data_16234 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Relaxation data of the N-terminal domain of capsid protein from the Mason-Pfizer monkey virus ; _BMRB_accession_number 16234 _BMRB_flat_file_name bmr16234.str _Entry_type original _Submission_date 2009-03-31 _Accession_date 2009-03-31 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Macek Pavel . . 2 Kaderavek Pavel . . 3 Zidek Lukas . . 4 Sklenar Vladimir . . 5 Macek Pavel . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count heteronucl_NOE 1 T1_relaxation 1 T2_relaxation 1 stop_ loop_ _Data_type _Data_type_count "T1 relaxation values" 111 "T2 relaxation values" 111 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-16 update BMRB 'T1 and T2 units changed from s to s-1' 2009-09-09 update BMRB 'complete entry citation' 2009-06-17 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR structure of the N-terminal domain of capsid protein from the Mason-Pfizer monkey virus' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19527730 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Macek Pavel . . 2 Chmelik Josef . . 3 Krizova Ivana . . 4 Kaderavek Pavel . . 5 Padrta Petr . . 6 Zidek Lukas . . 7 Wildova Marcela . . 8 Hadravova Romana . . 9 Chaloupkova Radka . . 10 Pichova Iva . . 11 Ruml Tomas . . 12 Rumlova Michaela . . 13 Sklenar Vladimir . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 392 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 100 _Page_last 114 _Year 2009 _Details . loop_ _Keyword betaretroviruses 'capsid protein' M-PMV 'N-terminal domain' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'MPMV NTD CA' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'MPMV NTD CA' $MPMV_NTD_CA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_MPMV_NTD_CA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MPMV_NTD_CA _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 140 _Mol_residue_sequence ; PVTETVDGQGQAWRHHNGFD FAVIKELKTAASQYGATAPY TLAIVESVADNWLTPTDWNT LVRAVLSGGDHLLWKSEFFE NCRDTAKRNQQAGNGWDFDM LTGSGNYSSTDAQMQYDPGL FAQIQAAATKAWRKLPVKGD ; loop_ _Residue_seq_code _Residue_label 1 PRO 2 VAL 3 THR 4 GLU 5 THR 6 VAL 7 ASP 8 GLY 9 GLN 10 GLY 11 GLN 12 ALA 13 TRP 14 ARG 15 HIS 16 HIS 17 ASN 18 GLY 19 PHE 20 ASP 21 PHE 22 ALA 23 VAL 24 ILE 25 LYS 26 GLU 27 LEU 28 LYS 29 THR 30 ALA 31 ALA 32 SER 33 GLN 34 TYR 35 GLY 36 ALA 37 THR 38 ALA 39 PRO 40 TYR 41 THR 42 LEU 43 ALA 44 ILE 45 VAL 46 GLU 47 SER 48 VAL 49 ALA 50 ASP 51 ASN 52 TRP 53 LEU 54 THR 55 PRO 56 THR 57 ASP 58 TRP 59 ASN 60 THR 61 LEU 62 VAL 63 ARG 64 ALA 65 VAL 66 LEU 67 SER 68 GLY 69 GLY 70 ASP 71 HIS 72 LEU 73 LEU 74 TRP 75 LYS 76 SER 77 GLU 78 PHE 79 