153e+07 21.95776 46.65925 153.37436 1.00000 None parabolic box sum 2538 3363 7.11721 0.64522 131.21735 80PheHd* 79IleHg1b 80PheCd* 1.02225e+06 1.76724e+07 35.86590 58.15932 110.80449 1.00000 None parabolic box sum 2539 3367 7.01888 3.10554 130.66562 49PheHe* 82HisHbb 49PheCe* 7.13304e+05 1.03803e+07 20.99574 62.07762 160.87149 1.00000 None parabolic box sum 2540 3368 7.00888 2.49367 130.65933 49PheHe* 85ProHda 49PheCe* 8.87036e+05 1.67057e+07 29.25932 183.77979 153.68024 1.00000 None parabolic box sum 2541 3369 6.58049 7.33572 126.92837 49PheHz 84ThrH 49PheCz 8.25576e+05 1.35503e+07 25.17372 62.10091 129.14954 1.00000 None parabolic box sum 2542 3373 6.58292 2.51934 127.14852 49PheHz 85ProHda 49PheCz 8.33678e+05 1.41471e+07 30.75719 52.95138 140.18577 1.00000 None parabolic box sum 2543 3374 6.58231 1.03926 126.98372 49PheHz 78LeuHdb* 49PheCz 1.16176e+06 1.71519e+07 26.33095 239.07714 154.92976 1.00000 None parabolic box sum 2544 3375 6.69441 3.41334 120.56820 82HisHd2 88ValHa 82HisCd2 1.50258e+06 2.41368e+07 24.64056 49.43084 154.04204 1.00000 None parabolic box sum 2545 3379 7.17922 7.68751 120.88893 65HisHd2 33SerH 65HisCd2 1.08973e+06 1.02110e+07 20.89679 21.55104 171.82611 1.00000 None parabolic box sum 2546 3380 6.18391 6.69260 124.96904 91HisHd2 82HisHd2 91HisCd2 1.58871e+06 2.48736e+07 20.38181 84.80025 149.24888 1.00000 None parabolic box sum 2547 3381 6.18787 6.62270 124.97243 91HisHd2 95GlnHe2b 91HisCd2 1.67563e+06 2.72741e+07 26.71808 83.51260 153.14978 1.00000 None parabolic box sum 2548 3382 6.18475 4.20642 125.10711 91HisHd2 91HisHa 91HisCd2 2.00536e+06 2.72157e+07 34.93965 38.82146 140.74041 1.00000 None parabolic box sum 2549 3383 6.18494 4.04679 124.95245 91HisHd2 78LeuHa 91HisCd2 1.16748e+06 1.91465e+07 35.16436 51.72584 142.36442 1.00000 None parabolic box sum 2550 3384 6.18365 3.42069 124.98909 91HisHd2 88ValHa 91HisCd2 2.04198e+06 3.40465e+07 27.37045 47.08488 154.21160 1.00000 None parabolic box sum 2551 3385 6.18278 3.14605 124.91544 91HisHd2 82HisHbb 91HisCd2 9.69901e+05 1.22410e+07 17.51155 153.31971 137.10338 1.00000 None parabolic box sum 2552 3386 6.18593 1.96946 124.98670 91HisHd2 92LeuHbb 91HisCd2 1.82171e+06 2.87937e+07 23.54860 63.77498 137.81458 1.00000 None parabolic box sum 2553 3387 6.18486 1.53965 124.91713 91HisHd2 74LeuHbb 91HisCd2 1.01794e+06 1.72295e+07 25.66427 198.31027 135.31584 1.00000 None parabolic box sum 2554 3388 6.84326 7.72207 118.29846 37TyrHe* 36GlyH 37TyrCe* 1.37378e+06 1.35679e+07 21.32267 23.70051 154.09675 1.00000 None parabolic box sum 2555 3389 6.84335 7.81121 118.40865 86HisHd2 90GluH 86HisCd2 8.64516e+05 3.10185e+06 25.29114 12.52116 129.50832 1.00000 None parabolic box sum 2556 3390 6.83964 4.37038 118.45503 86HisHd2 84ThrHb 86HisCd2 1.01967e+06 1.39440e+07 20.77073 147.47033 154.25694 1.00000 None parabolic box sum 2557 3391 6.84075 3.98846 118.39693 37TyrHe* 35LeuHa 37TyrCe* 3.40916e+06 6.35713e+07 27.42618 170.40199 152.73358 1.00000 None None box sum 2558 3392 6.84075 4.07018 118.39693 37TyrHe* 36GlyHab 37TyrCe* 1.67947e+06 2.87075e+07 23.44072 202.78480 129.77037 1.00000 None None box sum 2559 3393 6.85020 3.08595 118.32473 86HisHd2 82HisHbb 86HisCd2 1.21315e+06 2.13285e+07 24.28681 188.07555 184.31316 1.00000 None parabolic box sum 2560 3394 7.02658 7.72870 131.46765 37TyrHd* 33SerH 37TyrCd* 1.41055e+06 1.83174e+07 23.97060 31.34400 146.71720 1.00000 None parabolic box sum 2561 3395 7.02633 8.76393 131.53349 37TyrHd* 32AlaH 37TyrCd* 1.39213e+06 2.12256e+07 22.65632 58.17107 120.48480 1.00000 None parabolic box sum 2562 3396 7.03128 4.48484 131.41687 37TyrHd* 40ThrHb 37TyrCd* 1.45363e+06 2.30751e+07 23.92620 43.93941 205.67048 1.00000 None parabolic box sum 2563 3397 7.02522 4.26845 131.29553 37TyrHd* 40ThrHa 37TyrCd* 1.22911e+06 2.20991e+07 29.72335 261.52623 139.36908 1.00000 None parabolic box sum 2564 3398 7.02706 4.01742 131.44539 37TyrHd* 35LeuHa 37TyrCd* 1.56988e+06 2.66514e+07 22.05193 98.83700 179.66750 1.00000 None parabolic box sum 2565 3399 7.02732 3.33946 131.41356 37TyrHd* 37TyrHbb 37TyrCd* 6.93442e+06 1.13718e+08 24.03200 54.93104 146.49595 1.00000 None parabolic box sum 2566 3400 7.02780 2.92872 131.40016 37TyrHd* 37TyrHba 37TyrCd* 7.47355e+06 1.25593e+08 24.05405 56.71758 148.53949 1.00000 None parabolic box sum 2567 3402 7.02623 1.78423 131.33162 37TyrHd* 43LeuHbb 37TyrCd* 1.27241e+06 2.14267e+07 21.18498 764.03997 200.45356 1.00000 None parabolic box sum 2568 3403 7.02776 1.52083 131.41463 37TyrHd* 32AlaHb* 37TyrCd* 1.09005e+07 1.82488e+08 24.22929 57.68432 148.29376 1.00000 None parabolic box sum 2569 3404 7.02618 1.39798 131.40805 37TyrHd* 35LeuHbb 37TyrCd* 7.53558e+06 1.33635e+08 23.84841 165.57589 159.28344 1.00000 None None box sum 2570 3405 7.02728 0.62984 131.40212 37TyrHd* 35LeuHdb* 37TyrCd* 6.31562e+06 1.04484e+08 23.79239 53.43395 155.82262 1.00000 None parabolic box sum 2571 3410 0.81427 4.86831 26.07879 74LeuHda* 74LeuHa 74LeuCda 1.75028e+06 2.58075e+07 22.87805 45.78031 137.46276 1.00000 None parabolic box sum 2572 3411 0.76712 3.44078 25.80850 92LeuHda* (27Val/88Val)Ha 92LeuCda 1.01457e+07 1.56836e+08 26.55387 51.63506 123.47773 1.00000 None parabolic box sum 2573 3413 0.76648 2.83373 25.78893 74LeuHda* 67GlnHgb 74LeuCda 7.10554e+06 1.17572e+08 54.77130 55.27067 141.50451 1.00000 None parabolic box sum 2574 3415 0.76745 1.54012 25.89848 74LeuHda* 74LeuHbb 74LeuCda 6.80841e+07 1.40169e+09 71.77711 70.01455 135.66192 1.00000 None parabolic box sum 2575 3416 0.77501 7.48168 23.52368 93LeuHda* 95GlnH 93LeuCda 2.69031e+06 5.03739e+07 27.38416 242.26949 136.43237 1.00000 None parabolic box sum 2576 3417 0.76940 8.14072 23.30151 28LeuHda* 45ThrH 28LeuCda 2.06871e+06 3.17816e+07 21.23237 169.57999 144.10179 1.00000 None parabolic box sum 2577 3418 0.78237 3.20165 23.32108 66LeuHda* 65HisHba 66LeuCda 2.51682e+06 4.14217e+07 26.78931 64.74569 123.81354 1.00000 None parabolic box sum 2578 3421 0.78040 2.26734 23.23139 66LeuHda* 27ValHb 66LeuCda 1.63749e+07 3.30666e+08 29.69325 795.01328 226.75698 1.00000 None parabolic box sum 2579 3423 0.78147 1.99927 23.34337 66LeuHda* 30GlnHga 66LeuCda 1.07160e+08 1.91036e+09 25.51436 199.46175 147.93921 1.00000 None parabolic box sum 2580 3425 0.77771 1.10237 23.33779 28LeuHda* (27Val/45Thr)(Hga*/Hg2*) 28LeuCda 1.01423e+08 1.62852e+09 25.40410 47.13386 142.97830 1.00000 None parabolic box sum 2581 3426 0.78080 0.92231 23.36262 28LeuHda* 28LeuHdb* 28LeuCda 2.34393e+08 2.89350e+09 26.44062 24.44149 152.46729 1.00000 None parabolic box sum 2582 3427 1.05499 3.01895 24.58441 78LeuHdb* 91HisHbb 78LeuCdb 6.39306e+06 1.10466e+08 25.48039 115.48091 128.92164 1.00000 None parabolic box sum 2583 3428 1.04259 2.34909 24.54944 78LeuHdb* 81AspHbb 78LeuCdb 8.78475e+06 1.41877e+08 23.82159 74.97404 131.49716 1.00000 None parabolic box sum 2584 3429 1.09528 7.52458 22.08844 45ThrHg2* 47GluH 45ThrCg2 1.86149e+06 2.55553e+07 19.42694 53.29460 134.64091 1.00000 None parabolic box sum 2585 3436 1.09425 4.78160 22.20737 45ThrHg2* 44AspHa 45ThrCg2 1.73413e+06 2.16431e+07 17.43317 53.08397 117.09351 1.00000 None parabolic box sum 2586 3437 1.09528 4.59321 22.11286 45ThrHg2* 46HisHa 45ThrCg2 1.01508e+06 1.63887e+07 24.00398 160.31022 137.71272 1.00000 None parabolic box sum 2587 3439 1.09990 4.06685 22.16295 45ThrHg2* 45ThrHb 45ThrCg2 4.34475e+07 6.90190e+08 23.16058 53.75208 135.28048 1.00000 None parabolic box sum 2588 3440 1.09942 3.89586 22.18139 45ThrHg2* 45ThrHa 45ThrCg2 2.74733e+07 4.57544e+08 23.41926 60.50727 138.88970 1.00000 None parabolic box sum 2589 3441 1.10083 2.71136 22.13744 45ThrHg2* 86HisHba 45ThrCg2 5.76266e+06 9.43367e+07 23.17965 71.71470 126.25787 1.00000 None parabolic box sum 2590 3442 1.09817 3.01939 22.18854 45ThrHg2* 24ArgHda 45ThrCg2 7.08367e+06 1.20090e+08 23.25058 133.19030 140.77698 1.00000 None parabolic box sum 2591 3443 1.09732 3.07101 22.18531 45ThrHg2* 24ArgHdb 45ThrCg2 6.21351e+06 1.07118e+08 23.90623 149.30147 137.06680 1.00000 None None box sum 2592 3446 1.28795 9.30166 22.07276 40ThrHg2* 29AspH 40ThrCg2 9.39029e+06 1.28597e+08 20.61486 44.91476 122.37420 1.00000 None parabolic box sum 2593 3447 1.30587 9.16241 21.76456 17ThrHg2* 19GlnH 17ThrCg2 2.99227e+06 3.73563e+07 19.05620 38.14005 134.05363 1.00000 None parabolic box sum 2594 3448 1.29792 8.87931 21.68983 70ThrHg2* 67GlnH 70ThrCg2 2.45478e+06 3.94747e+07 28.58520 45.05426 134.43658 1.00000 None parabolic box sum 2595 3449 1.28996 8.76021 22.02796 40ThrHg2* 32AlaH 40ThrCg2 7.50308e+06 1.09113e+08 21.16740 50.08990 128.86331 1.00000 None parabolic box sum 2596 3450 1.29891 8.64778 21.60216 70ThrHg2* 71GlyH 70ThrCg2 5.31004e+06 8.40378e+07 26.11458 56.50855 129.96533 1.00000 None parabolic box sum 2597 3451 1.29013 8.36148 22.02503 40ThrHg2* 40ThrH 40ThrCg2 1.01322e+07 1.89773e+08 29.77610 94.56922 132.17300 1.00000 None parabolic box sum 2598 3452 1.29851 7.89276 22.24530 8ThrHg2* 9SerH 8ThrCg2 5.15000e+06 8.08192e+07 23.67795 60.35518 126.04055 1.00000 None parabolic box sum 2599 3453 1.30026 7.32662 22.20572 8ThrHg2* 12AlaH 8ThrCg2 3.15699e+06 5.13893e+07 22.76897 48.17684 164.34318 1.00000 None parabolic box sum 2600 3455 1.28854 4.73974 21.93554 40ThrHg2* 39SerHa 40ThrCg2 1.79871e+06 1.74623e+07 14.92918 67.10281 132.36372 1.00000 None parabolic box sum 2601 3456 1.30050 3.97259 21.73476 17ThrHg2* 17ThrHa 17ThrCg2 4.85896e+07 7.50683e+08 46.38612 50.66992 135.75774 1.00000 None parabolic box sum 2602 3457 1.29134 3.85477 22.07885 40ThrHg2* 32AlaHa 40ThrCg2 8.58845e+06 1.44256e+08 21.97206 456.91002 148.21124 1.00000 None parabolic box sum 2603 3458 1.29733 3.71598 22.21015 8ThrHg2* 8ThrHa 8ThrCg2 4.71310e+07 7.42021e+08 23.18919 53.29061 128.46191 1.00000 None parabolic box sum 2604 3459 1.29829 3.58504 21.71873 70ThrHg2* 92LeuHa 70ThrCg2 2.45402e+06 3.15992e+07 22.90070 33.50203 149.13735 1.00000 None parabolic box sum 2605 3461 1.28866 2.93505 22.01304 40ThrHg2* 37TyrHba 40ThrCg2 5.24657e+06 7.77776e+07 20.66255 86.21611 136.60708 1.00000 None parabolic box sum 2606 3462 1.29120 2.63022 22.00154 40ThrHg2* 29AspHba 40ThrCg2 4.01865e+06 4.86412e+07 20.47539 67.99628 133.30192 1.00000 None parabolic box sum 2607 3463 1.28751 2.56879 22.02745 40ThrHg2* 29AspHba 40ThrCg2 3.19238e+06 4.71168e+07 19.44125 72.13954 130.25670 1.00000 None parabolic box sum 2608 3464 1.30020 2.36707 21.64862 17ThrHg2* 18GluHbb 17ThrCg2 7.81432e+06 1.10427e+08 20.71679 84.67921 139.30530 1.00000 None parabolic box sum 2609 3465 1.29651 2.28037 21.75429 17ThrHg2* 18GluHga 17ThrCg2 8.27479e+06 1.13901e+08 21.89636 34.51495 146.23208 1.00000 None parabolic box sum 2610 3467 1.73785 0.76928 18.48855 87AlaHb* 92LeuHda* 87AlaCb 1.43329e+06 1.84370e+07 24.96898 32.95615 304.70094 1.00000 None parabolic box sum 2611 3468 1.57949 3.08684 17.98781 21AlaHb* 24ArgHdb 21AlaCb 1.90934e+06 3.16193e+07 25.92325 144.83610 122.48875 1.00000 None parabolic box sum 2612 3470 1.52972 7.81255 18.08364 32AlaHb* 36GlyH 32AlaCb 1.68712e+06 1.23138e+07 15.03050 27.88488 154.95334 1.00000 None parabolic box sum 2613 3471 1.52901 9.16472 17.86757 16AlaHb* 19GlnH 16AlaCb 4.53084e+06 7.99037e+07 21.47555 104.06416 123.20177 1.00000 None None box sum 2614 3472 1.52717 0.09469 18.07942 32AlaHb* 35LeuHda* 32AlaCb 1.24503e+06 1.44731e+07 21.45827 26.18384 130.72157 1.00000 None parabolic box sum 2615 3473 1.45909 6.81087 18.30596 12AlaHb* 19GlnHe2a 12AlaCb 1.08609e+06 1.50626e+07 24.45519 35.64095 140.82172 1.00000 None parabolic box sum 2616 3475 1.45335 2.98903 18.05781 12AlaHb* 10LysHea 12AlaCb 1.05424e+06 1.65264e+07 60.46355 31.37665 185.98614 1.00000 None parabolic box sum 2617 3477 1.73902 3.90252 18.37829 87AlaHb* 86HisHa 87AlaCb 1.61917e+06 2.52047e+07 22.36307 136.50618 141.62209 1.00000 None parabolic box sum 2618 3479 -0.15097 8.20198 17.19215 79IleHg2* 49PheH 79IleCg2 1.11227e+06 1.80598e+07 