data_5HBT # _entry.id 5HBT # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.279 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 5HBT WWPDB D_1000216517 # _pdbx_database_related.db_name PDB _pdbx_database_related.details . _pdbx_database_related.db_id 5HBV _pdbx_database_related.content_type unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.entry_id 5HBT _pdbx_database_status.recvd_initial_deposition_date 2016-01-02 _pdbx_database_status.SG_entry N _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal _audit_author.identifier_ORCID 'Noridomi, K.' 1 ? 'Watanabe, G.' 2 ? 'Hansen, M.N.' 3 ? 'Han, G.W.' 4 ? 'Chen, L.' 5 ? # _citation.abstract ? _citation.abstract_id_CAS ? _citation.book_id_ISBN ? _citation.book_publisher ? _citation.book_publisher_city ? _citation.book_title ? _citation.coordinate_linkage ? _citation.country US _citation.database_id_Medline ? _citation.details ? _citation.id primary _citation.journal_abbrev Elife _citation.journal_id_ASTM ? _citation.journal_id_CSD ? _citation.journal_id_ISSN 2050-084X _citation.journal_full ? _citation.journal_issue ? _citation.journal_volume 6 _citation.language ? _citation.page_first ? _citation.page_last ? _citation.title 'Structural insights into the molecular mechanisms of myasthenia gravis and their therapeutic implications.' _citation.year 2017 _citation.database_id_CSD ? _citation.pdbx_database_id_DOI 10.7554/eLife.23043 _citation.pdbx_database_id_PubMed 28440223 _citation.unpublished_flag ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Noridomi, K.' 1 primary 'Watanabe, G.' 2 primary 'Hansen, M.N.' 3 primary 'Han, G.W.' 4 primary 'Chen, L.' 5 # _cell.entry_id 5HBT _cell.length_a 160.006 _cell.length_b 42.143 _cell.length_c 136.488 _cell.angle_alpha 90.00 _cell.angle_beta 117.05 _cell.angle_gamma 90.00 _cell.Z_PDB 4 _cell.pdbx_unique_axis ? # _symmetry.entry_id 5HBT _symmetry.space_group_name_H-M 'C 1 2 1' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 5 # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer man 'Acetylcholine receptor subunit alpha 1' 24626.900 1 ? 'V8E, W149R, V155A' 'UNP residues 21-231' ? 2 polymer nat 'Fab35, Light Chain' 23392.982 1 ? ? ? ? 3 polymer nat 'Fab35, Heavy Chain' 23879.758 1 ? ? ? ? 4 polymer nat 'Alpha-bungarotoxin isoform V31' 8033.334 1 ? ? 'UNP residues 22-95' ? 5 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 2 ? ? ? ? 6 non-polymer man BETA-D-MANNOSE 180.156 1 ? ? ? ? 7 non-polymer man ALPHA-D-MANNOSE 180.156 6 ? ? ? ? 