PHE 80 GLU 81 ASN 82 CYS 83 ARG 84 ASP 85 THR 86 ALA 87 LYS 88 ARG 89 ASN 90 GLN 91 GLN 92 ALA 93 GLY 94 ASN 95 GLY 96 TRP 97 ASP 98 PHE 99 ASP 100 MET 101 LEU 102 THR 103 GLY 104 SER 105 GLY 106 ASN 107 TYR 108 SER 109 SER 110 THR 111 ASP 112 ALA 113 GLN 114 MET 115 GLN 116 TYR 117 ASP 118 PRO 119 GLY 120 LEU 121 PHE 122 ALA 123 GLN 124 ILE 125 GLN 126 ALA 127 ALA 128 ALA 129 THR 130 LYS 131 ALA 132 TRP 133 ARG 134 LYS 135 LEU 136 PRO 137 VAL 138 LYS 139 GLY 140 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-05 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 15581 MPMV_NTD_CA 100.00 140 100.00 100.00 1.49e-98 PDB 2KGF "N-Terminal Domain Of Capsid Protein From The Mason-Pfizer Monkey Virus" 100.00 140 100.00 100.00 1.49e-98 PDB 4ARD "Structure Of The Immature Retroviral Capsid At 8a Resolution By Cryo-Electron Microscopy" 82.86 116 100.00 100.00 9.82e-79 DBJ BAD89356 "gag [Simian type D retrovirus -Tsukuba]" 100.00 659 97.14 98.57 3.40e-91 DBJ BAQ21760 "gag protein [Simian retrovirus 4]" 100.00 659 97.14 98.57 3.44e-91 DBJ BAQ21764 "gag protein [Simian retrovirus 4]" 100.00 659 97.14 98.57 3.44e-91 GB AAA47710 "gag polyprotein [Mason-Pfizer monkey virus]" 100.00 657 100.00 100.00 1.44e-93 GB AAA47730 "gag polyprotein [Simian retrovirus 1]" 100.00 658 98.57 99.29 1.36e-92 GB AAC82573 "Pr78 [Mason-Pfizer monkey virus]" 100.00 657 100.00 100.00 1.44e-93 GB AAC82574 "Pr95 [Mason-Pfizer monkey virus]" 100.00 911 100.00 100.00 1.22e-91 GB AAC82576 "RT-IN [Mason-Pfizer monkey virus]" 100.00 1771 100.00 100.00 1.63e-89 PIR FOLJSA "gag polyprotein - simian AIDS retrovirus SRV-1" 100.00 658 98.57 99.29 1.36e-92 REF NP_056891 "RT-IN [Mason-Pfizer monkey virus]" 100.00 1771 100.00 100.00 1.63e-89 REF NP_056892 "Pr95 [Mason-Pfizer monkey virus]" 100.00 911 100.00 100.00 1.22e-91 REF NP_056893 "Pr78 [Mason-Pfizer monkey virus]" 100.00 657 100.00 100.00 1.44e-93 REF NP_954560 "p27 [Mason-Pfizer monkey virus]" 100.00 228 100.00 100.00 3.92e-98 REF NP_954565 "RT-IN [Mason-Pfizer monkey virus]" 100.00 1771 100.00 100.00 1.63e-89 SP P04022 "RecName: Full=Gag polyprotein; AltName: Full=Core polyprotein; Contains: RecName: Full=Matrix protein p10; Contains: RecName: F" 100.00 658 98.57 99.29 1.36e-92 SP P07567 "RecName: Full=Gag polyprotein; AltName: Full=Core polyprotein; Contains: RecName: Full=Matrix protein p10; Contains: RecName: F" 100.00 657 100.00 100.00 1.44e-93 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $MPMV_NTD_CA 'Mason-Pfizer Monkey Virus' 11855 Viruses . Betaretrovirus 'Mason-Pfizer monkey virus' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $MPMV_NTD_CA 'recombinant technology' . Escherichia coli BL21(DE3) pET22b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $MPMV_NTD_CA . mM 0.7 1.0 '[U-100% 15N]' 'sodium chloride' 150 mM . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_relax _Saveframe_category software _Name Relax _Version . loop_ _Vendor _Address _Electronic_address 'd'Auvergne, Gooley' . . stop_ loop_ _Task 'relaxation analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.15 . M pH 8.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_heteronuclear_T1_list_1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T1_coherence_type Nz _T1_value_units s-1 _Mol_system_component_name 'MPMV NTD CA' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 2 VAL N 1.13127 0.01891 2 3 THR N 1.13740 0.01373 3 4 GLU N 1.17019 0.00869 4 5 THR N 1.13117 0.01531 5 6 VAL N 1.19801 0.00882 6 7 ASP N 1.14440 0.00707 7 9 GLN N 1.20882 0.00884 8 10 GLY N 1.25537 0.01067 9 11 GLN N 1.12373 0.00530 10 12 ALA N 1.08422 0.00840 11 13 TRP N 1.07002 0.01534 12 14 ARG N 1.11634 0.01558 13 15 HIS N 1.11062 0.01455 14 16 HIS N 1.29246 0.01755 15 17 ASN N 1.17153 0.01264 16 18 GLY N 1.20646 0.05902 17 19 PHE N 1.27202 0.01088 18 20 ASP N 1.34406 0.01311 19 23 VAL N 1.00059 0.00810 20 24 ILE N 1.02191 0.01069 21 25 LYS N 0.97785 0.00941 22 26 GLU N 1.00437 0.00787 23 27 LEU N 1.02613 0.00944 24 28 LYS N 1.04061 0.01105 25 29 THR N 1.01266 0.00927 26 30 ALA N 1.00397 0.00841 27 31 ALA N 1.01780 0.00836 28 32 SER N 0.98465 0.00761 29 33 GLN N 0.96276 0.00711 30 34 TYR N 0.97004 0.01076 31 35 GLY N 1.05970 0.01040 32 36 ALA N 1.25830 0.02050 33 37 THR N 1.01308 0.00904 34 38 ALA N 1.18197 0.00767 35 41 THR N 0.96271 0.00870 36 43 ALA N 0.99125 0.00608 37 44 ILE N 0.93385 0.00984 38 45 VAL N 0.99481 0.00985 39 46 GLU N 0.98908 0.00850 40 47 SER N 0.94643 0.00663 41 48 VAL N 1.26111 0.00585 42 49 ALA N 1.02433 0.00840 43 50 ASP N 1.06092 0.00650 44 51 ASN N 1.04726 0.00563 45 53 LEU N 1.12244 0.01846 46 54 THR N 1.03728 0.01321 47 57 ASP N 1.10226 0.01455 48 60 THR N 1.02620 0.01291 49 61 LEU N 1.07392 0.01032 50 63 ARG N 1.01798 0.00991 51 64 ALA N 1.06488 0.00511 52 65 VAL N 1.02306 0.01159 53 66 LEU N 1.01465 0.00993 54 67 SER N 1.10590 0.01970 55 70 ASP N 1.23790 0.01012 56 71 HIS N 1.15182 0.00972 57 72 LEU N 1.06363 0.01073 58 73 LEU N 1.05521 0.00783 59 74 TRP N 1.11163 0.00937 60 76 SER N 1.03557 0.00772 61 77 GLU N 1.08637 0.01094 62 78 PHE N 1.07418 0.01438 63 79 PHE N 1.06326 0.01244 64 80 GLU N 1.03396 0.00484 65 81 ASN N 1.09041 0.00889 66 85 THR N 1.05147 0.00904 67 86 ALA N 1.06446 0.00852 68 88 ARG N 1.03586 0.00932 69 89 ASN N 1.05645 0.00916 70 90 GLN N 1.01566 0.00727 71 91 GLN N 1.19542 