24.45877 62.22862 128.43773 1.00000 None parabolic box sum 2619 3480 -0.14518 8.03884 17.21608 79IleHg2* 81AspH 79IleCg2 8.44307e+05 1.23028e+07 21.51847 49.70229 125.40884 1.00000 None parabolic box sum 2620 3481 -0.15050 9.07199 17.20780 79IleHg2* 75SerH 79IleCg2 1.48777e+06 1.94332e+07 20.38240 38.25861 139.12576 1.00000 None parabolic box sum 2621 3482 -0.14731 8.81625 17.12068 79IleHg2* 64AspH 79IleCg2 8.58295e+05 8.81831e+06 16.31260 45.10981 119.94165 1.00000 None parabolic box sum 2622 3483 0.00761 8.81207 13.66930 79IleHd1* 50LysH 79IleCd1 1.36989e+06 1.92931e+07 20.60175 55.14933 142.12462 1.00000 None parabolic box sum 2623 3484 0.00738 8.50727 13.56347 79IleHd1* 62LeuH 79IleCd1 1.45336e+06 2.03611e+07 19.87636 51.45400 143.23420 1.00000 None parabolic box sum 2624 3485 0.09036 2.83511 20.37740 35LeuHda* 54PheHbb 35LeuCda 1.19987e+06 1.67587e+07 20.18511 68.02256 116.57907 1.00000 None parabolic box sum 2625 3486 0.74197 8.28359 26.95282 66LeuHda* 68ThrH None 1.38266e+06 2.25460e+07 25.87736 39.35340 420.94088 1.00000 None parabolic box sum 2626 3490 1.42953 1.02417 43.24254 43LeuHba 52LeuHdb* 43LeuCb 2.89609e+06 4.50045e+07 31.23641 199.31841 117.58172 1.00000 None parabolic box sum 2627 3492 2.26831 1.24474 32.98746 95GlnHgb 96IleHg1a 95GlnCg 1.39764e+06 2.35335e+07 30.71964 54.10525 123.11639 1.00000 None parabolic box sum 2628 3493 1.96795 1.24008 32.83982 95GlnHga 96IleHg1a 95GlnCg 1.88958e+06 3.42111e+07 26.62122 56.74665 207.73095 1.00000 None parabolic box sum 2629 3495 1.47792 2.92336 19.22750 38AlaHb* 37TyrHba 38AlaCb 2.33781e+06 1.87444e+07 16.49797 32.43058 126.64385 1.00000 None parabolic box sum 2630 3496 7.03400 8.01076 131.42389 37TyrHd* 39SerH 37TyrCd* 7.71345e+05 9.71762e+06 26.96335 29.27456 168.83650 1.00000 None parabolic box sum 2631 3497 3.12192 8.02591 30.49886 82HisHbb 81AspH 82HisCb 1.07999e+06 1.67329e+07 24.75977 37.87573 167.91795 1.00000 None parabolic box sum 2632 3498 3.12018 7.32270 30.45720 82HisHbb 84ThrH 82HisCb 1.06314e+06 1.85243e+07 38.79786 45.05824 133.39320 1.00000 None parabolic box sum 2633 3499 2.36551 7.33491 30.39053 82HisHba 84ThrH 82HisCb 1.82665e+06 3.45482e+07 38.88488 48.47506 146.73442 1.00000 None parabolic box sum 2634 3500 3.11695 7.02506 30.22813 82HisHbb 49PheHe* 82HisCb 1.21110e+06 2.24277e+07 36.22055 65.21493 175.84640 1.00000 None parabolic box sum 2635 3501 3.13001 4.22177 30.39366 82HisHbb 87AlaHa 82HisCb 1.31425e+06 2.23634e+07 28.91183 46.65248 145.36672 1.00000 None parabolic box sum 2636 3502 2.39115 3.84558 30.70353 18GluHbb 19GlnHa 18GluCb 1.57883e+06 2.97908e+07 55.39834 49.79277 146.43036 1.00000 None parabolic box sum 2637 3503 3.11337 3.67869 30.38504 82HisHbb 83ProHdb 82HisCb 1.25738e+06 2.20121e+07 32.68898 48.95743 165.72419 1.00000 None parabolic box sum 2638 3504 3.20617 7.18482 28.76209 65HisHba 65HisHd2 65HisCb 4.23262e+06 7.79407e+07 39.58285 45.30829 143.59037 1.00000 None parabolic box sum 2639 3505 3.61028 7.18175 28.75271 65HisHbb 65HisHd2 65HisCb 4.63622e+06 8.24107e+07 36.06260 45.99631 140.06336 1.00000 None parabolic box sum 2640 3506 3.61296 8.28240 28.72322 65HisHbb 68ThrH 65HisCb 9.32335e+05 1.57556e+07 24.67871 63.59601 146.42884 1.00000 None parabolic box sum 2641 3507 3.61586 8.00974 28.71781 65HisHbb 69AlaH 65HisCb 9.17052e+05 1.28847e+07 24.91176 36.53940 138.55390 1.00000 None parabolic box sum 2642 3509 3.61081 8.73879 28.74922 65HisHbb 65HisH 65HisCb 1.35240e+07 2.55086e+08 35.76040 61.81404 140.31211 1.00000 None parabolic box sum 2643 3510 3.20419 8.73806 28.75355 65HisHba 65HisH 65HisCb 1.61394e+07 3.16279e+08 41.06224 61.49422 144.75496 1.00000 None parabolic box sum 2644 3511 3.61152 4.50849 28.75014 65HisHbb 65HisHa 65HisCb 9.79566e+06 1.79946e+08 37.02819 49.62913 140.37589 1.00000 None parabolic box sum 2645 3512 3.20562 4.50939 28.75005 65HisHba 65HisHa 65HisCb 7.06190e+06 1.31861e+08 38.41698 50.77623 141.87266 1.00000 None parabolic box sum 2646 3513 3.61166 4.06983 28.76242 65HisHbb 62LeuHa 65HisCb 6.84198e+06 1.30187e+08 35.11846 67.15815 140.21539 1.00000 None parabolic box sum 2647 3514 3.20397 4.06588 28.73335 65HisHba 62LeuHa 65HisCb 7.74760e+06 1.50243e+08 38.56659 60.67809 145.00794 1.00000 None parabolic box sum 2648 3515 3.20478 3.61415 28.74795 65HisHba 65HisHbb 65HisCb 4.10140e+07 7.84382e+08 39.10124 55.67520 142.69811 1.00000 None parabolic box sum 2649 3516 3.61153 3.20689 28.74517 65HisHbb 65HisHba 65HisCb 4.35987e+07 8.25896e+08 36.80706 57.31642 143.04057 1.00000 None parabolic box sum 2650 3517 3.61470 2.80936 28.80213 65HisHbb 64AspHba 65HisCb 1.67988e+06 2.93535e+07 34.38413 58.99705 134.58620 1.00000 None parabolic box sum 2651 3519 3.61386 2.09334 28.76702 65HisHbb 30GlnHbb 65HisCb 4.21876e+06 8.48920e+07 40.58957 118.23539 133.97716 1.00000 None parabolic box sum 2652 3520 3.60754 2.03505 28.84149 65HisHbb (66Leu/30Gln)Hb* 65HisCb 3.96376e+06 8.22418e+07 44.82269 121.56759 115.81557 1.00000 None parabolic box sum 2653 3521 3.20702 2.08649 28.69810 65HisHba 30GlnHbb 65HisCb 3.53111e+06 6.95619e+07 36.70096 117.60311 141.07108 1.00000 None parabolic box sum 2654 3522 3.20401 2.03010 28.73193 65HisHba 66LeuHbb 65HisCb 3.77882e+06 7.68108e+07 38.07366 114.02803 146.75075 1.00000 None parabolic box sum 2655 3524 3.61304 1.53248 28.75896 65HisHbb 69AlaHb* 65HisCb 1.33111e+06 2.27394e+07 38.37168 50.79693 123.88487 1.00000 None parabolic box sum 2656 3525 3.19707 1.52203 28.82496 65HisHba 69AlaHb* 65HisCb 2.38952e+06 4.35279e+07 25.88212 56.39149 194.30751 1.00000 None parabolic box sum 2657 3526 3.61427 1.27474 28.77462 65HisHbb 68ThrHg2* 65HisCb 1.09475e+06 1.98148e+07 40.21406 50.41629 118.17044 1.00000 None parabolic box sum 2658 3527 3.20077 1.27329 28.87203 65HisHba 68ThrHg2* 65HisCb 1.19302e+06 2.11374e+07 40.17711 57.76674 119.20657 1.00000 None parabolic box sum 2659 3528 3.61187 0.88376 28.76507 65HisHbb 62LeuHdb* 65HisCb 7.47827e+06 1.40981e+08 38.55467 59.35978 133.97111 1.00000 None parabolic box sum 2660 3529 3.20391 0.88057 28.76101 65HisHba 62LeuHdb* 65HisCb 8.71976e+06 1.72158e+08 40.68673 61.72883 144.24657 1.00000 None parabolic box sum 2661 3530 0.73996 3.19696 26.84532 66LeuHda* 65HisHba None 1.57731e+06 2.52965e+07 28.67401 55.75563 113.24459 1.00000 None parabolic box sum 2662 3531 0.62439 3.72385 25.96824 35LeuHdb* 34ValHa 35LeuCdb 1.39140e+06 1.81825e+07 20.31446 460.58544 118.46121 1.00000 None parabolic box sum 2663 3532 0.61899 2.89826 26.09566 35LeuHdb* 37TyrHba 35LeuCdb 1.13285e+06 1.70202e+07 18.61513 94.02045 153.93504 1.00000 None parabolic box sum 2664 3533 0.62409 2.67460 26.30113 79IleHg1b 49PheHba 79IleCg1 1.55486e+06 2.55058e+07 23.77450 66.21889 159.02259 1.00000 None parabolic box sum 2665 3534 7.17952 1.26665 120.81718 65HisHd2 62LeuHg 65HisCd2 7.65201e+05 9.76663e+06 16.00325 50.45651 226.76001 1.00000 None parabolic box sum 2666 3537 6.91722 4.10197 131.54555 54PheHz 54PheHa 54PheCd* 8.14118e+05 1.24287e+07 18.14604 67.41735 192.31898 1.00000 None parabolic box sum 2667 3538 6.90861 2.49129 131.74412 49PheHd* 85ProHda 49PheCd* 9.28301e+05 1.64365e+07 24.89805 175.85281 138.67510 1.00000 None parabolic box sum 2668 3539 6.91524 1.43695 131.87756 49PheHd* 59AlaHb* 49PheCd* 9.00158e+05 1.32889e+07 19.18614 162.09198 153.58654 1.00000 None parabolic box sum 2669 3543 7.21890 1.49471 131.42520 54PheHe* 62LeuHba 54PheCe* 4.71036e+06 9.48731e+07 40.81190 96.31346 167.20977 1.00000 None None box sum 2670 3546 4.74543 7.61450 70.93505 15ThrHb 18GluH 15ThrCb 2.25510e+06 3.89798e+07 28.81408 50.48935 127.21285 1.00000 None parabolic box sum 2671 3547 4.74553 8.24215 71.02210 15ThrHb 17ThrH 15ThrCb 3.29210e+06 5.90009e+07 31.10051 53.57699 127.52795 1.00000 None parabolic box sum 2672 3548 4.74807 8.87497 71.00384 15ThrHb 15ThrH 15ThrCb 2.99946e+06 4.63915e+07 25.10607 47.45010 142.13924 1.00000 None parabolic box sum 2673 3549 4.74674 9.09607 70.94520 15ThrHb 16AlaH 15ThrCb 4.88164e+06 7.60995e+07 25.48516 58.53036 132.42462 1.00000 None parabolic box sum 2674 3550 4.74761 4.39546 70.99844 15ThrHb 15ThrHa 15ThrCb 1.56534e+07 2.49176e+08 26.53241 49.69005 125.59971 1.00000 None parabolic box sum 2675 3551 4.74461 4.13309 70.91789 15ThrHb 17ThrHb 15ThrCb 2.74250e+06 4.71397e+07 26.69454 68.63055 144.77717 1.00000 None parabolic box sum 2676 3552 4.74795 1.55120 70.99864 15ThrHb 16AlaHb* 15ThrCb 5.98762e+06 8.97967e+07 27.40085 36.92223 145.00810 1.00000 None parabolic box sum 2677 3553 4.74631 1.42392 70.94670 15ThrHb 15ThrHg2* 15ThrCb 4.14449e+07 7.05077e+08 29.82140 46.98972 133.39501 1.00000 None parabolic box sum 2678 3555 4.41059 4.18899 70.11809 5ThrHb 6LeuHa 5ThrCb 3.89682e+06 5.15078e+07 25.72715 31.19230 133.96431 1.00000 None parabolic box sum 2679 3560 5.09390 7.32651 65.76015 83ProHa 84ThrH 83ProCa 9.60001e+06 1.69661e+08 29.33770 51.27055 162.49898 1.00000 None parabolic box sum 2680 3562 5.09311 6.91134 65.78568 83ProHa 49PheHd* 83ProCa 2.01145e+07 3.42756e+08 27.17048 58.11433 140.48017 1.00000 None parabolic box sum 2681 3563 5.08923 3.84323 65.76801 83ProHa 79IleHa 83ProCa 3.13706e+06 4.64957e+07 25.70271 39.15233 121.23137 1.00000 None parabolic box sum 2682 3564 5.08865 3.69995 65.90305 83ProHa 83ProHdb 83ProCa 5.16640e+06 1.00761e+08 88.53644 51.51641 204.15301 1.00000 None parabolic box sum 2683 3566 5.09283 2.29251 65.82556 83ProHa 83ProHbb 83ProCa 2.76356e+07 4.68311e+08 26.33363 112.34978 145.86212 1.00000 None parabolic box sum 2684 3567 5.09367 1.95804 65.77955 83ProHa 83ProHba 83ProCa 6.40603e+06 1.24590e+08 32.57543 120.68368 166.66752 1.00000 None parabolic box sum 2685 3568 4.06185 7.52186 68.70771 45ThrHb 47GluH 45ThrCb 1.09412e+06 2.00136e+07 22.73500 59.68149 154.14571 1.00000 None parabolic box sum 2686 3569 4.05890 6.98107 68.64744 45ThrHb 46HisHd2 45ThrCb 1.44483e+06 2.48087e+07 30.92349 45.30371 119.06360 1.00000 None parabolic box sum 2687 3570 4.06559 3.91449 68.68705 45ThrHb 45ThrHa 45ThrCb 2.29951e+07 4.13277e+08 32.48572 54.88565 139.10687 1.00000 None parabolic box sum 2688 3571 4.06621 3.02743 68.70531 45ThrHb 24ArgHda 45ThrCb 1.43404e+06 2.63035e+07 29.93643 179.69228 122.89272 1.00000 None parabolic box sum 2689 3573 4.10291 3.21365 68.56860 17ThrHb 20ArgHda 17ThrCb 9.39599e+05 1.48327e+07 25.05660 51.17917 138.05775 1.00000 None parabolic box sum 2690 3574 4.11133 1.93300 68.50214 17ThrHb 14LeuHbb 17ThrCb 2.05889e+06 4.02716e+07 53.81227 133.69119 227.58819 1.00000 None parabolic box sum 2691 3575 4.13884 9.06789 68.60517 58ThrHb 59AlaH 58ThrCb 3.64480e+06 6.76944e+07 30.97415 104.89128 127.48518 1.00000 None None box sum 2692 3576 4.14311 2.68166 68.60983 58ThrHb 54PheHba 58ThrCb 1.33479e+06 2.59754e+07 96.33303 49.03388 130.99209 1.00000 None parabolic box sum 2693 3577 4.13782 2.19211 68.60505 58ThrHb 61GluHga 58ThrCb 4.57879e+06 8.22729e+07 30.44844 140.52840 128.80482 1.00000 None parabolic box sum 2694 3579 4.13710 1.25730 68.59598 58ThrHb 58ThrHg2* 58ThrCb 5.68731e+07 1.05472e+09 34.88481 55.04133 134.71118 1.00000 None parabolic box sum 2695 3580 4.26614 8.28701 68.40227 68ThrHb 68ThrH 68ThrCb 2.94784e+07 5.05178e+08 30.40850 48.58047 134.80171 1.00000 None parabolic box sum 2696 3581 4.26039 8.88601 68.37170 68ThrHb 67GlnH 68ThrCb 1.90892e+06 3.08174e+07 26.38221 49.95413 128.38272 1.00000 None parabolic box sum 2697 3582 4.26717 8.76706 68.41356 68ThrHb 66LeuH 68ThrCb 1.10160e+06 1.94788e+07 31.38721 140.08017 159.93661 1.00000 None parabolic box sum 2698 3583 4.26202 7.74818 68.00960 8ThrHb 10LysH 8ThrCb 1.43900e+06 2.35826e+07 24.00696 48.57570 158.79862 1.00000 None parabolic box sum 2699 3584 4.27168 7.61926 68.27772 68ThrHb 70ThrH 68ThrCb 1.20269e+06 1.98468e+07 32.87137 47.24196 139.96739 1.00000 None parabolic box sum 2700 3585 4.26472 4.50549 68.37786 68ThrHb 65HisHa 68ThrCb 1.09986e+07 1.81949e+08 29.08587 61.39677 