8 water nat water 18.015 102 ? ? ? ? # loop_ _entity_name_com.entity_id _entity_name_com.name 1 'Cholinergic receptor,nicotinic,alpha 1 (Muscle),isoform CRA_c' 4 'BGTX V31,Long neurotoxin 1' # loop_ _entity_poly.entity_id _entity_poly.type _entity_poly.nstd_linkage _entity_poly.nstd_monomer _entity_poly.pdbx_seq_one_letter_code _entity_poly.pdbx_seq_one_letter_code_can _entity_poly.pdbx_strand_id _entity_poly.pdbx_target_identifier 1 'polypeptide(L)' no no ;KSEHETRLEAKLFKDYSSVVRPVEDHRQVVEVTVGLQLIQLINVDEVNQIVTTNVRLKQQWVDYNLKWNPDDYGGVKKIH IPSEKIWRPDLVLYNNADGDFAIVKFTKVLLQYTGHITWTPPAIFKSYCEIIVTHFPFDEQNCSMKLGTRTYDGSAVAIN PESDQPDLSNFMESGEWVIKESRGWKHSVTYSCCPDTPYLDITYHFVMQRLP ; ;KSEHETRLEAKLFKDYSSVVRPVEDHRQVVEVTVGLQLIQLINVDEVNQIVTTNVRLKQQWVDYNLKWNPDDYGGVKKIH IPSEKIWRPDLVLYNNADGDFAIVKFTKVLLQYTGHITWTPPAIFKSYCEIIVTHFPFDEQNCSMKLGTRTYDGSAVAIN PESDQPDLSNFMESGEWVIKESRGWKHSVTYSCCPDTPYLDITYHFVMQRLP ; B ? 2 'polypeptide(L)' no no ;DIVITQSPSLLSASVGDRVTLTCKGSQNIDNYLAWYQQKLGEAPKLLIYKTNSLQTGIPSRFSGSGSGTDYTLTISSLHS EDLATYYCYQYINGYTFGTGTKLELKRADAAPTVSIFPPSTEQLATGGASVVCLMNNFYPRDISVKWKIDGTERRDGVLD SVTDQDSKDSTYSMSSTLSLTKADYESHNLYTCEVVHKTSSSPVVKSFNRNEC ; ;DIVITQSPSLLSASVGDRVTLTCKGSQNIDNYLAWYQQKLGEAPKLLIYKTNSLQTGIPSRFSGSGSGTDYTLTISSLHS EDLATYYCYQYINGYTFGTGTKLELKRADAAPTVSIFPPSTEQLATGGASVVCLMNNFYPRDISVKWKIDGTERRDGVLD SVTDQDSKDSTYSMSSTLSLTKADYESHNLYTCEVVHKTSSSPVVKSFNRNEC ; C ? 3 'polypeptide(L)' no no ;EVQLQESGPGLVQPSETLSLTCTVSGFSLTSYSVSWLRQPSGKGPEWMGRMWDDGGTVYNSGLKSRLSISRDTSKNQVFL KMNSLQTDDTGTYYCTRDERIRAINWFAYWGQGTLVTVSSAETTAPSVYPLAPGTALKSNSMVTLGCLVKGYFPEPVTVT WNSGALSSGVHTFPAVLQSGLYTLTSSVTVPSSTWPSQTVTCNVAHPGQQHQRWTRKLC ; ;EVQLQESGPGLVQPSETLSLTCTVSGFSLTSYSVSWLRQPSGKGPEWMGRMWDDGGTVYNSGLKSRLSISRDTSKNQVFL KMNSLQTDDTGTYYCTRDERIRAINWFAYWGQGTLVTVSSAETTAPSVYPLAPGTALKSNSMVTLGCLVKGYFPEPVTVT WNSGALSSGVHTFPAVLQSGLYTLTSSVTVPSSTWPSQTVTCNVAHPGQQHQRWTRKLC ; D ? 4 'polypeptide(L)' no no IVCHTTATSPISAVTCPPGENLCYRKMWCDVFCSSRGKVVELGCAATCPSKKPYEEVTCCSTDKCNPHPKQRPG IVCHTTATSPISAVTCPPGENLCYRKMWCDVFCSSRGKVVELGCAATCPSKKPYEEVTCCSTDKCNPHPKQRPG A ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 LYS n 1 2 SER n 1 3 GLU n 1 4 HIS n 1 5 GLU n 1 6 THR n 1 7 ARG n 1 8 LEU n 1 9 GLU n 1 10 ALA n 1 11 LYS n 1 12 LEU n 1 13 PHE n 1 14 LYS n 1 15 ASP n 1 16 TYR n 1 17 SER n 1 18 SER n 1 19 VAL n 1 20 VAL n 1 21 ARG n 1 22 PRO n 1 23 VAL n 1 24 GLU n 1 25 ASP n 1 26 HIS n 1 27 ARG n 1 28 GLN n 1 29 VAL n 1 30 VAL n 1 31 GLU n 1 32 VAL n 1 33 THR n 1 34 VAL n 1 35 GLY n 1 36 LEU n 1 37 GLN n 1 38 LEU n 1 39 ILE n 1 40 GLN n 1 41 LEU n 1 42 ILE n 1 43 