0.01091 72 93 GLY N 1.25001 0.01710 73 94 ASN N 1.20253 0.01633 74 96 TRP N 1.13252 0.00847 75 97 ASP N 0.96606 0.01080 76 98 PHE N 1.12157 0.02013 77 99 ASP N 1.12377 0.00860 78 100 MET N 1.11581 0.01314 79 101 LEU N 1.11202 0.01380 80 102 THR N 1.08297 0.01621 81 103 GLY N 1.30636 0.01225 82 104 SER N 1.15635 0.01111 83 105 GLY N 1.27212 0.02461 84 107 TYR N 1.11910 0.00985 85 108 SER N 1.16312 0.00681 86 109 SER N 1.25083 0.00760 87 111 ASP N 1.32460 0.00822 88 112 ALA N 1.12134 0.00797 89 114 MET N 1.20681 0.00980 90 115 GLN N 1.17004 0.01129 91 116 TYR N 1.08112 0.00990 92 117 ASP N 1.14536 0.01319 93 119 GLY N 1.23110 0.04222 94 120 LEU N 1.11258 0.01750 95 121 PHE N 0.99322 0.01094 96 122 ALA N 1.01619 0.00935 97 123 GLN N 0.96319 0.01047 98 124 ILE N 1.02321 0.01384 99 125 GLN N 1.04442 0.01282 100 126 ALA N 1.02564 0.01109 101 127 ALA N 0.99732 0.00747 102 128 ALA N 1.01361 0.00848 103 130 LYS N 1.01724 0.00834 104 131 ALA N 0.98105 0.00800 105 132 TRP N 0.95898 0.01043 106 133 ARG N 0.97662 0.01326 107 134 LYS N 0.98192 0.00897 108 135 LEU N 1.05305 0.01013 109 137 VAL N 1.19257 0.00508 110 138 LYS N 1.59277 0.00910 111 140 ASP N 1.10475 0.00174 stop_ save_ save_heteronuclear_T2_list_1 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T2_coherence_type Nz _T2_value_units s-1 _Mol_system_component_name 'MPMV NTD CA' _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 2 VAL N 18.05835 0.50007 . . 2 3 THR N 17.05131 0.31052 . . 3 4 GLU N 16.60984 0.18034 . . 4 5 THR N 16.15893 0.29003 . . 5 6 VAL N 15.76485 0.17560 . . 6 7 ASP N 15.32491 0.14242 . . 7 9 GLN N 16.37085 0.17960 . . 8 10 GLY N 14.70655 0.15994 . . 9 11 GLN N 15.49530 0.09595 . . 10 12 ALA N 14.04786 0.13642 . . 11 13 TRP N 15.20546 0.24896 . . 12 14 ARG N 15.87461 0.27664 . . 13 15 HIS N 16.25344 0.30199 . . 14 16 HIS N 18.42373 0.39089 . . 15 17 ASN N 17.22152 0.30905 . . 16 18 GLY N 21.46114 2.08234 . . 17 19 PHE N 18.10621 0.24845 . . 18 20 ASP N 16.51716 0.23846 . . 19 23 VAL N 17.16234 0.16116 . . 20 24 ILE N 18.05861 0.26109 . . 21 25 LYS N 18.46222 0.22225 . . 22 26 GLU N 18.63199 0.18481 . . 23 27 LEU N 18.15465 0.21210 . . 24 28 LYS N 18.40602 0.25265 . . 25 29 THR N 19.54731 0.25385 . . 26 30 ALA N 18.57704 0.21551 . . 27 31 ALA N 18.21278 0.20292 . . 28 32 SER N 17.20135 0.15872 . . 29 33 GLN N 17.91860 0.17730 . . 30 34 TYR N 17.98676 0.25018 . . 31 35 GLY N 15.59526 0.19104 . . 32 36 ALA N 19.44037 0.52458 . . 33 37 THR N 17.50242 0.20515 . . 34 38 ALA N 16.30941 0.13453 . . 35 41 THR N 17.98888 0.21350 . . 36 43 ALA N 19.04656 0.15707 . . 37 44 ILE N 18.47086 0.25099 . . 38 45 VAL N 18.65112 0.22071 . . 