138.20056 1.00000 None parabolic box sum 2701 3586 4.26633 3.94827 68.41965 68ThrHb 68ThrHa 68ThrCb 2.47992e+07 4.10912e+08 29.73378 45.75224 136.75473 1.00000 None parabolic box sum 2702 3587 4.26843 3.60601 68.43313 68ThrHb 65HisHbb 68ThrCb 1.35407e+06 2.35460e+07 36.43215 128.55691 143.74316 1.00000 None parabolic box sum 2703 3588 4.26533 3.18685 68.43970 68ThrHb 65HisHba 68ThrCb 9.82026e+05 1.22845e+07 20.12551 45.88403 115.29101 1.00000 None parabolic box sum 2704 3589 4.27656 2.58033 68.30517 68ThrHb 67GlnHga 68ThrCb 1.37467e+06 2.30336e+07 30.66957 51.33365 147.63620 1.00000 None parabolic box sum 2705 3590 4.26661 2.27320 68.22899 68ThrHb 67GlnHba 68ThrCb 1.15636e+06 1.69730e+07 30.63202 44.11620 127.77051 1.00000 None parabolic box sum 2706 3591 4.26980 2.04467 68.21469 68ThrHb 66LeuHbb 68ThrCb 1.33814e+06 2.27312e+07 24.23704 182.77165 125.06381 1.00000 None parabolic box sum 2707 3593 4.27076 1.67699 68.16604 8ThrHb 6LeuHbb 8ThrCb 1.01421e+06 1.89161e+07 32.65679 200.71078 164.26868 1.00000 None parabolic box sum 2708 3594 4.09554 7.68250 67.71776 23ThrHa 25LysH 23ThrCa 1.49701e+06 3.13947e+07 32.37605 133.25132 191.62682 1.00000 None parabolic box sum 2709 3595 3.80670 7.95413 67.56206 23ThrHb 27ValH 23ThrCb 1.71253e+06 3.28417e+07 26.45195 128.46294 161.27847 1.00000 None None box sum 2710 3596 3.80280 1.62925 67.56206 23ThrHb 26LeuHg 23ThrCb 2.27334e+06 4.40543e+07 30.25949 371.81791 159.25578 1.00000 None None box sum 2711 3597 3.71242 8.33600 66.67744 8ThrHa 7LeuH 8ThrCa 1.12040e+06 2.03314e+07 34.28578 57.47001 146.93180 1.00000 None parabolic box sum 2712 3598 3.71220 2.43649 65.78300 34ValHa 61GluHgb 34ValCa 1.20030e+06 1.85061e+07 22.79043 48.90965 151.47937 1.00000 None parabolic box sum 2713 3599 4.08958 8.25515 65.98711 85ProHa 87AlaH 85ProCa 1.16730e+06 2.04244e+07 131.26791 50.07019 117.07099 1.00000 None parabolic box sum 2714 3600 4.08762 7.33006 66.11923 85ProHa 84ThrH 85ProCa 9.35215e+05 1.52408e+07 27.70185 48.56305 105.08719 1.00000 None parabolic box sum 2715 3603 3.96474 2.27971 66.12871 68ThrHa 67GlnHba 68ThrCa 1.96100e+06 3.70738e+07 40.79163 141.48877 142.80708 1.00000 None parabolic box sum 2716 3604 3.97754 1.94272 65.99365 17ThrHa 20ArgHbb 17ThrCa 1.04199e+07 1.83513e+08 25.34926 120.23774 138.15930 1.00000 None parabolic box sum 2717 3605 3.94701 0.91958 66.13529 68ThrHa 6LeuHd* 68ThrCa 1.78854e+06 2.95457e+07 26.11816 126.18427 132.13960 1.00000 None parabolic box sum 2718 3607 3.97142 0.81344 66.11101 17ThrHa 93LeuHda* 17ThrCa 1.64203e+06 3.31611e+07 45.58504 74.49306 139.70897 1.00000 None parabolic box sum 2719 3608 4.40098 6.91463 64.57263 48SerHbb 49PheHd* 48SerCb 1.04683e+06 1.84500e+07 29.24442 57.40481 142.33239 1.00000 None parabolic box sum 2720 3609 4.03674 2.99462 64.47377 48SerHba 51AspHbb 48SerCb 1.76409e+06 2.82211e+07 27.72868 50.21522 133.09246 1.00000 None parabolic box sum 2721 3610 4.03563 2.82644 64.49640 48SerHba 51AspHba 48SerCb 1.46664e+06 2.41445e+07 27.43065 63.21556 120.14477 1.00000 None parabolic box sum 2722 3611 4.39748 2.68638 64.42399 48SerHbb 49PheHba 48SerCb 1.37768e+06 2.38740e+07 30.21598 68.94271 131.15561 1.00000 None parabolic box sum 2723 3613 4.39919 2.29264 64.49055 48SerHbb (47Glu/83Pro)(Hga/Hbb) 48SerCb 1.55653e+06 2.27068e+07 26.44718 144.38100 107.18741 1.00000 None parabolic box sum 2724 3614 4.39333 1.50931 64.63491 48SerHbb 50LysHga 48SerCb 1.39782e+06 2.03295e+07 22.47214 53.94439 143.27723 1.00000 None parabolic box sum 2725 3615 4.11781 7.39433 64.63243 58ThrHa 54PheHd* 58ThrCa 2.00365e+06 2.99976e+07 19.82927 67.88101 137.46669 1.00000 None parabolic box sum 2726 3616 4.11842 7.20575 64.69887 58ThrHa 54PheHe* 58ThrCa 6.09389e+06 1.02046e+08 27.30012 52.31134 141.91951 1.00000 None parabolic box sum 2727 3617 4.11907 8.99269 64.67439 58ThrHa 58ThrH 58ThrCa 1.35306e+07 2.30469e+08 27.90451 61.21013 142.47989 1.00000 None parabolic box sum 2728 3618 4.11930 8.49336 64.66443 58ThrHa 62LeuH 58ThrCa 5.48346e+06 8.81022e+07 28.02312 46.47669 140.87642 1.00000 None parabolic box sum 2729 3619 4.11893 8.35999 64.66595 58ThrHa 57LeuH 58ThrCa 1.89181e+06 3.10925e+07 69.94069 38.32694 128.67470 1.00000 None parabolic box sum 2730 3620 4.11841 9.07714 64.62172 58ThrHa 59AlaH 58ThrCa 5.32722e+06 1.00346e+08 27.51291 110.63326 141.91679 1.00000 None None box sum 2731 3621 4.12151 8.16265 64.77111 58ThrHa 55AspH 58ThrCa 8.94856e+05 1.14017e+07 19.33932 42.93824 123.85313 1.00000 None parabolic box sum 2732 3622 4.11853 2.42780 64.69489 58ThrHa 61GluHgb 58ThrCa 9.85139e+06 1.59827e+08 27.22561 47.47229 139.16476 1.00000 None parabolic box sum 2733 3623 4.11878 2.17827 64.66840 58ThrHa 61GluHga 58ThrCa 3.06467e+07 5.20045e+08 28.20849 112.07744 139.15841 1.00000 None parabolic box sum 2734 3625 4.11608 1.90425 64.62172 58ThrHa 60LeuHbb 58ThrCa 3.77782e+06 4.93509e+07 17.93027 48.51468 168.15703 1.00000 None parabolic box sum 2735 3626 4.11864 1.75426 64.67268 58ThrHa 57LeuHba 58ThrCa 3.87130e+06 6.42483e+07 28.46956 52.77340 134.47890 1.00000 None parabolic box sum 2736 3627 4.11971 1.39879 64.63286 58ThrHa 59AlaHb* 58ThrCa 2.37724e+06 3.25598e+07 25.41125 33.14448 132.67655 1.00000 None parabolic box sum 2737 3628 4.11877 1.24982 64.67458 58ThrHa 58ThrHg2* 58ThrCa 5.35508e+07 8.88538e+08 27.98259 46.99729 141.01546 1.00000 None parabolic box sum 2738 3629 4.11805 1.00678 64.66749 58ThrHa 34ValHgb* 58ThrCa 1.63141e+07 2.70024e+08 28.09346 48.34586 141.97724 1.00000 None parabolic box sum 2739 3630 4.11846 0.86987 64.61986 58ThrHa 34ValHga* 58ThrCa 3.26176e+06 5.42700e+07 27.60231 148.71737 137.86566 1.00000 None parabolic box sum 2740 3632 4.46732 0.91437 63.27877 97ProHa 96IleHg2* 97ProCa 3.88935e+06 5.74576e+07 23.45264 51.32728 117.99513 1.00000 None parabolic box sum 2741 3633 4.46779 1.23442 63.32069 97ProHa 99IleHg1a 97ProCa 1.93467e+06 2.89887e+07 26.07882 57.48882 117.29148 1.00000 None parabolic box sum 2742 3634 4.50519 7.75264 62.07291 70ThrHa 72LeuH 70ThrCa 2.08394e+06 3.51336e+07 30.87997 128.66620 131.59478 1.00000 None parabolic box sum 2743 3635 4.50557 7.63463 62.05293 70ThrHa 70ThrH 70ThrCa 7.88524e+06 1.37009e+08 29.83570 50.15530 139.93006 1.00000 None parabolic box sum 2744 3636 4.50334 8.01101 62.00051 70ThrHa (8Thr/69Ala)H 70ThrCa 2.32487e+06 3.78232e+07 28.51665 50.72736 129.32697 1.00000 None parabolic box sum 2745 3637 4.50598 8.32997 62.02237 70ThrHa 7LeuH 70ThrCa 8.49983e+06 1.43447e+08 28.33366 50.72765 133.48116 1.00000 None parabolic box sum 2746 3638 4.50458 8.64427 62.06341 70ThrHa 71GlyH 70ThrCa 4.29842e+06 6.96018e+07 26.23796 49.33160 132.30146 1.00000 None parabolic box sum 2747 3639 4.50510 4.13720 62.04190 70ThrHa 70ThrHb 70ThrCa 2.62280e+07 4.69206e+08 29.17409 58.39822 141.64445 1.00000 None parabolic box sum 2748 3642 4.50581 1.84556 62.01644 70ThrHa 7LeuHbb 70ThrCa 7.15498e+06 1.22388e+08 28.43559 56.09566 137.86083 1.00000 None parabolic box sum 2749 3644 4.50867 1.66644 62.10974 70ThrHa 6LeuHbb 70ThrCa 5.54319e+06 1.07560e+08 28.21684 179.77430 142.33178 1.00000 None None box sum 2750 3645 4.50539 1.29874 62.03289 70ThrHa 70ThrHg2* 70ThrCa 3.89999e+07 6.78763e+08 29.54662 50.53017 140.19182 1.00000 None parabolic box sum 2751 3646 4.50510 0.89650 62.04374 70ThrHa (7Leu/6Leu)(Hdb*/Hda*) 70ThrCa 1.57695e+07 2.87161e+08 28.95296 125.25416 141.76566 1.00000 None parabolic box sum 2752 3648 3.84507 7.35338 61.97313 79IleHa 78LeuH 79IleCa 1.38112e+06 2.06476e+07 25.38264 46.56329 126.94308 1.00000 None parabolic box sum 2753 3649 3.84232 6.58448 61.95187 79IleHa 49PheHz 79IleCa 1.07798e+06 1.79089e+07 30.63500 42.95516 128.01397 1.00000 None parabolic box sum 2754 3650 3.84478 5.10313 61.90193 79IleHa 83ProHa 79IleCa 1.48529e+06 2.39405e+07 31.82471 43.65612 132.99906 1.00000 None parabolic box sum 2755 3651 3.85231 2.88206 61.71131 79IleHa 80PheHba 79IleCa 1.48463e+06 1.92304e+07 20.05696 48.69863 110.04553 1.00000 None parabolic box sum 2756 3652 3.84069 2.68825 61.88491 79IleHa 49PheHba 79IleCa 1.43662e+06 2.43436e+07 26.83640 76.31783 154.39447 1.00000 None parabolic box sum 2757 3654 3.99204 7.89620 62.66044 9SerHba 9SerH 9SerCb 1.95450e+07 3.21480e+08 27.00508 48.87690 135.36934 1.00000 None parabolic box sum 2758 3655 3.99248 7.74301 62.68572 9SerHba 10LysH 9SerCb 1.38998e+07 2.27795e+08 29.20687 49.49943 127.12141 1.00000 None parabolic box sum 2759 3656 3.99456 8.03229 62.70736 9SerHba 8ThrH 9SerCb 2.35271e+06 4.16334e+07 91.61472 34.33618 123.38706 1.00000 None None box sum 2760 3657 3.99497 8.22957 62.72301 9SerHba 6LeuH 9SerCb 1.39039e+06 2.27669e+07 76.79284 45.62682 129.19700 1.00000 None parabolic box sum 2761 3659 3.98738 4.42621 62.60627 9SerHba 5ThrHa 9SerCb 3.86644e+06 4.87860e+07 22.43280 30.49990 143.34645 1.00000 None parabolic box sum 2762 3660 4.00011 1.92910 62.48851 56SerHa 60LeuHg 56SerCa 4.18597e+06 7.73329e+07 33.26833 67.19160 153.37708 1.00000 None parabolic box sum 2763 3662 3.99282 1.26024 62.69675 9SerHba 5ThrHg2* 9SerCb 6.40460e+06 1.06945e+08 28.23412 51.26159 131.74259 1.00000 None parabolic box sum 2764 3664 4.00238 1.02436 62.15131 76SerHa 60LeuHda* 76SerCa 2.08728e+07 3.82735e+08 35.54821 62.78635 138.44569 1.00000 None parabolic box sum 2765 3665 4.05463 8.02256 62.77779 33SerHba 34ValH 33SerCb 2.21174e+07 3.86125e+08 33.50914 49.01098 127.68754 1.00000 None parabolic box sum 2766 3666 4.05541 7.68265 62.78127 33SerHba 33SerH 33SerCb 4.98318e+07 8.77570e+08 33.64503 49.18488 127.45661 1.00000 None parabolic box sum 2767 3667 4.05785 8.18933 62.79825 33SerHba 65HisHe1 33SerCb 2.12527e+06 3.54853e+07 36.94296 149.73487 114.26047 1.00000 None parabolic box sum 2768 3668 4.05685 8.90579 62.86589 33SerHba 31AlaH 33SerCb 1.40759e+06 1.80806e+07 28.35393 41.36431 116.52769 1.00000 None parabolic box sum 2769 3669 4.05779 8.75254 62.82006 33SerHba 32AlaH 33SerCb 3.52437e+06 6.30663e+07 35.25555 48.50044 126.52869 1.00000 None parabolic box sum 2770 3670 4.04885 7.18432 62.77649 33SerHba 65HisHd2 33SerCb 4.31474e+06 7.83484e+07 42.45400 49.02273 131.51378 1.00000 None parabolic box sum 2771 3671 4.05481 6.89593 62.78478 33SerHba 30GlnHe2a 33SerCb 1.32058e+06 2.10712e+07 36.33797 41.26815 113.82432 1.00000 None parabolic box sum 2772 3676 4.05670 1.52845 62.78640 33SerHba 32AlaHb* 33SerCb 6.04150e+06 1.02614e+08 31.01170 52.19249 132.55867 1.00000 None parabolic box sum 2773 3677 4.05415 0.85702 62.78457 33SerHba 34ValHga* 33SerCb 9.44405e+06 1.70921e+08 34.53970 60.36712 128.79893 1.00000 None parabolic box sum 2774 3678 4.01754 8.36198 62.63310 56SerHa 57LeuH 56SerCa 8.19735e+06 1.41161e+08 32.82189 48.09561 126.56738 1.00000 None parabolic box sum 2775 3679 4.01748 9.06877 62.52571 56SerHa 59AlaH 56SerCa 1.86300e+06 3.25871e+07 33.33986 84.44295 307.06790 1.00000 None parabolic box sum 2776 3680 4.01857 8.97443 62.64860 56SerHa 58ThrH 56SerCa 1.08168e+06 1.51388e+07 24.59466 102.00134 112.69691 1.00000 None parabolic box sum 2777 3681 4.01983 7.22441 62.55820 56SerHa 60LeuH 56SerCa 3.31527e+06 6.52442e+07 36.04472 95.58841 124.12184 1.00000 None parabolic box sum 2778 3683 4.00609 1.72058 62.65648 56SerHa 57LeuHg 56SerCa 4.33923e+06 7.83133e+07 34.36804 128.46772 124.68312 1.00000 None parabolic box sum 2779 3684 4.00798 1.42243 62.60697 56SerHa 59AlaHb* 56SerCa 1.41538e+07 2.61560e+08 36.75699 55.51195 131.25112 1.00000 None parabolic box sum 2780 3688 4.43426 1.42704 61.73705 5ThrHa 4AlaHb* 5ThrCa 5.69572e+06 1.76581e+08 55.47523 54.54641 187.21873 1.00000 None None box sum 2781 3689 4.31097 8.74853 61.30104 9SerHa 13GlyH 9SerCa 1.67808e+06 2.70834e+07 27.23396 45.23075 159.35175 1.00000 None parabolic box sum 2782 3691 4.29933 3.71276 61.16617 9SerHa 8ThrHa 9SerCa 2.48339e+06 3.64691e+07 25.50721 39.02452 136.56899 1.00000 None parabolic box sum 2783 3693 4.40691 7.87808 61.10206 77ThrHa 77ThrH 77ThrCa 