ASN n 1 44 VAL n 1 45 ASP n 1 46 GLU n 1 47 VAL n 1 48 ASN n 1 49 GLN n 1 50 ILE n 1 51 VAL n 1 52 THR n 1 53 THR n 1 54 ASN n 1 55 VAL n 1 56 ARG n 1 57 LEU n 1 58 LYS n 1 59 GLN n 1 60 GLN n 1 61 TRP n 1 62 VAL n 1 63 ASP n 1 64 TYR n 1 65 ASN n 1 66 LEU n 1 67 LYS n 1 68 TRP n 1 69 ASN n 1 70 PRO n 1 71 ASP n 1 72 ASP n 1 73 TYR n 1 74 GLY n 1 75 GLY n 1 76 VAL n 1 77 LYS n 1 78 LYS n 1 79 ILE n 1 80 HIS n 1 81 ILE n 1 82 PRO n 1 83 SER n 1 84 GLU n 1 85 LYS n 1 86 ILE n 1 87 TRP n 1 88 ARG n 1 89 PRO n 1 90 ASP n 1 91 LEU n 1 92 VAL n 1 93 LEU n 1 94 TYR n 1 95 ASN n 1 96 ASN n 1 97 ALA n 1 98 ASP n 1 99 GLY n 1 100 ASP n 1 101 PHE n 1 102 ALA n 1 103 ILE n 1 104 VAL n 1 105 LYS n 1 106 PHE n 1 107 THR n 1 108 LYS n 1 109 VAL n 1 110 LEU n 1 111 LEU n 1 112 GLN n 1 113 TYR n 1 114 THR n 1 115 GLY n 1 116 HIS n 1 117 ILE n 1 118 THR n 1 119 TRP n 1 120 THR n 1 121 PRO n 1 122 PRO n 1 123 ALA n 1 124 ILE n 1 125 PHE n 1 126 LYS n 1 127 SER n 1 128 TYR n 1 129 CYS n 1 130 GLU n 1 131 ILE n 1 132 ILE n 1 133 VAL n 1 134 THR n 1 135 HIS n 1 136 PHE n 1 137 PRO n 1 138 PHE n 1 139 ASP n 1 140 GLU n 1 141 GLN n 1 142 ASN n 1 143 CYS n 1 144 SER n 1 145 MET n 1 146 LYS n 1 147 LEU n 1 148 GLY n 1 149 THR n 1 150 ARG n 1 151 THR n 1 152 TYR n 1 153 ASP n 1 154 GLY n 1 155 SER n 1 156 ALA n 1 157 VAL n 1 158 ALA n 1 159 ILE n 1 160 ASN n 1 161 PRO n 1 162 GLU n 1 163 SER n 1 164 ASP n 1 165 GLN n 1 166 PRO n 1 167 ASP n 1 168 LEU n 1 169 SER n 1 170 ASN n 1 171 PHE n 1 172 MET n 1 173 GLU n 1 174 SER n 1 175 GLY n 1 176 GLU n 1 177 TRP n 1 178 VAL n 1 179 ILE n 1 180 LYS n 1 181 GLU n 1 182 SER n 1 183 ARG n 1 184 GLY n 1 185 TRP n 1 186 LYS n 1 187 HIS n 1 188 SER n 1 189 VAL n 1 190 THR n 1 191 TYR n 1 192 SER n 1 193 CYS n 1 194 CYS n 1 195 PRO n 1 196 ASP n 1 197 THR n 1 198 PRO n 1 199 TYR n 1 200 LEU n 1 201 ASP n 1 202 ILE n 1 203 THR n 1 204 TYR n 1 205 HIS n 1 206 PHE n 1 207 VAL n 1 208 MET n 1 209 GLN n 1 210 ARG n 1 211 LEU n 1 212 PRO n 2 1 ASP n 2 2 ILE n 2 3 VAL n 2 4 ILE n 2 5 THR n 2 6 GLN n 2 7 SER n 2 8 PRO n 2 9 SER n 2 10 LEU n 2 11 LEU n 2 12 SER n 2 13 ALA n 2 14 SER n 2 15 VAL n 2 16 GLY n 2 17 ASP n 2 18 ARG n 2 19 VAL n 2 20 THR n 2 21 LEU n 2 22 THR n 2 23 CYS n 2 24 LYS n 2 25 GLY n 2 26 SER n 2 27 GLN n 2 28 ASN n 2 29 ILE n 2 30 ASP n 2 31 ASN n 2 32 TYR n 2 33 LEU n 2 34 ALA n 2 35 TRP n 2 36 TYR n 2 37 GLN n 2 38 GLN n 2 39 LYS n 2 40 LEU n 2 41 GLY n 2 42 GLU n 2 43 ALA n 2 44 PRO n 2 45 LYS n 2 46 LEU n 2 47 LEU n 2 48 ILE n 2 49 TYR n 2 50 