39 46 GLU N 18.42806 0.20960 . . 40 47 SER N 17.58088 0.15311 . . 41 48 VAL N 6.59224 0.03514 . . 42 49 ALA N 19.10834 0.18897 . . 43 50 ASP N 16.69003 0.12319 . . 44 51 ASN N 12.14639 0.07282 . . 45 53 LEU N 17.54151 0.45082 . . 46 54 THR N 13.78713 0.26305 . . 47 57 ASP N 20.14326 0.43221 . . 48 60 THR N 23.34141 0.54119 . . 49 61 LEU N 17.77494 0.26029 . . 50 63 ARG N 19.08140 0.22464 . . 51 64 ALA N 17.72423 0.11962 . . 52 65 VAL N 18.40310 0.24762 . . 53 66 LEU N 19.12904 0.26305 . . 54 67 SER N 18.17245 0.45056 . . 55 70 ASP N 17.81729 0.22768 . . 56 71 HIS N 18.14633 0.21346 . . 57 72 LEU N 19.18092 0.25891 . . 58 73 LEU N 17.14724 0.16175 . . 59 74 TRP N 17.60273 0.20239 . . 60 76 SER N 17.14775 0.17826 . . 61 77 GLU N 17.14730 0.21612 . . 62 78 PHE N 17.69430 0.30599 . . 63 79 PHE N 18.90230 0.31614 . . 64 80 GLU N 18.23012 0.10696 . . 65 81 ASN N 17.62720 0.19592 . . 66 85 THR N 17.61270 0.20053 . . 67 86 ALA N 18.53930 0.22479 . . 68 88 ARG N 17.67256 0.20338 . . 69 89 ASN N 17.59869 0.22754 . . 70 90 GLN N 15.88745 0.13889 . . 71 91 GLN N 19.06068 0.26056 . . 72 93 GLY N 19.10818 0.48019 . . 73 94 ASN N 22.39392 0.54617 . . 74 96 TRP N 15.16792 0.15770 . . 75 97 ASP N 15.58373 0.21974 . . 76 98 PHE N 17.30721 0.41400 . . 77 99 ASP N 17.00927 0.19561 . . 78 100 MET N 17.64543 0.30932 . . 79 101 LEU N 17.45976 0.28968 . . 80 102 THR N 16.87973 0.35014 . . 81 103 GLY N 18.71367 0.23109 . . 82 104 SER N 17.53617 0.27705 . . 83 105 GLY N 22.28598 0.80866 . . 84 107 TYR N 19.15307 0.31108 . . 85 108 SER N 17.78348 0.17437 . . 86 109 SER N 19.03770 0.20080 . . 87 111 ASP N 19.37745 0.20924 . . 88 112 ALA N 17.83986 0.18216 . . 89 114 MET N 15.80407 0.19192 . . 90 115 GLN N 16.92181 0.22673 . . 91 116 TYR N 18.14680 0.23437 . . 92 117 ASP N 16.28012 0.24417 . . 93 119 GLY N 24.29938 1.49703 . . 94 120 LEU N 19.46787 0.48679 . . 95 121 PHE N 19.43399 0.30516 . . 96 122 ALA N 19.72050 0.26595 . . 97 123 GLN N 19.55681 0.30896 . . 98 124 ILE N 17.31118 0.31285 . . 99 125 GLN N 19.66483 0.37571 . . 100 126 ALA N 19.18448 0.27349 . . 101 127 ALA N 19.20943 0.19004 . . 102 128 ALA N 18.91483 0.20788 . . 103 130 LYS N 13.39617 0.12827 . . 104 131 ALA N 18.88724 0.19425 . . 105 132 TRP N 19.23337 0.26187 . . 106 133 ARG N 17.62689 0.30258 . . 107 134 LYS N 17.95950 0.20403 . . 108 135 LEU N 17.41733 0.20844 . . 109 137 VAL N 12.06260 0.06091 . . 110 138 LYS N 9.84507 0.07382 . . 