9.74271e+06 1.61769e+08 26.78275 46.22834 143.64296 1.00000 None parabolic box sum 2784 3694 4.40500 7.35930 61.07988 77ThrHa 78LeuH 77ThrCa 9.38606e+06 1.63825e+08 28.70440 51.96832 141.50451 1.00000 None parabolic box sum 2785 3695 4.40751 7.25016 60.99912 77ThrHa 80PheHe* 77ThrCa 3.03607e+06 5.02532e+07 25.79331 246.58426 144.41613 1.00000 None parabolic box sum 2786 3696 4.40579 7.12006 61.07798 77ThrHa 80PheHd* 77ThrCa 1.66360e+07 2.88675e+08 28.02253 57.03273 141.49605 1.00000 None parabolic box sum 2787 3699 4.40802 3.23648 61.18025 77ThrHa 80PheHbb 77ThrCa 2.06487e+06 3.42416e+07 29.60324 49.06931 130.25761 1.00000 None parabolic box sum 2788 3700 4.40370 2.88762 61.10487 77ThrHa 80PheHba 77ThrCa 3.58821e+06 6.17078e+07 27.87232 57.58876 139.39991 1.00000 None parabolic box sum 2789 3701 4.39100 2.39749 61.24562 15ThrHa 18GluHbb 15ThrCa 2.19769e+06 4.09196e+07 30.79295 99.73486 134.74881 1.00000 None parabolic box sum 2790 3702 4.40093 2.10960 61.14762 77ThrHa 78LeuHbb 77ThrCa 1.66057e+06 2.61834e+07 23.65768 58.11831 140.07877 1.00000 None parabolic box sum 2791 3703 4.39458 1.74657 61.19470 15ThrHa 14LeuHba 15ThrCa 2.92719e+06 4.44815e+07 27.53496 40.98904 130.94735 1.00000 None parabolic box sum 2792 3704 4.39337 1.54699 61.23815 15ThrHa 16AlaHb* 15ThrCa 8.02009e+06 1.26123e+08 28.60427 130.59350 149.14612 1.00000 None parabolic box sum 2793 3705 4.39110 1.42417 61.19020 15ThrHa 15ThrHg2* 15ThrCa 4.52173e+07 7.61784e+08 28.69070 47.98353 137.50749 1.00000 None parabolic box sum 2794 3706 4.40602 1.13748 61.06559 77ThrHa 77ThrHg2* 77ThrCa 5.09088e+07 8.56689e+08 27.95041 47.72871 139.04053 1.00000 None parabolic box sum 2795 3707 4.40888 1.00274 61.11139 77ThrHa (78Leu/60Leu)(Hdb*/Hda*) 77ThrCa 2.31803e+06 2.19096e+07 24.15717 25.12871 136.31087 1.00000 None parabolic box sum 2796 3708 3.63856 7.63644 60.92971 63ArgHa 63ArgH 63ArgCa 1.42910e+07 2.53209e+08 32.69851 48.77816 135.83784 1.00000 None parabolic box sum 2797 3709 3.63499 8.49097 60.88908 63ArgHa 62LeuH 63ArgCa 1.02244e+06 1.72948e+07 32.17280 40.44685 134.03549 1.00000 None parabolic box sum 2798 3710 3.63841 8.79563 60.89786 63ArgHa 64AspH 63ArgCa 8.37580e+06 1.50376e+08 32.81116 59.63053 134.27971 1.00000 None parabolic box sum 2799 3711 3.64580 7.05157 61.03190 63ArgHa 63ArgHe 63ArgCa 1.15767e+06 1.99366e+07 27.61662 50.09438 144.45149 1.00000 None parabolic box sum 2800 3713 3.63981 3.25165 60.90409 63ArgHa 65HisHba 63ArgCa 2.12753e+06 3.36263e+07 27.00269 64.05369 133.08702 1.00000 None parabolic box sum 2801 3715 3.63926 2.63498 60.92823 63ArgHa 67GlnHga 63ArgCa 9.69101e+05 1.51220e+07 26.82507 59.01975 124.38026 1.00000 None parabolic box sum 2802 3716 3.63998 2.29650 60.89773 63ArgHa 63ArgHbb 63ArgCa 8.72312e+06 1.69514e+08 38.38956 61.31076 145.31564 1.00000 None parabolic box sum 2803 3717 3.64195 2.04440 60.90984 63ArgHa 63ArgHba 63ArgCa 2.64244e+07 5.26684e+08 40.95733 61.88173 139.83062 1.00000 None parabolic box sum 2804 3718 3.63958 1.81584 60.85585 63ArgHa 62LeuHbb 63ArgCa 3.93100e+06 8.01120e+07 39.13283 268.18029 140.55029 1.00000 None parabolic box sum 2805 3719 3.63851 1.51826 60.92834 63ArgHa (74Leu/62Leu)Hb* 63ArgCa 3.40574e+06 5.97130e+07 29.49178 200.72591 128.49153 1.00000 None parabolic box sum 2806 3720 3.63813 1.36197 60.90706 63ArgHa 74LeuHba 63ArgCa 1.18482e+07 2.20916e+08 33.23793 68.92996 133.97655 1.00000 None parabolic box sum 2807 3721 3.63747 1.05838 60.88753 63ArgHa 66LeuHdb* 63ArgCa 7.38551e+06 1.30729e+08 32.74381 53.22770 135.50173 1.00000 None parabolic box sum 2808 3722 3.63767 0.81111 60.90299 63ArgHa (78Leu/74Leu)Hda* 63ArgCa 2.56531e+07 4.73859e+08 33.26833 71.95001 133.37930 1.00000 None parabolic box sum 2809 3723 3.73588 8.57129 60.66063 24ArgHa 24ArgH 24ArgCa 1.69616e+07 2.96000e+08 31.38185 49.40695 133.57848 1.00000 None parabolic box sum 2810 3724 3.73887 8.37691 60.67001 24ArgHa 28LeuH 24ArgCa 3.15443e+06 5.58000e+07 34.60884 52.37674 132.84038 1.00000 None parabolic box sum 2811 3725 3.73622 7.96525 60.64740 24ArgHa 27ValH 24ArgCa 6.14339e+06 1.07617e+08 31.50582 50.85556 129.75194 1.00000 None parabolic box sum 2812 3726 3.73468 7.80818 60.66807 24ArgHa 26LeuH 24ArgCa 2.30518e+06 3.59962e+07 26.00491 47.80366 138.65243 1.00000 None parabolic box sum 2813 3727 3.73697 7.67167 60.65149 24ArgHa 25LysH 24ArgCa 5.54587e+06 1.00173e+08 31.37112 52.15058 143.60427 1.00000 None parabolic box sum 2814 3728 3.73608 4.11204 60.64693 24ArgHa 23ThrHa 24ArgCa 3.35382e+06 6.47297e+07 31.66437 77.54019 129.79063 1.00000 None parabolic box sum 2815 3729 3.73294 3.97185 60.61522 24ArgHa 25LysHa 24ArgCa 2.92154e+06 4.48076e+07 43.48576 36.19200 128.54715 1.00000 None parabolic box sum 2816 3730 3.73295 3.03295 60.67664 24ArgHa 24ArgHda 24ArgCa 2.99969e+06 5.47845e+07 28.29671 81.72963 135.65376 1.00000 None parabolic box sum 2817 3732 3.73616 1.90379 60.64952 24ArgHa 24ArgHbb 24ArgCa 1.23616e+07 2.33330e+08 31.84259 147.44724 132.86667 1.00000 None parabolic box sum 2818 3733 3.73544 1.79206 60.65585 24ArgHa 24ArgHba 24ArgCa 2.28219e+07 4.17793e+08 30.64871 112.75630 134.57864 1.00000 None parabolic box sum 2819 3734 3.73507 1.55048 60.66586 24ArgHa 28LeuHba 24ArgCa 2.00065e+06 2.95423e+07 25.99776 33.26831 142.81206 1.00000 None parabolic box sum 2820 3735 3.73559 1.40171 60.65968 24ArgHa 89AlaHb* 24ArgCa 3.40284e+07 6.04755e+08 31.21495 56.84977 134.20596 1.00000 None parabolic box sum 2821 3736 3.73540 1.09469 60.65097 24ArgHa 27ValHga* 24ArgCa 1.25793e+07 2.23371e+08 31.35502 57.05841 133.00571 1.00000 None parabolic box sum 2822 3737 3.73383 0.89123 60.64601 24ArgHa 28LeuHdb* 24ArgCa 3.30507e+06 6.01352e+07 29.80649 129.91225 138.34202 1.00000 None parabolic box sum 2823 3738 3.73293 0.78916 60.70450 24ArgHa 28LeuHda* 24ArgCa 3.73013e+06 7.01641e+07 105.97825 124.84048 129.68907 1.00000 None parabolic box sum 2824 3740 3.90125 9.16605 60.08029 20ArgHa 19GlnH 20ArgCa 1.17217e+06 1.85962e+07 26.59678 41.10167 250.41840 1.00000 None parabolic box sum 2825 3741 3.90676 8.57032 60.19199 86HisHa {*}H 86HisCa 8.81694e+06 2.13765e+08 59.33404 55.82252 138.14434 1.00000 None None box sum 2826 3742 3.90334 2.46599 60.20690 20ArgHa 19GlnHbb 20ArgCa 1.56749e+06 2.94816e+07 32.86004 50.96934 295.83339 1.00000 None parabolic box sum 2827 3743 4.03819 7.87635 59.84983 78LeuHa 77ThrH 78LeuCa 1.48144e+06 2.37129e+07 29.21820 40.65469 134.77178 1.00000 None parabolic box sum 2828 3745 4.04434 -0.14884 59.76690 78LeuHa 79IleHg2* 78LeuCa 1.39163e+06 2.58238e+07 41.51106 41.89207 132.85700 1.00000 None parabolic box sum 2829 3746 4.08786 7.76169 60.13172 54PheHa 53GlyH 54PheCa 1.51547e+06 2.72025e+07 26.72553 57.24943 163.22242 1.00000 None parabolic box sum 2830 3747 4.10371 3.85277 60.27148 54PheHa 59AlaHa 54PheCa 2.43818e+06 3.88550e+07 29.17588 41.69857 179.56292 1.00000 None parabolic box sum 2831 3748 4.08417 0.62755 60.23233 54PheHa 35LeuHdb* 54PheCa 1.57682e+06 2.68305e+07 28.87905 52.54366 140.07666 1.00000 None parabolic box sum 2832 3749 4.17928 9.30748 60.56449 67GlnHa 74LeuH 67GlnCa 1.25929e+06 1.94726e+07 22.14193 52.99229 131.08307 1.00000 None parabolic box sum 2833 3750 4.16972 8.01247 60.44379 67GlnHa 69AlaH 67GlnCa 1.34329e+06 2.23530e+07 33.24926 49.27845 106.73493 1.00000 None parabolic box sum 2834 3751 4.30561 7.23046 59.88063 50LysHa 80PheHe* 50LysCa 1.16621e+06 1.93840e+07 26.18551 42.65296 137.12726 1.00000 None parabolic box sum 2835 3752 4.30840 0.00777 59.81106 50LysHa 79IleHd1* 50LysCa 1.75379e+06 2.79373e+07 25.16568 57.27461 132.95191 1.00000 None parabolic box sum 2836 3756 3.87399 8.44791 59.04939 90GluHa 92LeuH 90GluCa 2.44159e+06 4.56964e+07 30.99799 107.03165 124.13242 1.00000 None None box sum 2837 3758 3.85948 1.23386 59.09360 19GlnHa 23ThrHg2* 19GlnCa 1.96460e+06 3.06880e+07 39.43861 41.98962 118.52559 1.00000 None parabolic box sum 2838 3759 3.98288 4.31612 59.05609 25LysHa 26LeuHa 25LysCa 2.60944e+06 4.02994e+07 29.50668 43.36089 243.97463 1.00000 None parabolic box sum 2839 3761 3.97854 1.29476 59.31499 25LysHa 40ThrHg2* 25LysCa 1.85301e+06 3.75717e+07 44.43765 264.16683 393.63518 1.00000 None parabolic box sum 2840 3763 3.99349 7.03199 58.35046 28LeuHa 37TyrHd* 28LeuCa 1.00611e+06 1.57995e+07 26.47877 41.01572 157.76884 1.00000 None parabolic box sum 2841 3764 3.98708 3.45288 58.34053 28LeuHa 27ValHa 28LeuCa 1.01882e+06 1.88977e+07 27.03130 48.31480 180.29649 1.00000 None parabolic box sum 2842 3765 3.98830 0.24066 58.14647 28LeuHa 62LeuHda* 28LeuCa 1.22063e+06 2.28430e+07 103.02663 55.66166 124.93520 1.00000 None parabolic box sum 2843 3766 4.18620 8.80949 59.25755 61GluHa 64AspH 61GluCa 8.75276e+06 1.50834e+08 28.63646 60.50877 136.41514 1.00000 None parabolic box sum 2844 3767 4.18560 8.71421 59.27935 61GluHa 65HisH 61GluCa 3.46395e+06 6.55387e+07 27.56357 115.08196 129.06914 1.00000 None None box sum 2845 3770 4.18852 2.97039 59.24520 61GluHa 64AspHbb 61GluCa 1.87752e+07 3.40931e+08 34.55818 59.20410 136.37011 1.00000 None parabolic box sum 2846 3771 4.18554 2.76205 59.25762 61GluHa 64AspHba 61GluCa 1.05358e+07 1.81909e+08 28.94998 53.09870 140.47896 1.00000 None parabolic box sum 2847 3772 4.18452 2.40370 58.97862 18GluHa 18GluHbb 18GluCa 3.00452e+07 5.57856e+08 29.28615 118.33373 150.25327 1.00000 None parabolic box sum 2848 3774 4.18939 2.07899 58.97085 18GluHa 18GluHba 18GluCa 4.69266e+07 9.24276e+08 38.01882 115.62226 210.76468 1.00000 None parabolic box sum 2849 3775 4.18355 1.58538 58.83740 18GluHa 21AlaHb* 18GluCa 3.76999e+07 6.40525e+08 28.54049 48.29330 145.91531 1.00000 None parabolic box sum 2850 3776 4.18735 1.73742 58.88311 18GluHa (20Arg/14Leu)(Hgb/Hba) 18GluCa 2.96802e+06 4.75584e+07 29.00660 61.47520 147.29511 1.00000 None parabolic box sum 2851 3777 4.18460 1.30325 58.80739 18GluHa 17ThrHg2* 18GluCa 6.36578e+06 1.12652e+08 31.40390 51.42961 286.95616 1.00000 None parabolic box sum 2852 3780 4.18452 0.85964 59.01185 18GluHa 22ValHga* 18GluCa 5.82178e+06 8.88953e+07 24.94574 58.43764 132.60432 1.00000 None parabolic box sum 2853 3781 4.21756 6.40188 59.01638 91HisHa 95GlnHe2a 91HisCa 1.09902e+06 1.90936e+07 35.95352 41.03563 142.00565 1.00000 None parabolic box sum 2854 3782 4.21505 2.31705 59.07965 91HisHa 94GluHga 91HisCa 1.31581e+07 3.13217e+08 51.19920 286.46144 155.75492 1.00000 None None box sum 2855 3783 4.21707 0.78107 59.07965 91HisHa 93LeuHda* 91HisCa 1.98958e+06 3.67404e+07 32.73666 71.02628 348.86822 1.00000 None None box sum 2856 3784 4.34364 8.48709 58.86057 96IleHa 98GlyH 96IleCa 1.36533e+06 2.21976e+07 32.44042 66.27861 127.63494 1.00000 None parabolic box sum 2857 3785 4.33116 7.46335 58.97868 96IleHa 95GlnH 96IleCa 1.43074e+06 2.12272e+07 23.17131 38.72450 149.65753 1.00000 None parabolic box sum 2858 3787 4.33290 1.42814 58.77246 96IleHa 4AlaHb* 96IleCa 2.01353e+06 3.80420e+07 29.11091 86.73810 128.56498 1.00000 None parabolic box sum 2859 3788 4.34204 1.08383 58.58387 26LeuHa 27ValHga* 26LeuCa 2.15512e+06 1.82725e+07 23.12541 29.31497 119.22078 1.00000 None parabolic box sum 2860 3789 4.51004 8.85996 59.19892 65HisHa 67GlnH 65HisCa 2.44882e+06 4.39946e+07 26.77202 155.54105 152.44009 1.00000 None None box sum 2861 3790 4.50681 8.16235 58.99692 65HisHa 65HisHe1 65HisCa 1.30601e+06 2.18824e+07 45.79782 39.32921 151.42633 1.00000 None parabolic box sum 2862 3791 4.50739 4.09821 59.00183 65HisHa 62LeuHa 65HisCa 2.96733e+06 5.25047e+07 25.20084 66.83484 154.39598 1.00000 None parabolic box sum 2863 3792 4.50829 3.20303 59.19892 65HisHa 65HisHba 65HisCa 1.16973e+07 2.23277e+08 28.77772 57.25828 260.04975 1.00000 None None box sum 2864 3796 4.50706 5.09852 58.35488 80PheHa 83ProHa 80PheCa 1.44933e+06 1.84748e+07 26.03650 32.87951 137.64562 1.00000 None parabolic box sum 2865 3797 4.47977 2.27606 58.50556 80PheHa 83ProHbb 80PheCa 4.78876e+06 8.71548e+07 33.04422 51.04300 150.40047 