LYS n 2 51 THR n 2 52 ASN n 2 53 SER n 2 54 LEU n 2 55 GLN n 2 56 THR n 2 57 GLY n 2 58 ILE n 2 59 PRO n 2 60 SER n 2 61 ARG n 2 62 PHE n 2 63 SER n 2 64 GLY n 2 65 SER n 2 66 GLY n 2 67 SER n 2 68 GLY n 2 69 THR n 2 70 ASP n 2 71 TYR n 2 72 THR n 2 73 LEU n 2 74 THR n 2 75 ILE n 2 76 SER n 2 77 SER n 2 78 LEU n 2 79 HIS n 2 80 SER n 2 81 GLU n 2 82 ASP n 2 83 LEU n 2 84 ALA n 2 85 THR n 2 86 TYR n 2 87 TYR n 2 88 CYS n 2 89 TYR n 2 90 GLN n 2 91 TYR n 2 92 ILE n 2 93 ASN n 2 94 GLY n 2 95 TYR n 2 96 THR n 2 97 PHE n 2 98 GLY n 2 99 THR n 2 100 GLY n 2 101 THR n 2 102 LYS n 2 103 LEU n 2 104 GLU n 2 105 LEU n 2 106 LYS n 2 107 ARG n 2 108 ALA n 2 109 ASP n 2 110 ALA n 2 111 ALA n 2 112 PRO n 2 113 THR n 2 114 VAL n 2 115 SER n 2 116 ILE n 2 117 PHE n 2 118 PRO n 2 119 PRO n 2 120 SER n 2 121 THR n 2 122 GLU n 2 123 GLN n 2 124 LEU n 2 125 ALA n 2 126 THR n 2 127 GLY n 2 128 GLY n 2 129 ALA n 2 130 SER n 2 131 VAL n 2 132 VAL n 2 133 CYS n 2 134 LEU n 2 135 MET n 2 136 ASN n 2 137 ASN n 2 138 PHE n 2 139 TYR n 2 140 PRO n 2 141 ARG n 2 142 ASP n 2 143 ILE n 2 144 SER n 2 145 VAL n 2 146 LYS n 2 147 TRP n 2 148 LYS n 2 149 ILE n 2 150 ASP n 2 151 GLY n 2 152 THR n 2 153 GLU n 2 154 ARG n 2 155 ARG n 2 156 ASP n 2 157 GLY n 2 158 VAL n 2 159 LEU n 2 160 ASP n 2 161 SER n 2 162 VAL n 2 163 THR n 2 164 ASP n 2 165 GLN n 2 166 ASP n 2 167 SER n 2 168 LYS n 2 169 ASP n 2 170 SER n 2 171 THR n 2 172 TYR n 2 173 SER n 2 174 MET n 2 175 SER n 2 176 SER n 2 177 THR n 2 178 LEU n 2 179 SER n 2 180 LEU n 2 181 THR n 2 182 LYS n 2 183 ALA n 2 184 ASP n 2 185 TYR n 2 186 GLU n 2 187 SER n 2 188 HIS n 2 189 ASN n 2 190 LEU n 2 191 TYR n 2 192 THR n 2 193 CYS n 2 194 GLU n 2 195 VAL n 2 196 VAL n 2 197 HIS n 2 198 LYS n 2 199 THR n 2 200 SER n 2 201 SER n 2 202 SER n 2 203 PRO n 2 204 VAL n 2 205 VAL n 2 206 LYS n 2 207 SER n 2 208 PHE n 2 209 ASN n 2 210 ARG n 2 211 ASN n 2 212 GLU n 2 213 CYS n 3 1 GLU n 3 2 VAL n 3 3 GLN n 3 4 LEU n 3 5 GLN n 3 6 GLU n 3 7 SER n 3 8 GLY n 3 9 PRO n 3 10 GLY n 3 11 LEU n 3 12 VAL n 3 13 GLN n 3 14 PRO n 3 15 SER n 3 16 GLU n 3 17 THR n 3 18 LEU n 3 19 SER n 3 20 LEU n 3 21 THR n 3 22 CYS n 3 23 THR n 3 24 VAL n 3 25 SER n 3 26 GLY n 3 27 PHE n 3 28 SER n 3 29 LEU n 3 30 THR n 3 31 SER n 3 32 TYR n 3 33 SER n 3 34 VAL n 3 35 SER n 3 36 TRP n 3 37 LEU n 3 38 ARG n 3 39 GLN n 3 40 PRO n 3 41 SER n 3 42 GLY n 3 43 LYS n 3 44 GLY n 3 45 PRO n 3 46 GLU n 3 47 TRP n 3 48 MET n 3 49 GLY n 3 50 ARG n 3 51 MET n 3 52 TRP n 3 53 ASP n 3 54 ASP n 3 55 GLY n 3 56 GLY