111 140 ASP N 2.39653 0.00437 . . stop_ save_ save_heteronuclear_noe_list_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _Mol_system_component_name 'MPMV NTD CA' _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'peak height' _NOE_reference_value 0.2 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 2 VAL 0.83661 0.06493 3 THR 0.75819 0.04351 4 GLU 0.76230 0.02564 5 THR 0.72596 0.04100 6 VAL 0.70598 0.02925 7 ASP 0.65279 0.02080 9 GLN 0.60501 0.02648 10 GLY 0.61043 0.02783 11 GLN 0.66678 0.01617 12 ALA 0.57187 0.02606 13 TRP 0.67754 0.03834 14 ARG 0.72192 0.03677 15 HIS 0.81619 0.04101 16 HIS 0.80131 0.04983 17 ASN 0.80820 0.04265 18 GLY 0.81366 0.09561 19 PHE 0.78141 0.02819 20 ASP 0.75273 0.03583 23 VAL 0.67356 0.02892 24 ILE 0.82068 0.04178 25 LYS 0.78177 0.03376 26 GLU 0.82879 0.03192 27 LEU 0.76070 0.03154 28 LYS 0.79660 0.04204 29 THR 0.77299 0.03329 30 ALA 0.76729 0.03175 31 ALA 0.79791 0.03374 32 SER 0.78244 0.02772 33 GLN 0.74926 0.02834 34 TYR 0.80241 0.03447 35 GLY 0.74779 0.03225 36 ALA 0.77360 0.04564 37 THR 0.75811 0.03192 38 ALA 0.81096 0.02569 41 THR 0.75557 0.03067 43 ALA 0.80948 0.02508 44 ILE 0.80997 0.03808 45 VAL 0.78936 0.03745 46 GLU 0.80134 0.03349 47 SER 0.76620 0.02742 48 VAL 0.56007 0.01741 49 ALA 0.76715 0.02915 50 ASP 0.76810 0.02508 51 ASN 0.25534 0.01747 53 LEU 0.78259 0.05178 54 THR 0.75297 0.03531 57 ASP 0.80576 0.04040 60 THR 0.79410 0.03803 61 LEU 0.79192 0.03349 63 ARG 0.82678 0.03898 64 ALA 0.78492 0.01727 65 VAL 0.72677 0.03664 66 LEU 0.79402 0.04000 67 SER 0.72868 0.04959 70 ASP 0.85370 0.03161 71 HIS 0.78269 0.02746 72 LEU 0.77647 0.03513 73 LEU 0.81774 0.02755 74 TRP 0.81124 0.03238 76 SER 0.79520 0.03084 77 GLU 0.79876 0.03598 78 PHE 0.80998 0.04284 79 PHE 0.81871 0.04291 80 GLU 0.81054 0.01695 81 ASN 0.81833 0.03009 85 THR 0.80644 0.03116 86 ALA 0.83877 0.03268 88 ARG 0.83022 0.03492 89 ASN 0.75290 0.03500 90 GLN 0.56029 0.02177 91 GLN 0.79432 0.03000 93 GLY 0.76946 0.04164 94 ASN 0.79731 0.04397 96 TRP 0.72764 0.02693 97 ASP 0.75097 0.03503 98 PHE 0.83195 0.04909 99 ASP 0.79513 0.02691 100 MET 0.77924 0.03218 101 LEU 0.84482 0.03858 102 THR 0.80723 0.04162 103 GLY 0.77976 0.03460 104 SER 0.77245 0.03354 105 GLY 0.81489 0.04904 107 TYR 0.79407 0.03199 108 SER 0.79467 0.02288 109 SER 0.76266 0.02323 111 ASP 0.73727 0.02176 112 ALA 0.77261 0.02464 114 MET 0.81490 0.03108 115 GLN 0.79803 0.03342 116 TYR 0.80438 0.03104 117 ASP 0.78040 0.03302 119 GLY 0.77502 0.05860 120 LEU 0.86784 0.05262 121 PHE 0.84537 0.03529 122 ALA 0.97547 0.03912 123 GLN 0.84169 0.03293 124 ILE 0.79041 0.04047 125 GLN 0.85837 0.03900 126 ALA 0.80183 0.03445 127 ALA 0.80274 0.03183 128 ALA 0.78987 0.03208 130 LYS 0.74397 0.02972 131 ALA 0.83636 0.03330 132 TRP 0.80930 0.03629 133 ARG 0.82248 0.04678 134 LYS 0.73041 0.03232 135 LEU 0.77960 0.03337 137 VAL 0.45540 0.01652 138 LYS 0.31473 0.01664 140 ASP -0.53029 0.00771 stop_ save_