1.00000 None parabolic box sum 2866 3799 4.39212 9.04128 57.46352 75SerHa 75SerH 75SerCa 3.53252e+06 5.71621e+07 26.48771 48.49756 135.91582 1.00000 None parabolic box sum 2867 3802 4.61933 7.32623 56.49436 48SerHa 84ThrH 48SerCa 1.41627e+06 2.12838e+07 24.75619 38.76930 144.48535 1.00000 None parabolic box sum 2868 3804 4.24104 7.73638 56.93273 6LeuHa 10LysH 6LeuCa 1.24152e+06 1.89630e+07 21.10481 55.88811 563.90346 1.00000 None parabolic box sum 2869 3805 4.23328 4.46882 56.92786 6LeuHa 5ThrHa 6LeuCa 3.42949e+06 4.01214e+07 26.15213 25.16455 130.46919 1.00000 None parabolic box sum 2870 3806 4.33032 7.22975 55.79287 52LeuHa 54PheHe* 52LeuCa 1.58514e+06 2.88717e+07 39.42728 46.81055 134.04728 1.00000 None parabolic box sum 2871 3807 4.09279 7.59814 55.98667 81AspHa 80PheH 81AspCa 3.09074e+06 6.02025e+07 25.49946 128.32080 152.98747 1.00000 None None box sum 2872 3809 4.09648 4.52710 55.87206 81AspHa 80PheHa 81AspCa 1.39646e+06 2.12850e+07 24.96600 38.91901 137.79887 1.00000 None parabolic box sum 2873 3811 4.07801 0.88488 55.65185 21AlaHa 22ValHga* 21AlaCa 1.80030e+06 2.91786e+07 209.31900 41.37008 196.46441 1.00000 None parabolic box sum 2874 3812 4.16570 9.15560 55.80507 16AlaHa 19GlnH 16AlaCa 8.60077e+06 1.50920e+08 29.52039 61.30539 140.85708 1.00000 None parabolic box sum 2875 3813 4.16586 8.23656 55.81658 16AlaHa 17ThrH 16AlaCa 2.98874e+06 4.82719e+07 24.42956 59.08315 140.63402 1.00000 None parabolic box sum 2876 3814 4.17557 7.65528 55.83946 31AlaHa 35LeuH 31AlaCa 4.65244e+06 1.11131e+08 92.27216 74.40497 402.73607 1.00000 None None box sum 2877 3815 4.18599 1.02099 55.73177 31AlaHa (34Val/52Leu)(Hgb*/Hdb*) 31AlaCa 5.05132e+06 8.08166e+07 30.17664 194.94661 357.23403 1.00000 None parabolic box sum 2878 3816 4.00793 1.69616 54.92745 35LeuHa 31AlaHb* 35LeuCa 1.08695e+06 2.05605e+07 36.15558 54.03597 204.98950 1.00000 None parabolic box sum 2879 3817 3.86101 9.07205 55.60413 59AlaHa 59AlaH 59AlaCa 1.98676e+07 3.36787e+08 30.04670 47.16033 134.37613 1.00000 None parabolic box sum 2880 3818 3.86181 4.47452 55.48424 32AlaHa 40ThrHb 32AlaCa 1.10897e+06 1.53695e+07 22.30525 35.14604 164.86155 1.00000 None parabolic box sum 2881 3819 3.85754 4.35191 55.36000 32AlaHa 33SerHa 32AlaCa 2.27989e+06 3.61941e+07 31.56960 243.06153 129.04496 1.00000 None parabolic box sum 2882 3820 3.85147 2.23387 55.44755 32AlaHa 34ValHb 32AlaCa 1.87755e+06 3.72284e+07 48.39063 112.29483 135.83361 1.00000 None parabolic box sum 2883 3821 3.85909 2.02941 55.53566 59AlaHa 63ArgHba 59AlaCa 1.94837e+06 3.85971e+07 71.80333 412.80417 144.55789 1.00000 None parabolic box sum 2884 3823 3.79484 7.96136 55.85634 89AlaHa 27ValH 89AlaCa 1.20797e+06 2.08978e+07 31.77464 55.03874 140.63250 1.00000 None parabolic box sum 2885 3824 3.79529 3.42226 55.85884 89AlaHa 88ValHa 89AlaCa 1.35543e+06 2.32558e+07 24.51062 62.59881 143.73031 1.00000 None parabolic box sum 2886 3825 3.59813 7.31228 58.06774 92LeuHa 96IleH 92LeuCa 1.37716e+06 2.45959e+07 30.74586 43.24761 159.68906 1.00000 None parabolic box sum 2887 3828 3.59599 3.90626 57.77262 92LeuHa 93LeuHa 92LeuCa 1.46396e+06 2.35437e+07 28.41115 80.04860 140.67935 1.00000 None parabolic box sum 2888 3829 3.59040 3.01489 57.94674 92LeuHa 91HisHbb 92LeuCa 9.71634e+05 1.63881e+07 25.98107 52.50743 143.99600 1.00000 None parabolic box sum 2889 3830 3.59604 2.46694 58.03408 92LeuHa 94GluHgb 92LeuCa 8.86669e+05 1.26176e+07 19.01746 55.83964 128.13729 1.00000 None parabolic box sum 2890 3831 3.59469 1.84189 58.01119 92LeuHa 95GlnHba 92LeuCa 2.54142e+06 4.87447e+07 27.70960 340.69569 143.74845 1.00000 None None box sum 2891 3832 3.59340 1.50818 57.89805 92LeuHa 72LeuHg 92LeuCa 1.25176e+06 2.33105e+07 26.52705 157.97062 146.31459 1.00000 None parabolic box sum 2892 3833 4.34832 2.46486 54.95865 11LeuHa 19GlnHbb 11LeuCa 1.56018e+06 2.87213e+07 30.48599 196.88883 180.07041 1.00000 None parabolic box sum 2893 3838 4.13429 1.71581 54.11065 12AlaHa 14LeuHba 12AlaCa 1.36431e+06 2.72013e+07 37.18376 90.42387 197.51021 1.00000 None parabolic box sum 2894 3839 4.13042 1.23158 54.11424 12AlaHa 99IleHg1a 12AlaCa 1.52499e+06 2.16961e+07 27.06230 29.80630 154.38177 1.00000 None parabolic box sum 2895 3840 4.31943 8.64994 53.92108 69AlaHa 71GlyH 69AlaCa 1.20618e+06 2.03272e+07 39.69133 51.61296 143.20197 1.00000 None parabolic box sum 2896 3844 4.31852 0.78009 53.89568 69AlaHa 26LeuHda* 69AlaCa 2.34379e+06 3.67783e+07 139.35387 136.86493 93.04642 1.00000 None parabolic box sum 2897 3847 4.44448 3.86281 53.37113 72LeuHa 71GlyHaa 72LeuCa 1.50908e+06 2.95293e+07 37.82213 45.50060 247.54758 1.00000 None parabolic box sum 2898 3848 4.44536 2.27326 53.55609 72LeuHa 95GlnHbb 72LeuCa 1.18943e+06 2.12020e+07 26.98362 54.91551 197.90949 1.00000 None parabolic box sum 2899 3852 4.34501 3.34493 52.65330 38AlaHa 37TyrHbb 38AlaCa 1.32666e+06 2.31694e+07 23.12303 60.83297 143.09316 1.00000 None parabolic box sum 2900 3853 4.34400 2.92317 52.52880 38AlaHa 37TyrHba 38AlaCa 1.20187e+06 1.44685e+07 17.52138 40.35438 167.79403 1.00000 None parabolic box sum 2901 3855 4.34990 1.25334 52.47145 38AlaHa 40ThrHg2* 38AlaCa 2.14617e+06 2.13879e+07 21.62099 23.37203 401.32877 1.00000 None parabolic box sum 2902 3856 4.42723 8.01429 52.69860 4AlaHa 8ThrH 4AlaCa 1.47509e+06 2.35598e+07 82.01778 36.27602 116.29495 1.00000 None parabolic box sum 2903 3857 4.43022 3.83830 52.69343 4AlaHa 71GlyHaa 4AlaCa 1.49685e+06 2.48001e+07 23.67735 81.67071 216.82550 1.00000 None parabolic box sum 2904 3858 4.42371 1.83994 52.74223 4AlaHa 7LeuHbb 4AlaCa 1.33843e+06 2.20903e+07 27.34363 67.65784 124.74992 1.00000 None parabolic box sum 2905 3861 4.74131 3.85032 53.87867 14LeuHa 13GlyHaa 14LeuCa 1.30908e+06 2.54605e+07 50.45652 44.15522 191.37474 1.00000 None parabolic box sum 2906 3863 3.90661 8.51536 50.79179 97ProHdb 98GlyH 97ProCd 8.73780e+05 1.00729e+07 19.85431 41.42155 114.96080 1.00000 None parabolic box sum 2907 3864 3.68167 8.51146 50.82120 97ProHda 98GlyH 97ProCd 8.05417e+05 1.33888e+07 31.15952 59.18568 116.91034 1.00000 None parabolic box sum 2908 3866 3.91647 1.41916 50.67349 97ProHdb 99IleHg1b 97ProCd 1.40087e+06 2.04086e+07 26.10266 56.77770 99.56303 1.00000 None parabolic box sum 2909 3867 3.67583 1.42108 50.69309 97ProHda 99IleHg1b 97ProCd 2.00110e+06 2.95878e+07 25.33972 172.71770 110.80751 1.00000 None parabolic box sum 2910 3869 3.42983 1.33571 50.48606 83ProHda 88ValHgb* 83ProCd 1.12996e+06 1.80757e+07 28.49936 53.87989 197.96903 1.00000 None parabolic box sum 2911 3873 3.83263 8.74259 45.34265 13GlyHaa 13GlyH 13GlyCa 3.81899e+06 7.31259e+07 35.56252 105.15203 127.12413 1.00000 None parabolic box sum 2912 3874 4.08506 8.74876 45.33969 13GlyHab 13GlyH 13GlyCa 3.97015e+06 7.07236e+07 36.57222 46.77850 127.04642 1.00000 None parabolic box sum 2913 3875 4.08564 7.63115 45.52909 36GlyHab 35LeuH 36GlyCa 1.69809e+06 2.59053e+07 33.09906 37.02336 178.38379 1.00000 None parabolic box sum 2914 3878 4.08976 6.83270 45.84919 36GlyHab 37TyrHe* 36GlyCa 9.48557e+05 1.73316e+07 34.21485 47.31621 190.93511 1.00000 None parabolic box sum 2915 3882 3.82754 7.03027 45.71467 36GlyHaa 37TyrHd* 36GlyCa 7.61330e+05 1.40568e+07 34.86753 50.39837 131.39193 1.00000 None parabolic box sum 2916 3887 4.08648 1.70204 45.29028 13GlyHab 14LeuHba 13GlyCa 1.33362e+06 2.17218e+07 24.99759 74.33619 167.02252 1.00000 None parabolic box sum 2917 3889 4.31893 1.41640 45.68703 71GlyHab 4AlaHb* 71GlyCa 1.37841e+06 2.31439e+07 31.85034 44.87429 159.56408 1.00000 None parabolic box sum 2918 3890 3.82168 4.54844 44.89056 53GlyHaa 51AspHa 53GlyCa 1.10622e+06 1.62769e+07 29.44827 37.05004 137.67808 1.00000 None parabolic box sum 2919 3892 3.28971 8.98169 42.66757 55AspHbb 58ThrH 55AspCb 8.54375e+05 1.56241e+07 31.39198 56.13856 139.63862 1.00000 None parabolic box sum 2920 3894 2.75408 8.99456 42.52884 55AspHba 58ThrH 55AspCb 1.10456e+06 1.74906e+07 21.93391 62.55780 150.53966 1.00000 None parabolic box sum 2921 3895 2.74835 8.14514 42.68556 55AspHba 55AspH 55AspCb 4.05915e+06 7.80151e+07 37.24575 51.19420 150.51616 1.00000 None parabolic box sum 2922 3896 2.74186 7.25248 42.49057 55AspHba 80PheHe* 55AspCb 9.66692e+05 1.36739e+07 22.43876 37.30148 132.11610 1.00000 None parabolic box sum 2923 3897 2.74119 4.06894 42.67934 55AspHba 54PheHa 55AspCb 1.59773e+06 2.91179e+07 33.44536 84.70947 133.60750 1.00000 None parabolic box sum 2924 3898 3.29648 4.02616 42.66620 55AspHbb 56SerHa 55AspCb 1.94959e+06 3.94752e+07 39.69312 72.97647 154.69582 1.00000 None parabolic box sum 2925 3900 3.29283 2.74711 42.65380 55AspHbb 55AspHba 55AspCb 3.39820e+07 6.34978e+08 35.86411 55.66325 140.18502 1.00000 None parabolic box sum 2926 3902 1.52828 4.17923 45.09207 74LeuHbb 67GlnHa 74LeuCb 1.41735e+06 2.40874e+07 27.76682 49.99544 165.52583 1.00000 None parabolic box sum 2927 3903 3.35015 8.75990 38.48536 37TyrHbb 32AlaH 37TyrCb 8.68057e+05 1.44479e+07 33.68855 65.64862 165.42692 1.00000 None parabolic box sum 2928 3904 3.34215 7.65940 38.48610 37TyrHbb (33Ser/35Leu)H 37TyrCb 1.03085e+06 2.00566e+07 33.55265 109.16390 134.58378 1.00000 None parabolic box sum 2929 3905 3.33271 7.76542 38.41340 37TyrHbb 36GlyH 37TyrCb 8.33594e+05 1.51941e+07 35.58576 111.09756 152.68386 1.00000 None parabolic box sum 2930 3906 2.92630 7.70997 38.58409 37TyrHba 33SerH 37TyrCb 1.71092e+06 3.32584e+07 48.67196 160.45266 143.71006 1.00000 None parabolic box sum 2931 3907 3.33707 6.84352 38.39932 37TyrHbb 37TyrHe* 37TyrCb 1.36672e+06 2.51155e+07 34.19995 46.43827 156.34446 1.00000 None parabolic box sum 2932 3908 3.34194 2.25832 38.51982 37TyrHbb 41GluHga 37TyrCb 1.28075e+06 2.16929e+07 38.42950 41.99400 153.56508 1.00000 None parabolic box sum 2933 3909 2.92244 2.27634 38.59005 37TyrHba 41GluHga 37TyrCb 8.69541e+05 1.36056e+07 24.67334 98.76494 140.24456 1.00000 None parabolic box sum 2934 3912 2.93077 1.38847 38.48494 37TyrHba 35LeuHbb 37TyrCb 1.60363e+06 2.81722e+07 35.69782 41.85146 150.16562 1.00000 None parabolic box sum 2935 3913 3.34815 1.38109 38.41011 37TyrHbb 35LeuHbb 37TyrCb 8.87973e+05 1.60313e+07 29.34515 81.22278 181.95754 1.00000 None parabolic box sum 2936 3915 3.33695 1.30229 38.47388 37TyrHbb 40ThrHg2* 37TyrCb 1.43112e+06 2.37298e+07 26.26002 54.32663 171.87205 1.00000 None parabolic box sum 2937 3916 2.91300 1.30165 38.50726 37TyrHba 40ThrHg2* 37TyrCb 1.20633e+06 1.92644e+07 36.24976 95.00112 130.75950 1.00000 None parabolic box sum 2938 3917 3.33665 0.61988 38.41396 37TyrHbb 35LeuHdb* 37TyrCb 8.80783e+05 1.40416e+07 22.46439 51.28627 178.98078 1.00000 None parabolic box sum 2939 3918 2.92514 0.63584 38.56846 37TyrHba 35LeuHdb* 37TyrCb 1.14156e+06 1.90006e+07 48.27440 47.02595 114.74453 1.00000 None parabolic box sum 2940 3919 3.18337 7.99560 43.13156 20ArgHda 20ArgH 20ArgCd 4.28599e+06 7.83680e+07 43.67888 48.36576 125.32262 1.00000 None parabolic box sum 2941 3920 3.18035 7.69522 43.08226 20ArgHda 21AlaH 20ArgCd 2.56925e+06 4.44383e+07 35.28774 51.39955 121.90162 1.00000 None parabolic box sum 2942 3924 3.18679 1.92449 43.13215 20ArgHda 20ArgHbb 20ArgCd 1.19897e+07 2.49010e+08 43.08939 182.75294 131.81037 1.00000 None parabolic box sum 2943 3925 3.18733 1.76215 43.13290 20ArgHda 20ArgHgb 20ArgCd 1.88263e+07 3.84420e+08 43.31350 159.93037 131.10558 1.00000 None parabolic box sum 2944 3926 3.18619 1.51470 43.11800 20ArgHda 20ArgHga 20ArgCd 2.22002e+07 4.26717e+08 42.72342 57.61703 128.76092 1.00000 None parabolic box sum 2945 3929 2.79924 4.31681 43.34532 44AspHbb 47GluHa 44AspCb 1.03170e+06 1.85273e+07 37.13608 47.11554 203.55613 1.00000 None parabolic box sum 2946 3930 2.63602 4.32956 43.23535 44AspHba 47GluHa 44AspCb 8.78935e+05 1.45201e+07 31.91531 40.95480 163.79006 1.00000 None parabolic box sum 2947 3934 2.62575 1.11715 43.31519 44AspHba 45ThrHg2* 44AspCb 9.32476e+05 1.73469e+07 41.23151 250.53978 124.04718 1.00000 None parabolic box sum 2948 3935 2.80022 