n 3 57 THR n 3 58 VAL n 3 59 TYR n 3 60 ASN n 3 61 SER n 3 62 GLY n 3 63 LEU n 3 64 LYS n 3 65 SER n 3 66 ARG n 3 67 LEU n 3 68 SER n 3 69 ILE n 3 70 SER n 3 71 ARG n 3 72 ASP n 3 73 THR n 3 74 SER n 3 75 LYS n 3 76 ASN n 3 77 GLN n 3 78 VAL n 3 79 PHE n 3 80 LEU n 3 81 LYS n 3 82 MET n 3 83 ASN n 3 84 SER n 3 85 LEU n 3 86 GLN n 3 87 THR n 3 88 ASP n 3 89 ASP n 3 90 THR n 3 91 GLY n 3 92 THR n 3 93 TYR n 3 94 TYR n 3 95 CYS n 3 96 THR n 3 97 ARG n 3 98 ASP n 3 99 GLU n 3 100 ARG n 3 101 ILE n 3 102 ARG n 3 103 ALA n 3 104 ILE n 3 105 ASN n 3 106 TRP n 3 107 PHE n 3 108 ALA n 3 109 TYR n 3 110 TRP n 3 111 GLY n 3 112 GLN n 3 113 GLY n 3 114 THR n 3 115 LEU n 3 116 VAL n 3 117 THR n 3 118 VAL n 3 119 SER n 3 120 SER n 3 121 ALA n 3 122 GLU n 3 123 THR n 3 124 THR n 3 125 ALA n 3 126 PRO n 3 127 SER n 3 128 VAL n 3 129 TYR n 3 130 PRO n 3 131 LEU n 3 132 ALA n 3 133 PRO n 3 134 GLY n 3 135 THR n 3 136 ALA n 3 137 LEU n 3 138 LYS n 3 139 SER n 3 140 ASN n 3 141 SER n 3 142 MET n 3 143 VAL n 3 144 THR n 3 145 LEU n 3 146 GLY n 3 147 CYS n 3 148 LEU n 3 149 VAL n 3 150 LYS n 3 151 GLY n 3 152 TYR n 3 153 PHE n 3 154 PRO n 3 155 GLU n 3 156 PRO n 3 157 VAL n 3 158 THR n 3 159 VAL n 3 160 THR n 3 161 TRP n 3 162 ASN n 3 163 SER n 3 164 GLY n 3 165 ALA n 3 166 LEU n 3 167 SER n 3 168 SER n 3 169 GLY n 3 170 VAL n 3 171 HIS n 3 172 THR n 3 173 PHE n 3 174 PRO n 3 175 ALA n 3 176 VAL n 3 177 LEU n 3 178 GLN n 3 179 SER n 3 180 GLY n 3 181 LEU n 3 182 TYR n 3 183 THR n 3 184 LEU n 3 185 THR n 3 186 SER n 3 187 SER n 3 188 VAL n 3 189 THR n 3 190 VAL n 3 191 PRO n 3 192 SER n 3 193 SER n 3 194 THR n 3 195 TRP n 3 196 PRO n 3 197 SER n 3 198 GLN n 3 199 THR n 3 200 VAL n 3 201 THR n 3 202 CYS n 3 203 ASN n 3 204 VAL n 3 205 ALA n 3 206 HIS n 3 207 PRO n 3 208 GLY n 3 209 GLN n 3 210 GLN n 3 211 HIS n 3 212 GLN n 3 213 ARG n 3 214 TRP n 3 215 THR n 3 216 ARG n 3 217 LYS n 3 218 LEU n 3 219 CYS n 4 1 ILE n 4 2 VAL n 4 3 CYS n 4 4 HIS n 4 5 THR n 4 6 THR n 4 7 ALA n 4 8 THR n 4 9 SER n 4 10 PRO n 4 11 ILE n 4 12 SER n 4 13 ALA n 4 14 VAL n 4 15 THR n 4 16 CYS n 4 17 PRO n 4 18 PRO n 4 19 GLY n 4 20 GLU n 4 21 ASN n 4 22 LEU n 4 23 CYS n 4 24 TYR n 4 25 ARG n 4 26 LYS n 4 27 MET n 4 28 TRP n 4 29 CYS n 4 30 ASP n 4 31 VAL n 4 32 PHE n 4 33 CYS n 4 34 SER n 4 35 SER n 4 36 ARG n 4 37 GLY n 4 38 LYS n 4 39 VAL n 4 40 VAL n 4 41 GLU n 4 42 LEU n 4 43 GLY n 4 44 CYS n 4 45 ALA n 4 46 ALA n 4 47 THR n 4 48 CYS n 4 49 PRO n 4 50 SER n 4 51 LYS n 4 52 LYS n 4 53 PRO n 4 54 TYR n 4 55 GLU n 4 