1.10788 43.30570 44AspHbb 45ThrHg2* 44AspCb 9.14784e+05 1.39972e+07 27.26316 239.04409 152.01686 1.00000 None parabolic box sum 2949 3964 2.59857 8.90139 39.87187 29AspHba 31AlaH 29AspCb 1.29877e+06 2.48261e+07 37.14979 49.95502 123.41622 1.00000 None parabolic box sum 2950 3965 2.83507 8.90422 39.72064 51AspHba 48SerH 51AspCb 3.68010e+06 6.99062e+07 34.13916 60.66027 135.39972 1.00000 None parabolic box sum 2951 3966 2.99124 8.90226 39.78712 51AspHbb 48SerH 51AspCb 4.07648e+06 8.17146e+07 49.46470 118.59552 136.34562 1.00000 None parabolic box sum 2952 3967 2.96505 8.80798 39.39217 64AspHbb 64AspH 64AspCb 1.51058e+07 2.93360e+08 41.24999 84.04086 135.64651 1.00000 None parabolic box sum 2953 3968 2.75968 8.80735 39.37429 64AspHba 64AspH 64AspCb 1.47026e+07 2.73238e+08 35.40635 84.57987 134.13116 1.00000 None parabolic box sum 2954 3969 2.75545 8.73579 39.35734 64AspHba 65HisH 64AspCb 3.35082e+06 8.22819e+07 38.86044 107.36829 188.68331 1.00000 None None box sum 2955 3970 2.94924 6.89943 39.71673 29AspHbb 30GlnHe2a 29AspCb 1.33011e+06 2.20980e+07 27.41873 49.14676 191.99119 1.00000 None parabolic box sum 2956 3971 2.59647 6.91660 39.97269 29AspHba 30GlnHe2a 29AspCb 9.81773e+05 1.48957e+07 63.92181 49.19673 141.38421 1.00000 None parabolic box sum 2957 3972 2.96804 4.35948 39.76353 29AspHbb 26LeuHa 29AspCb 2.61074e+07 5.02849e+08 38.74660 55.45501 152.04549 1.00000 None parabolic box sum 2958 3973 2.60284 4.35694 39.85314 29AspHba 26LeuHa 29AspCb 2.68742e+07 4.93837e+08 36.06200 51.30300 136.53242 1.00000 None parabolic box sum 2959 3974 2.96408 4.18692 39.38694 64AspHbb 61GluHa 64AspCb 1.15004e+07 2.20085e+08 42.74189 53.20222 132.90944 1.00000 None parabolic box sum 2960 3975 2.76124 4.18818 39.37731 64AspHba 61GluHa 64AspCb 1.13665e+07 2.04863e+08 34.04915 51.70952 135.59543 1.00000 None parabolic box sum 2961 3976 2.99319 4.53762 39.71609 51AspHbb 51AspHa 51AspCb 8.25558e+06 1.58235e+08 40.98952 49.91819 143.67062 1.00000 None parabolic box sum 2962 3977 2.83300 4.54010 39.73740 51AspHba 51AspHa 51AspCb 9.48728e+06 1.82814e+08 39.73067 50.44257 144.68786 1.00000 None parabolic box sum 2963 3978 2.76003 4.39663 39.36820 64AspHba 64AspHa 64AspCb 1.22772e+07 2.30813e+08 38.19704 51.92691 137.28579 1.00000 None parabolic box sum 2964 3979 2.97224 4.03359 39.73270 51AspHbb 48SerHba 51AspCb 2.11788e+06 4.36658e+07 44.91806 180.41494 151.06876 1.00000 None parabolic box sum 2965 3980 2.95104 3.64855 39.30525 64AspHbb 63ArgHa 64AspCb 8.43540e+05 1.47148e+07 31.63397 49.85887 137.25194 1.00000 None parabolic box sum 2966 3981 2.76527 3.63444 39.47091 64AspHba 65HisHbb 64AspCb 9.34648e+05 1.65717e+07 29.62768 60.37509 168.25784 1.00000 None parabolic box sum 2967 3982 2.83513 9.07923 39.83779 54PheHbb 59AlaH 54PheCb 9.45331e+05 1.53011e+07 28.71871 45.27166 115.91018 1.00000 None parabolic box sum 2968 3983 2.67095 9.07768 39.90558 54PheHba 59AlaH 54PheCb 1.60745e+06 3.06826e+07 34.56116 48.04136 130.35085 1.00000 None parabolic box sum 2969 3984 2.99416 8.09002 39.73812 51AspHbb 51AspH 51AspCb 9.53217e+06 1.86352e+08 45.18569 49.55159 144.52872 1.00000 None parabolic box sum 2970 3985 2.83609 8.13630 39.90460 54PheHbb (55Asp/54Phe)H 54PheCb 1.66997e+07 3.36699e+08 40.92336 87.29134 135.41408 1.00000 None parabolic box sum 2971 3987 2.97296 7.79295 39.66559 51AspHbb 53GlyH 51AspCb 1.13793e+06 2.13942e+07 35.30681 137.67319 145.42717 1.00000 None parabolic box sum 2972 3988 2.97567 7.65908 39.51980 64AspHbb 63ArgH 64AspCb 1.57478e+06 3.07161e+07 40.50612 61.48267 140.34143 1.00000 None parabolic box sum 2973 3989 2.83714 7.77175 39.83871 54PheHbb 53GlyH 54PheCb 1.68579e+06 3.20243e+07 41.96346 47.32905 137.02313 1.00000 None parabolic box sum 2974 3990 2.66841 7.77711 40.02739 54PheHba 53GlyH 54PheCb 1.16945e+06 2.09961e+07 38.16187 60.46278 143.85318 1.00000 None parabolic box sum 2975 3991 2.84058 6.92004 39.94761 54PheHbb 49PheHd* 54PheCb 1.19783e+06 2.41242e+07 41.92293 83.80863 125.01031 1.00000 None parabolic box sum 2976 3992 2.65796 6.92233 39.89117 54PheHba 49PheHd* 54PheCb 1.23447e+06 2.05316e+07 31.01766 87.15537 141.16251 1.00000 None parabolic box sum 2977 3993 2.83446 2.99559 39.71281 51AspHba 51AspHbb 51AspCb 4.98523e+07 9.68620e+08 83.61280 56.40980 152.28428 1.00000 None parabolic box sum 2978 3994 2.75961 2.96800 39.39339 64AspHba 64AspHbb 64AspCb 7.11934e+07 1.34104e+09 39.07323 56.25572 133.75742 1.00000 None parabolic box sum 2979 3995 2.60375 1.99848 39.88035 29AspHba 30Gln(Hga/Hbb/Hba) 29AspCb 3.08604e+06 5.74731e+07 34.15942 68.14559 139.09161 1.00000 None parabolic box sum 2980 3996 2.83553 2.33433 39.80155 51AspHba 47GluHga 51AspCb 3.98973e+06 8.15906e+07 36.53049 99.31002 146.13989 1.00000 None parabolic box sum 2981 3997 2.83614 2.06340 39.75412 51AspHba 47GluHbb 51AspCb 3.51533e+06 6.49463e+07 37.88173 61.35217 145.92756 1.00000 None parabolic box sum 2982 3998 2.83523 1.86233 39.73479 51AspHba 50LysHba 51AspCb 3.11465e+06 6.18320e+07 35.33065 98.11036 136.84812 1.00000 None parabolic box sum 2983 4000 2.96708 1.73267 39.81058 29AspHbb 26LeuHba 29AspCb 1.93120e+06 3.62024e+07 32.60851 287.52612 162.46694 1.00000 None parabolic box sum 2984 4001 2.97427 1.52286 39.85334 29AspHbb 32AlaHb* 29AspCb 2.84589e+06 5.61591e+07 41.06283 407.08619 162.18539 1.00000 None parabolic box sum 2985 4002 2.98520 2.37115 39.67966 51AspHbb 47GluHgb 51AspCb 3.22331e+06 6.55991e+07 45.59040 122.20386 140.70882 1.00000 None parabolic box sum 2986 4003 2.99028 2.31698 39.73649 51AspHbb 47GluHga 51AspCb 3.18314e+06 6.72162e+07 49.57795 112.39995 141.55136 1.00000 None parabolic box sum 2987 4004 2.97857 2.05615 39.69422 51AspHbb 47GluHbb 51AspCb 5.02819e+06 1.04856e+08 48.79713 121.87139 146.92061 1.00000 None parabolic box sum 2988 4005 2.98970 1.86651 39.70975 51AspHbb 50LysHba 51AspCb 2.51468e+06 5.00904e+07 48.33102 213.23771 141.28326 1.00000 None parabolic box sum 2989 4006 2.96667 2.18403 39.38726 64AspHbb 61GluHga 64AspCb 2.06244e+06 4.01423e+07 39.78550 389.58305 137.35773 1.00000 None parabolic box sum 2990 4008 2.75811 2.17768 39.38235 64AspHba 61GluHga 64AspCb 1.65216e+06 2.81946e+07 35.15542 73.92290 120.20220 1.00000 None parabolic box sum 2991 4009 2.76435 2.05973 39.38504 64AspHba 61GluHba 64AspCb 1.67229e+06 3.20653e+07 91.06100 49.88077 147.54553 1.00000 None parabolic box sum 2992 4011 2.66906 1.81386 39.93394 54PheHba 62LeuHbb 54PheCb 9.96626e+05 1.90150e+07 58.30944 90.91401 137.08993 1.00000 None parabolic box sum 2993 4013 2.60390 1.73852 39.88304 29AspHba 26LeuHba 29AspCb 1.36771e+06 2.65064e+07 36.66043 241.35103 120.47060 1.00000 None parabolic box sum 2994 4014 2.60272 1.52324 39.84213 29AspHba 32AlaHb* 29AspCb 3.50603e+06 6.47224e+07 32.62222 66.06400 141.76732 1.00000 None parabolic box sum 2995 4015 2.96585 1.29022 39.80252 29AspHbb 40ThrHg2* 29AspCb 2.41405e+06 4.45011e+07 32.39393 49.74499 158.93433 1.00000 None parabolic box sum 2996 4016 2.60157 1.29045 39.83021 29AspHba 40ThrHg2* 29AspCb 2.91338e+06 4.90201e+07 32.81236 45.00171 130.54717 1.00000 None parabolic box sum 2997 4017 2.59707 0.92392 39.83365 29AspHba 26LeuHdb* 29AspCb 2.63737e+06 4.89003e+07 37.23741 51.31614 136.39383 1.00000 None parabolic box sum 2998 4020 2.83255 0.77129 39.79471 51AspHba 52LeuHda* 51AspCb 1.11820e+06 1.95121e+07 26.33333 63.68619 147.54794 1.00000 None parabolic box sum 2999 4021 2.97192 0.92514 39.93286 29AspHbb 26LeuHdb* 29AspCb 2.74136e+06 5.75657e+07 35.06720 76.80120 178.08943 1.00000 None parabolic box sum 3000 4022 2.98206 0.77791 39.76655 51AspHbb 52LeuHda* 51AspCb 2.19011e+06 4.16736e+07 33.87451 63.54126 161.29071 1.00000 None parabolic box sum 3001 4023 2.98855 0.98700 39.70578 51AspHbb 52LeuHdb* 51AspCb 1.80640e+06 3.79665e+07 46.32711 104.07162 141.14075 1.00000 None parabolic box sum 3002 4024 2.67932 0.11043 39.84200 54PheHba 35LeuHda* 54PheCb 9.16316e+05 1.41470e+07 33.71835 121.84949 172.19047 1.00000 None parabolic box sum 3003 4025 2.83200 0.11037 39.82278 54PheHbb 35LeuHda* 54PheCb 9.17499e+05 1.68309e+07 27.86815 120.56065 129.73924 1.00000 None None box sum 3004 4027 2.72876 4.44735 38.70741 73AsnHbb 72LeuHa 73AsnCb 3.78639e+06 7.87070e+07 52.91760 51.98385 250.27407 1.00000 None parabolic box sum 3005 4029 2.28088 7.60493 37.05771 18GluHga 18GluH 18GluCg 1.09009e+07 2.11257e+08 78.92609 52.18034 144.73486 1.00000 None None box sum 3006 4030 2.30238 8.23054 36.75857 47GluHga 49PheH 47GluCg 1.43515e+06 2.65990e+07 31.06892 118.90360 132.76315 1.00000 None parabolic box sum 3007 4031 2.39033 8.30811 36.74587 47GluHgb 44AspH 47GluCg 1.44942e+06 2.66530e+07 35.73179 102.21609 136.07994 1.00000 None parabolic box sum 3008 4032 2.38243 8.21608 36.67063 47GluHgb 49PheH 47GluCg 1.50633e+06 2.47609e+07 35.90107 106.02500 137.61706 1.00000 None parabolic box sum 3009 4033 2.38761 7.52223 36.73818 47GluHgb 47GluH 47GluCg 4.53758e+06 8.83648e+07 86.91311 103.47398 137.43042 1.00000 None parabolic box sum 3010 4034 2.38903 1.94430 36.72907 47GluHgb 47GluHba 47GluCg 2.07732e+07 3.63988e+08 30.33042 61.78099 133.51380 1.00000 None parabolic box sum 3011 4035 2.30281 1.94429 36.71020 47GluHga 47GluHba 47GluCg 1.83182e+07 3.52468e+08 33.06627 163.20883 131.94676 1.00000 None parabolic box sum 3012 4037 2.39017 0.77252 36.74881 47GluHgb 52LeuHda* 47GluCg 3.07115e+06 5.94546e+07 38.45513 112.89765 127.57812 1.00000 None parabolic box sum 3013 4038 2.30702 0.77972 36.63331 47GluHga 52LeuHda* 47GluCg 4.01178e+06 7.43143e+07 31.92961 111.88075 137.73358 1.00000 None parabolic box sum 3014 4039 2.63476 7.76304 35.47864 67GlnHga 72LeuH 67GlnCg 8.25719e+05 1.26452e+07 24.40214 52.34667 154.24122 1.00000 None parabolic box sum 3015 4040 2.86325 4.74869 35.64524 67GlnHgb 73AsnHa 67GlnCg 8.76710e+05 1.54344e+07 37.08243 50.34144 188.45858 1.00000 None parabolic box sum 3016 4041 2.63966 4.75916 35.55464 67GlnHga 73AsnHa 67GlnCg 1.10071e+06 1.99188e+07 34.06823 49.88077 146.12538 1.00000 None parabolic box sum 3017 4047 2.86325 2.03688 35.64524 67GlnHgb 66LeuHbb 67GlnCg 3.29817e+06 6.22648e+07 42.03796 249.18166 132.05058 1.00000 None parabolic box sum 3018 4048 2.62900 2.04153 35.59066 67GlnHga 66LeuHbb 67GlnCg 1.11920e+06 2.00017e+07 39.97505 99.30166 111.42895 1.00000 None parabolic box sum 3019 4049 2.63465 1.36653 35.59670 67GlnHga 74LeuHba 67GlnCg 9.98606e+05 1.78201e+07 38.59222 240.45199 132.36145 1.00000 None parabolic box sum 3020 4051 2.86636 2.46500 34.95380 19GlnHgb 19GlnHbb 19GlnCg 1.03309e+07 2.05001e+08 41.08667 71.86720 142.30035 1.00000 None parabolic box sum 3021 4052 2.86467 0.89153 34.91883 19GlnHgb 14LeuHdb* 19GlnCg 6.71565e+06 1.35154e+08 38.25903 131.33089 165.02084 1.00000 None None box sum 3022 4053 2.11307 6.84875 35.83758 90GluHga 86HisHd2 90GluCg 1.06224e+06 1.80873e+07 28.31578 52.44213 137.16549 1.00000 None parabolic box sum 3023 4054 2.26414 7.03633 36.11076 41GluHga 37TyrHd* 41GluCg 1.21037e+06 2.08116e+07 28.38612 49.65222 127.34554 1.00000 None parabolic box sum 3024 4055 2.26006 4.48443 36.06079 41GluHga (40Thr/42Ser)H* 41GluCg 2.21729e+06 3.89203e+07 28.46897 51.98664 147.19385 1.00000 None parabolic box sum 3025 4056 2.81705 1.76403 33.80728 30GlnHgb 26LeuHba 30GlnCg 1.08174e+06 1.82153e+07 27.44675 436.61736 318.02418 1.00000 None parabolic box sum 3026 4057 2.82363 1.28707 33.70594 30GlnHgb {*}(Hg2*/Hg2*/Hg) 30GlnCg 1.04893e+06 1.63989e+07 22.76182 41.32390 151.00906 1.00000 None parabolic box sum 3027 4059 1.99121 1.29601 33.59074 30GlnHga 62LeuHg 30GlnCg 1.37722e+06 2.18238e+07 27.44377 40.14096 180.44928 1.00000 None parabolic box sum 3028 4061 2.87056 4.21481 31.12726 86HisHbb 87AlaHa 86HisCb 8.64013e+05 1.43768e+07 32.87494 50.22637 141.99960 1.00000 None parabolic box sum 3029 4062 2.70463 3.11492 30.74949 86HisHba 24ArgHdb 86HisCb 1.25738e+06 2.10732e+07 31.38840 100.90983 147.99301 1.00000 None parabolic box sum 3030 4064 2.38508 2.87565 30.64340 18GluHbb 19GlnHgb 18GluCb 1.84661e+06 3.62525e+07 44.59143 73.44272 138.05669 1.00000 None parabolic box sum 3031 4065 3.11444 0.80101 30.44114 82HisHbb 78LeuHda* 82HisCb 9.66010e+05 1.76321e+07 38.43367 123.57831 127.37410 1.00000 None parabolic box sum 3032 4066 3.20939 1.85238 28.82496 65HisHba 62LeuHbb 65HisCb 1.86455e+06 3.59703e+07 34.53135 217.74369 162.84309 1.00000 None parabolic box sum 3033 4067 3.19660 1.03271 28.69290 65HisHba 66LeuHdb* 65HisCb 9.15950e+05 1.52223e+07 35.31694 44.79825 158.38060 1.00000 None parabolic box sum 3034 4068 3.20528 0.78128 28.82496 65HisHba 66LeuHda* 65HisCb 2.18411e+06 4.64198e+07 42.26744 140.53636 146.61503 1.00000 None None box sum 3035 4071 1.33273 4.22547 26.07048 88ValHgb* 87AlaHa 88ValCgb 1.63990e+06 2.13391e+07 23.77331 165.34336 141.21223 1.00000 None parabolic box sum 3036 4072 0.23528 4.31950 26.75346 62LeuHda* 49PheHa 62LeuCda 9.41860e+05 1.37492e+07 19.79828 232.53775 127.41672 1.00000 None parabolic box sum 3037 4073 0.81466 8.55141 27.58115 78LeuHda* 88ValH 78LeuCda 1.21611e+06 1.52851e+07 19.82212 45.92733 118.34665 1.00000 None parabolic box sum 3038 4074 0.82794 6.68276 27.33970 78LeuHda* 82HisHd2 78LeuCda 1.45071e+06 2.49358e+07 27.69411 100.31697 167.04806 1.00000 None parabolic box sum 3039 4075 0.81566 7.05250 27.32351 78LeuHda* 49PheHe* 78LeuCda 1.47142e+06 2.52758e+07 25.53463 65.55874 135.31191 1.00000 None parabolic box sum 3040 4078 0.62796 2.26436 25.96926 35LeuHdb* 34ValHb 35LeuCdb 5.22534e+06 8.72360e+07 22.75229 100.79954 122.99564 1.00000 None None box sum 3041 4080 0.73271 3.42907 25.91663 92LeuHda* 88ValHa 92LeuCda 3.72346e+06 9.27659e+07 50.84157 55.76319 285.87712 1.00000 None None box sum 3042 4081 0.77088 9.28062 25.80506 92LeuHda* 74LeuH 92LeuCda 1.23797e+06 1.60808e+07 56.50640 51.91223 115.51362 1.00000 None parabolic box sum 3043 4083 0.81405 9.17871 25.65032 93LeuHda* 19GlnH None 1.66493e+06 2.48382e+07 22.43400 43.51502 131.92213 1.00000 None parabolic box sum 3044 4085 0.78941 6.63346 26.04201 74LeuHda* 95GlnHe2b 74LeuCda 1.38691e+06 2.45520e+07 38.88905 50.92454 117.23164 1.00000 None parabolic box sum 3045 4086 0.89944 7.69779 26.16958 14LeuHdb* 21AlaH 14LeuCdb 3.52174e+06 4.95414e+07 17.29250 113.21319 191.89824 1.00000 None None box sum 3046 4087 0.89958 3.33372 26.07369 43LeuHdb* 37TyrHbb 43LeuCdb 1.48008e+06 2.10486e+07 21.55244 64.42239 125.68812 1.00000 None parabolic box sum 3047 4088 0.89826 2.95033 26.16958 14LeuHdb* 10LysHea 14LeuCdb 4.52733e+06 6.94289e+07 16.68036 112.09177 139.25211 1.00000 None None box sum 3048 4089 0.89708 2.49904 26.16958 14LeuHdb* 19GlnHbb 14LeuCdb 2.49688e+06 4.59708e+07 20.59937 692.78156 146.84414 1.00000 None None box sum 3049 4092 0.85179 1.55869 25.60674 7LeuHda* 6LeuHg 7LeuCda 5.40193e+07 1.19493e+09 81.44617 96.48626 145.00704 1.00000 None None box sum 3050 4095 0.75517 8.09952 25.31904 52LeuHda* 51AspH 52LeuCda 1.58420e+06 2.80511e+07 24.32108 190.70500 281.21786 1.00000 None parabolic box sum 3051 4096 0.75660 6.59165 25.18932 52LeuHda* 49PheHz 52LeuCda 9.00422e+05 1.25153e+07 19.46568 39.76410 374.22528 1.00000 None parabolic box sum 3052 4099 1.05248 8.43524 24.57449 60LeuHdb* 62LeuH 60LeuCdb 1.34408e+06 1.65909e+07 19.84358 76.32231 132.37279 1.00000 None parabolic box sum 3053 4100 1.06180 3.25630 24.58725 60LeuHdb* 55AspHbb 60LeuCdb 2.52356e+06 3.53060e+07 21.88623 43.27608 131.67367 1.00000 None parabolic box sum 3054 4101 0.83721 2.64110 24.32201 43LeuHda* 44AspHba 43LeuCda 1.47312e+06 1.90181e+07 27.29297 32.40470 111.14725 1.00000 None parabolic box sum 3055 4103 1.24901 9.08194 23.64566 58ThrHg2* 59AlaH 58ThrCg2 3.44387e+06 8.89382e+07 29.03283 118.53112 138.32781 1.00000 None None box sum 3056 4105 1.24846 2.68723 23.67602 58ThrHg2* 54PheHba 58ThrCg2 1.48396e+06 2.08383e+07 23.82517 37.69466 136.15581 1.00000 None parabolic box sum 3057 4107 1.00082 8.31308 23.65829 60LeuHda* 57LeuH 60LeuCda 1.35708e+06 3.84083e+07 29.71709 112.30588 192.18659 1.00000 None None box sum 3058 4108 0.99446 8.09412 23.11833 52LeuHdb* 51AspH 52LeuCdb 2.76012e+06 3.72273e+07 17.97915 43.67304 138.59833 1.00000 None parabolic box sum 3059 4109 0.99681 7.52558 23.16748 52LeuHdb* 47GluH 52LeuCdb 2.17422e+06 2.83283e+07 19.16468 136.95551 151.63307 1.00000 None parabolic box sum 3060 4112 0.92566 2.64451 22.96479 74LeuHdb* 67GlnHga 74LeuCdb 3.89665e+06 5.89005e+07 27.07601 42.00037 135.18466 1.00000 None parabolic box sum 3061 4115 0.90025 6.90892 23.17412 62LeuHdb* 54PheHz 62LeuCdb 2.97093e+06 5.27209e+07 29.36840 339.67799 144.79244 1.00000 None parabolic box sum 3062 4117 0.84786 6.40464 22.84373 72LeuHda* 95GlnHe2a 72LeuCda 9.35802e+05 1.27812e+07 23.24581 34.32702 152.20886 1.00000 None parabolic box sum 3063 4118 0.85274 4.15930 22.94174 34ValHga* {*}H* 34ValCga 3.02315e+07 5.96633e+08 72.86608 132.89606 142.39072 1.00000 None parabolic box sum 3064 4120 0.86708 0.09251 23.10772 34ValHga* 35LeuHda* 34ValCga 8.62419e+06 1.48965e+08 36.32665 43.49387 133.99348 1.00000 None parabolic box sum 3065 4121 0.85162 -0.12445 23.00568 34ValHga* 79IleHg2* 34ValCga 1.93736e+06 2.40993e+07 66.49435 23.06664 175.92861 1.00000 None parabolic box sum 3066 4122 0.77776 6.88346 23.40485 28LeuHda* 37TyrHe* 28LeuCda 2.16446e+06 3.54086e+07 23.61238 152.47441 131.92696 1.00000 None parabolic box sum 3067 4124 0.99718 8.90433 22.91968 52LeuHdb* 31AlaH 52LeuCdb 1.83532e+06 2.08468e+07 18.22710 35.81644 139.78831 1.00000 None parabolic box sum 3068 4134 1.13709 7.35580 21.32078 77ThrHg2* 78LeuH 77ThrCg2 4.75311e+06 7.87724e+07 25.34330 264.04440 137.72149 1.00000 None parabolic box sum 3069 4135 1.12937 7.58542 21.27219 77ThrHg2* 80PheH 77ThrCg2 2.34317e+06 3.63524e+07 21.21210 82.30786 131.79155 1.00000 None parabolic box sum 3070 4137 1.15425 8.77474 21.09178 27ValHgb* 32AlaH 27ValCgb 1.14453e+06 1.53210e+07 23.36025 34.31657 121.52245 1.00000 None parabolic box sum 3071 4138 1.15311 9.29496 20.96062 27ValHgb* 29AspH 27ValCgb 1.03043e+06 1.47909e+07 24.91295 37.67271 117.22589 1.00000 None parabolic box sum 3072 4139 1.13737 7.24762 21.34448 77ThrHg2* 80PheHe* 77ThrCg2 3.50963e+06 5.42431e+07 21.88087 272.71195 130.89869 1.00000 None parabolic box sum 3073 4140 1.15511 6.90505 21.06535 27ValHgb* 49PheHd* 27ValCgb 2.81976e+06 4.50529e+07 24.41406 196.36286 121.85795 1.00000 None parabolic box sum 3074 4141 1.13378 3.23489 21.33852 77ThrHg2* 80PheHbb 77ThrCg2 2.90778e+06 4.34228e+07 22.93527 48.59869 129.66731 1.00000 None parabolic box sum 3075 4142 1.13162 2.89178 21.38935 77ThrHg2* 80PheHba 77ThrCg2 4.08210e+06 7.29793e+07 23.94199 62.46702 148.69545 1.00000 None parabolic box sum 3076 4143 1.15465 2.50367 20.98751 27ValHgb* 85ProHda 27ValCgb 1.21772e+06 1.68224e+07 20.00511 41.01970 155.87098 1.00000 None parabolic box sum 3077 4144 1.14728 -0.12682 21.06960 27ValHgb* 79IleHg2* 27ValCgb 1.48204e+06 2.36561e+07 25.91074 65.10085 126.61332 1.00000 None parabolic box sum 3078 4146 1.23574 3.58180 22.62147 23ThrHg2* 92LeuHa 23ThrCg2 2.45450e+06 3.38911e+07 24.81341 37.47368 105.44310 1.00000 None parabolic box sum 3079 4147 1.22904 3.42910 22.76420 23ThrHg2* 27ValHa 23ThrCg2 1.27636e+06 2.21808e+07 25.99299 55.26310 134.64998 1.00000 None parabolic box sum 3080 4148 1.22951 2.29063 22.75076 23ThrHg2* 27ValHb 23ThrCg2 3.43158e+06 6.15081e+07 25.96140 382.91465 143.83338 1.00000 None parabolic box sum 3081 4149 1.23436 2.09393 22.82983 23ThrHg2* 26LeuHbb 23ThrCg2 9.17404e+06 1.76337e+08 24.89388 273.97751 262.53942 1.00000 None parabolic box sum 3082 4150 1.23495 1.96731 22.66626 23ThrHg2* 92LeuHbb 23ThrCg2 2.35942e+07 3.95773e+08 24.65069 74.75107 140.35836 1.00000 None parabolic box sum 3083 4151 1.29203 1.98700 21.97841 40ThrHg2* 28LeuHbb 40ThrCg2 2.34201e+07 3.29877e+08 21.57331 78.54196 145.15635 1.00000 None parabolic box sum 3084 4154 1.23248 0.89755 22.67290 23ThrHg2* 92LeuHba 23ThrCg2 3.32000e+07 5.84376e+08 23.67973 159.69466 140.76640 1.00000 None None box sum 3085 4158 1.41952 0.83220 21.61672 15ThrHg2* 14LeuHda* 15ThrCg2 5.57545e+06 7.78441e+07 21.28601 74.23585 122.04414 1.00000 None parabolic box sum 3086 4160 1.30014 3.20042 21.67151 17ThrHg2* 20ArgHda 17ThrCg2 2.47420e+06 2.88210e+07 20.05160 31.96553 118.22666 1.00000 None parabolic box sum 3087 4161 1.30400 2.45642 21.49866 17ThrHg2* 19GlnHbb 17ThrCg2 1.68220e+06 1.26709e+07 21.33012 139.39086 131.91124 1.00000 None parabolic box sum 3088 4163 1.14905 3.99668 21.06695 27ValHgb* 28LeuHa 27ValCgb 9.29811e+06 1.79910e+08 28.74255 137.78348 142.14710 1.00000 None None box sum 3089 4164 0.89942 2.90162 17.74282 99IleHg2* 19GlnHgb 99IleCg2 1.65852e+06 1.64122e+07 19.65284 30.12881 121.49736 1.00000 None parabolic box sum 3090 4165 0.73109 7.16523 13.11859 96IleHd1* 19GlnHe2b 96IleCd1 1.45262e+06 1.75298e+07 18.34393 41.09256 142.05288 1.00000 None parabolic box sum 3091 4166 0.73171 6.81255 13.14695 96IleHd1* 19GlnHe2a 96IleCd1 1.08121e+06 1.64925e+07 24.91057 37.59373 118.69555 1.00000 None parabolic box sum 3092 4167 0.73820 2.16620 13.10941 96IleHd1* 92LeuHg 96IleCd1 1.51325e+06 2.24692e+07 27.10998 44.59717 116.44396 1.00000 None parabolic box sum 3093 4168 0.82227 4.48778 13.41443 99IleHd1* 97ProHa 99IleCd1 1.58045e+06 2.14984e+07 23.29826 31.29264 142.88476 1.00000 None parabolic box sum 3094 4169 0.82350 2.84016 13.35752 99IleHd1* 19GlnHgb 99IleCd1 1.22506e+06 1.77192e+07 25.59245 65.90235 119.02265 1.00000 None parabolic box sum 3095 4170 0.82760 1.72500 13.38329 99IleHd1* 14LeuHba 99IleCd1 3.38491e+06 5.24064e+07 22.37260 197.13888 127.29003 1.00000 None parabolic box sum 3096 4171 0.82855 1.62540 13.38157 99IleHd1* 96IleHg1b 99IleCd1 4.31458e+06 4.46380e+07 21.58999 25.77294 132.39158 1.00000 None parabolic box sum 3097 4172 0.08751 3.69973 20.38240 35LeuHda* 34ValHa 35LeuCda 1.40564e+06 1.98566e+07 19.20462 137.63855 137.02933 1.00000 None parabolic box sum 3098 4174 1.51825 2.79424 17.93096 32AlaHb* 30GlnHgb 32AlaCb 1.34075e+06 1.66150e+07 21.63053 155.23088 123.20540 1.00000 None parabolic box sum 3099 4176 1.40230 2.93718 19.05635 59AlaHb* 80PheHba 59AlaCb 1.59656e+06 1.61480e+07 18.35048 32.01450 124.35518 1.00000 None parabolic box sum 3100 4178 1.40832 8.95008 19.00687 59AlaHb* 58ThrH 59AlaCb 2.29490e+06 2.56072e+07 22.08114 129.93479 120.74807 1.00000 None parabolic box sum 3101 4179 1.48230 8.36552 19.18574 38AlaHb* 40ThrH 38AlaCb 1.83405e+06 2.69674e+07 21.28959 48.59670 135.77376 1.00000 None parabolic box sum 3102 4180 1.48082 8.20472 19.20382 38AlaHb* 37TyrH 38AlaCb 1.45105e+06 1.40836e+07 13.29541 44.30562 238.26443 1.00000 None parabolic box sum 3103 4182 1.47509 3.84888 19.22499 38AlaHb* 39SerHba 38AlaCb 7.02176e+06 9.02321e+07 72.34097 44.87469 143.23734 1.00000 None parabolic box sum 3104 4183 1.48001 3.32901 19.28594 38AlaHb* 37TyrHbb 38AlaCb 2.37883e+06 3.18541e+07 18.22531 60.24767 131.29737 1.00000 None parabolic box sum 3105 4184 1.53420 3.44165 19.72956 69AlaHb* 27ValHa 69AlaCb 1.34181e+06 1.65124e+07 20.85626 40.78678 122.65469 1.00000 None parabolic box sum 3106 4185 1.53409 3.19231 19.77253 69AlaHb* 65HisHba 69AlaCb 1.26093e+06 1.83140e+07 23.85318 74.38357 119.79294 1.00000 None parabolic box sum 3107 4186 1.53506 2.60740 19.74355 69AlaHb* 67GlnHga 69AlaCb 1.37278e+06 1.33541e+07 17.76457 35.99691 106.32296 1.00000 None parabolic box sum 3108 4187 1.16598 1.66858 41.83903 35LeuHba 31AlaHb* 35LeuCb 1.56156e+06 2.98550e+07 42.99104 53.05769 144.58116 1.00000 None parabolic box sum 3109 4188 1.37564 2.25102 41.98857 35LeuHbb 34ValHb 35LeuCb 1.51497e+06 2.61038e+07 50.96614 51.90501 142.08650 1.00000 None parabolic box sum 3110 4189 1.17347 2.23704 42.03461 35LeuHba 34ValHb 35LeuCb 9.56753e+05 1.73665e+07 34.01220 56.41817 141.55317 1.00000 None parabolic box sum 3111 4190 1.16800 7.35450 41.95559 35LeuHba 54PheHz 35LeuCb 1.45542e+06 2.72015e+07 58.11274 52.59284 144.73818 1.00000 None parabolic box sum 3112 4191 1.42240 6.83109 43.28554 43LeuHba 37TyrHe* 43LeuCb 8.94957e+05 1.48269e+07 29.86908 48.60765 121.07224 1.00000 None parabolic box sum 3113 4192 1.80656 7.02676 43.20849 43LeuHbb 37TyrHd* 43LeuCb 1.15862e+06 2.30657e+07 39.20913 63.97705 135.95096 1.00000 None parabolic box sum 3114 4193 1.42143 7.03799 43.24395 43LeuHba 37TyrHd* 43LeuCb 1.08810e+06 1.54019e+07 25.75040 51.67587 127.83466 1.00000 None parabolic box sum 3115 4195 4.35809 1.29155 57.28357 29AspHa 40ThrHg2* 29AspCa 2.93287e+07 5.01601e+08 29.44171 46.53861 138.85132 1.00000 None parabolic box sum 3116 4196 4.35902 1.52873 57.29289 29AspHa 32AlaHb* 29AspCa 2.55520e+07 4.41634e+08 30.04253 48.49119 137.97478 1.00000 None parabolic box sum 3117 4197 4.36220 1.66638 57.27511 29AspHa 31AlaHb* 29AspCa 2.71403e+06 4.21116e+07 26.52645 43.17534 395.02978 1.00000 None parabolic box sum 3118 4198 4.36302 0.90506 57.31691 29AspHa {*}Hdb* 29AspCa 3.51403e+06 4.94078e+07 25.79689 45.29196 388.86590 1.00000 None parabolic box sum 3119 4199 4.35779 1.98741 57.35062 29AspHa 28LeuHbb 29AspCa 3.33477e+06 6.40521e+07 33.87034 66.02857 692.06826 1.00000 None parabolic box sum 3120 4200 4.35844 2.60540 57.29350 29AspHa 29AspHba 29AspCa 2.86195e+07 5.12628e+08 29.23727 55.05128 152.49570 1.00000 None parabolic box sum 3121 4201 4.35906 2.96904 57.34807 29AspHa 29AspHbb 29AspCa 1.90521e+07 3.51669e+08 29.18601 56.86291 263.15692 1.00000 None parabolic box sum 3122 4203 4.35916 7.68386 57.27528 29AspHa 33SerH 29AspCa 3.27456e+06 5.60459e+07 31.58987 45.34552 137.58880 1.00000 None parabolic box sum 3123 4204 4.35872 8.30428 57.27719 29AspHa 30GlnH 29AspCa 6.81093e+06 1.20235e+08 28.09167 56.07376 160.54324 1.00000 None parabolic box sum 3124 4206 1.65216 7.62095 26.87917 96IleHg1b 94GluH 96IleCg1 2.10632e+06 4.02176e+07 53.81703 51.76765 144.30671 1.00000 None parabolic box sum 3125 4207 1.65402 7.16039 26.88829 26LeuHg 30GlnHe2b 26LeuCg 1.82820e+06 3.07819e+07 41.51583 36.61167 150.61326 1.00000 None parabolic box sum 3126 4208 1.65839 2.26819 26.83302 96IleHg1b 95GlnHgb 96IleCg1 4.60896e+06 9.26064e+07 45.77756 121.18536 148.33214 1.00000 None parabolic box sum 3127 4209 1.65842 1.91873 26.81091 96IleHg1b 96IleHb 96IleCg1 3.33430e+07 6.60753e+08 42.43314 62.09036 136.67327 1.00000 None parabolic box sum 3128 4211 0.89540 9.29644 26.05386 43LeuHdb* 29AspH 43LeuCdb 1.35861e+06 1.72027e+07 17.45224 41.70563 279.26983 1.00000 None parabolic box sum 3129 4212 0.89645 8.91231 26.05386 43LeuHdb* 31AlaH 43LeuCdb 4.95695e+06 7.58729e+07 23.24224 50.25245 143.80830 1.00000 None None box sum 3130 4213 0.90048 1.31404 25.94204 43LeuHdb* 40ThrHg2* 43LeuCdb 1.84412e+07 2.69434e+08 129.44579 29.70358 221.56515 1.00000 None parabolic box sum 3131 4214 0.90177 1.42916 26.00093 43LeuHdb* 43LeuHba 43LeuCdb 2.44352e+07 3.58465e+08 22.40539 421.81256 143.62664 1.00000 None parabolic box sum 3132 4215 0.89738 0.78042 25.92741 43LeuHdb* 28LeuHda* 43LeuCdb 1.20427e+08 1.83859e+09 135.66613 134.76861 276.39659 1.00000 None parabolic box sum 3133 4216 0.90032 0.11403 25.96309 43LeuHdb* 35LeuHda* 43LeuCdb 3.01297e+06 2.85352e+07 22.28916 22.47497 145.77023 1.00000 None parabolic box sum 3134 4218 4.48184 8.41412 58.59594 42SerHa 42SerH 42SerCa 5.49586e+06 1.02422e+08 27.85504 61.41050 183.26494 1.00000 None None box sum 3135 4219 4.47536 1.65539 58.58417 42SerHa 43LeuHg 42SerCa 2.54820e+06 4.10491e+07 24.19651 40.70436 142.41792 1.00000 None parabolic box sum 3136 4220 4.47956 1.41004 58.59594 42SerHa 43LeuHba 42SerCa 1.61156e+06 2.99073e+07 32.25565 145.93144 286.27367 1.00000 None parabolic box sum 3137 4221 4.50187 0.11992 58.47296 80PheHa 79IleHg1a 80PheCa 1.35926e+06 2.29259e+07 27.69113 52.54327 136.85039 1.00000 None parabolic box sum 3138 4222 4.35944 9.29989 57.28791 29AspHa 29AspH 29AspCa 2.18429e+07 3.77151e+08 29.67179 48.84256 142.55031 1.00000 None parabolic box sum 3139 4224 4.39248 3.69205 57.45371 75SerHa 75SerHba 75SerCa 1.38520e+07 2.35778e+08 29.15978 49.90266 139.12365 1.00000 None parabolic box sum 3140 4225 4.39480 9.25514 57.31864 75SerHa 76SerH 75SerCa 3.03311e+06 8.00420e+07 53.54881 74.72589 150.07766 1.00000 None None box sum 3141 4226 4.38337 4.88166 57.44580 75SerHa 74LeuHa 75SerCa 1.07461e+06 1.71242e+07 26.17180 46.63496 119.23015 1.00000 None parabolic box sum 3142 4227 1.94259 5.09264 26.95146 83ProHga 83ProHa 83ProCg 1.51127e+06 2.66766e+07 36.91196 51.24188 139.23004 1.00000 None parabolic box sum 3143 4228 2.06012 4.97497 26.90825 83ProHgb 82HisHa 83ProCg 9.75619e+05 1.63315e+07 28.24724 127.58918 127.97800 1.00000 None parabolic box sum 3144 4229 1.94806 4.97167 26.92950 83ProHga 82HisHa 83ProCg 9.85431e+05 1.82470e+07 35.64358 57.67297 119.43386 1.00000 None parabolic box sum 3145 4230 2.04225 6.89998 26.92950 83ProHgb 86HisHd2 83ProCg 1.24219e+06 2.45019e+07 67.34908 42.97407 193.59843 1.00000 None parabolic box sum 3146 4231 1.96800 6.90781 26.84805 83ProHga 86HisHd2 83ProCg 1.48269e+06 2.40312e+07 27.38178 134.34158 135.49024 1.00000 None parabolic box sum 3147 4234 1.99655 4.47144 27.24801 97ProHga 97ProHa 97ProCg 7.17881e+06 1.34782e+08 73.23563 52.16939 139.35064 1.00000 None parabolic box sum 3148 4236 2.05350 3.42787 26.97098 83ProHgb 83ProHda 83ProCg 1.34816e+07 2.48112e+08 36.43692 52.46961 139.61421 1.00000 None parabolic box sum 3149 4237 1.95250 3.42804 26.90438 83ProHga 83ProHda 83ProCg 9.65400e+06 1.79663e+08 38.89501 54.27009 133.47844 1.00000 None parabolic box sum 3150 4239 2.06394 3.92253 27.29317 97ProHgb 97ProHdb 97ProCg 2.34234e+07 4.12805e+08 73.10033 52.98562 129.41462 1.00000 None parabolic box sum 3151 4240 1.99748 3.92201 27.26153 97ProHga 97ProHdb 97ProCg 2.32055e+07 4.33635e+08 73.37034 55.66126 135.63140 1.00000 None parabolic box sum 3152 4241 2.10250 4.13544 27.44413 30GlnHbb 30GlnHa 30GlnCb 1.21236e+07 2.43455e+08 90.01315 59.11292 144.29069 1.00000 None parabolic box sum 3153 4242 2.02581 4.13411 27.39020 30GlnHba 30GlnHa 30GlnCb 1.10857e+07 2.30400e+08 97.11802 61.75511 157.50316 1.00000 None parabolic box sum 3154 4243 2.06475 4.33561 27.31847 97ProHgb 96IleHa 97ProCg 4.93359e+06 8.52130e+07 59.21006 51.35436 123.81747 1.00000 None parabolic box sum 3155 4244 2.10297 2.82617 27.45980 30GlnHbb 30GlnHgb 30GlnCb 1.01901e+07 1.97148e+08 91.17782 54.95134 135.11333 1.00000 None parabolic box sum 3156 4245 2.02372 2.82660 27.43058 30GlnHba 30GlnHgb 30GlnCb 1.01054e+07 1.98615e+08 91.48717 56.74744 142.34357 1.00000 None parabolic box sum 3157 4251 2.05907 1.73928 27.00054 83ProHgb 87AlaHb* 83ProCg 7.38870e+06 1.31284e+08 28.46777 53.97027 146.17948 1.00000 None parabolic box sum 3158 4255 2.01801 0.89517 27.37415 97ProHga 96IleHg2* 97ProCg 1.56896e+07 3.21022e+08 94.19143 117.02299 142.78577 1.00000 None parabolic box sum 3159 4256 2.02141 0.78468 27.17456 97ProHga 99IleHd1* 97ProCg 1.24202e+07 2.80725e+08 88.11295 126.14127 227.85236 1.00000 None parabolic box sum 3160 4257 2.09771 0.89840 27.44150 97ProHgb (99Ile/96Ile)Hg2* 97ProCg 1.44291e+07 2.84531e+08 96.81702 56.72316 137.74083 1.00000 None parabolic box sum 3161 4258 2.06156 3.67458 27.18790 97ProHgb 97ProHda 97ProCg 3.05490e+07 5.72485e+08 71.02847 53.82534 150.91521 1.00000 None parabolic box sum 3162 4259 1.99788 3.67499 27.24745 97ProHga 97ProHda 97ProCg 2.35586e+07 4.57057e+08 80.78516 55.74089 136.25162 1.00000 None parabolic box sum 3163 4263 2.00757 4.32774 27.35936 97ProHga 96IleHa 97ProCg 2.95252e+06 5.23229e+07 109.73752 63.20561 129.93450 1.00000 None parabolic box sum 3164 4268 2.01953 7.18949 27.34056 30GlnHba 65HisHd2 30GlnCb 2.40636e+06 4.50144e+07 150.62511 49.71871 158.89293 1.00000 None parabolic box sum 3165 4269 2.10189 8.29798 27.45418 30GlnHbb 30GlnH 30GlnCb 9.93809e+06 1.85902e+08 91.28034 50.11001 129.72655 1.00000 None parabolic box sum 3166 4270 2.02135 8.29604 27.42612 30GlnHba 30GlnH 30GlnCb 9.51810e+06 1.79610e+08 93.12093 47.06856 137.75957 1.00000 None parabolic box sum 3167 4271 2.10674 8.90668 27.44026 30GlnHbb 31AlaH 30GlnCb 5.87520e+06 1.10212e+08 95.94381 48.69524 132.20080 1.00000 None parabolic box sum 3168 4272 2.02683 8.90668 27.43512 30GlnHba 31AlaH 30GlnCb 5.73745e+06 1.13710e+08 96.75026 49.19613 137.31254 1.00000 None parabolic box sum 3169 4273 2.10167 8.76997 27.44467 30GlnHbb 32AlaH 30GlnCb 1.32747e+06 2.63979e+07 87.29041 45.75483 164.52847 1.00000 None parabolic box sum 3170 4274 2.02646 8.77640 27.37185 30GlnHba 32AlaH 30GlnCb 1.84954e+06 3.67194e+07 38.93554 143.91973 249.46327 1.00000 None parabolic box sum 3171 4275 2.06242 8.52907 27.30214 97ProHgb 98GlyH 97ProCg 1.05507e+06 1.86241e+07 69.02635 50.44187 114.14682 1.00000 None parabolic box sum 3172 4278 4.28877 1.28416 62.31714 40ThrHa 40ThrHg2* 40ThrCa 7.69548e+06 2.09074e+08 67.15834 48.95664 213.12590 1.00000 None None box sum 3173 4279 4.28774 0.63007 62.32871 49PheHa 35LeuHdb* 49PheCa 1.51156e+06 2.72771e+07 37.57060 36.25412 152.57973 1.00000 None parabolic box sum 3174 4280 4.28877 2.82414 62.31714 49PheHa 54PheHbb 49PheCa 2.72953e+06 5.30428e+07 29.98173 186.12018 141.22674 1.00000 None None box sum 3175 4281 4.28804 4.61705 62.51232 49PheHa 48SerHa 49PheCa 1.55729e+06 2.27305e+07 23.17488 36.61565 146.70843 1.00000 None parabolic box sum 3176 4282 4.29170 6.80638 62.31714 40ThrHa 37TyrHe* 40ThrCa 1.14126e+06 3.10697e+07 25.99180 198.81832 177.14700 1.00000 None None box sum 3177 4283 4.28562 7.80269 62.23930 49PheHa 53GlyH 49PheCa 1.07967e+06 2.03951e+07 24.10471 45.46307 544.11333 1.00000 None parabolic box sum 3178 4284 4.29408 8.09859 62.19103 49PheHa 54PheH 49PheCa 1.85015e+06 3.33059e+07 43.93935 134.92947 135.07646 1.00000 None parabolic box sum 3179 4289 1.51630 4.03081 45.31563 74LeuHbb 75SerHbb 74LeuCb 1.03288e+06 1.51344e+07 28.07915 47.33095 122.51906 1.00000 None parabolic box sum 3180 4290 2.32033 8.25258 31.47497 88ValHb 87AlaH 88ValCb 1.35184e+06 2.50475e+07 45.75670 133.52127 167.19012 1.00000 None parabolic box sum 3181 4291 2.29812 4.33349 31.81311 97ProHbb 96IleHa 97ProCb 3.12840e+06 5.18147e+07 32.66752 34.87449 160.48475 1.00000 None parabolic box sum 3182 4293 1.99772 2.69478 32.03178 50LysHbb 49PheHbb 50LysCb 1.66605e+06 3.42069e+07 46.12267 64.93960 147.32669 1.00000 None parabolic box sum 3183 4294 2.00752 2.85165 32.07235 50LysHbb 51AspHba 50LysCb 2.43552e+06 4.04161e+07 36.78858 57.34190 113.13155 1.00000 None parabolic box sum 3184 4295 2.25195 0.62993 31.48234 34ValHb 35LeuHdb* 34ValCb 1.43948e+06 2.47466e+07 29.02031 760.88813 160.32078 1.00000 None parabolic box sum 3185 4296 2.31103 0.24911 31.46685 27ValHb 62LeuHda* 27ValCb 1.11161e+06 2.20246e+07 86.88152 50.70536 154.72393 1.00000 None parabolic box sum 3186 4297 2.32675 -0.15406 31.29199 88ValHb 79IleHg2* 88ValCb 1.00255e+06 1.43586e+07 20.54632 49.41333 133.20973 1.00000 None parabolic box sum 3187 4298 6.98099 1.01803 119.63642 46HisHd2 84ThrHg2* 46HisCd2 1.01849e+06 1.77222e+07 27.75162 120.42925 151.05334 1.00000 None parabolic box sum 3188 4299 6.98570 0.87442 119.70399 46HisHd2 28LeuHdb* 46HisCd2 9.74136e+05 1.51632e+07 25.07538 103.18571 121.23984 1.00000 None parabolic box sum 3189 4300 6.97955 0.78437 119.70500 46HisHd2 28LeuHda* 46HisCd2 9.06596e+05 1.33043e+07 20.25992 105.56512 144.44666 1.00000 None parabolic box sum 3190 4303 4.36502 8.76376 57.45815 29AspHa 32AlaH 29AspCa 7.61344e+06 1.57835e+08 41.46993 54.85927 202.86072 1.00000 None parabolic box sum 3191 4304 4.35483 8.91597 57.29777 29AspHa 31AlaH 29AspCa 1.88360e+06 2.46910e+07 23.54920 46.94851 438.17121 1.00000 None None box sum ; 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 H 3 . 10000 Hz . . . 4.9 . . 34299 2 2 . . H 1 H 1 . 6680 Hz . . . 4.8 . . 34299 2 3 . . C 13 C 1 aliased 5071 Hz . . . 32.279 . . 34299 2 stop_ save_