56 GLU n 4 57 VAL n 4 58 THR n 4 59 CYS n 4 60 CYS n 4 61 SER n 4 62 THR n 4 63 ASP n 4 64 LYS n 4 65 CYS n 4 66 ASN n 4 67 PRO n 4 68 HIS n 4 69 PRO n 4 70 LYS n 4 71 GLN n 4 72 ARG n 4 73 PRO n 4 74 GLY n # _entity_src_gen.entity_id 1 _entity_src_gen.pdbx_src_id 1 _entity_src_gen.pdbx_alt_source_flag sample _entity_src_gen.pdbx_seq_type 'Biological sequence' _entity_src_gen.pdbx_beg_seq_num 1 _entity_src_gen.pdbx_end_seq_num 212 _entity_src_gen.gene_src_common_name Human _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene 'CHRNA1, hCG_1811440' _entity_src_gen.gene_src_species ? _entity_src_gen.gene_src_strain ? _entity_src_gen.gene_src_tissue ? _entity_src_gen.gene_src_tissue_fraction ? _entity_src_gen.gene_src_details ? _entity_src_gen.pdbx_gene_src_fragment ? _entity_src_gen.pdbx_gene_src_scientific_name 'Homo sapiens' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 9606 _entity_src_gen.pdbx_gene_src_variant ? _entity_src_gen.pdbx_gene_src_cell_line ? _entity_src_gen.pdbx_gene_src_atcc ? _entity_src_gen.pdbx_gene_src_organ ? _entity_src_gen.pdbx_gene_src_organelle ? _entity_src_gen.pdbx_gene_src_cell ? _entity_src_gen.pdbx_gene_src_cellular_location ? _entity_src_gen.host_org_common_name ? _entity_src_gen.pdbx_host_org_scientific_name Pichia _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 4919 _entity_src_gen.host_org_genus ? _entity_src_gen.pdbx_host_org_gene ? _entity_src_gen.pdbx_host_org_organ ? _entity_src_gen.host_org_species ? _entity_src_gen.pdbx_host_org_tissue ? _entity_src_gen.pdbx_host_org_tissue_fraction ? _entity_src_gen.pdbx_host_org_strain KM71H _entity_src_gen.pdbx_host_org_variant ? _entity_src_gen.pdbx_host_org_cell_line ? _entity_src_gen.pdbx_host_org_atcc ? _entity_src_gen.pdbx_host_org_culture_collection ? _entity_src_gen.pdbx_host_org_cell ? _entity_src_gen.pdbx_host_org_organelle ? _entity_src_gen.pdbx_host_org_cellular_location ? _entity_src_gen.pdbx_host_org_vector_type ? _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name ? _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # loop_ _entity_src_nat.entity_id _entity_src_nat.pdbx_src_id _entity_src_nat.pdbx_alt_source_flag _entity_src_nat.pdbx_beg_seq_num _entity_src_nat.pdbx_end_seq_num _entity_src_nat.common_name _entity_src_nat.pdbx_organism_scientific _entity_src_nat.pdbx_ncbi_taxonomy_id _entity_src_nat.genus _entity_src_nat.species _entity_src_nat.strain _entity_src_nat.tissue _entity_src_nat.tissue_fraction _entity_src_nat.pdbx_secretion _entity_src_nat.pdbx_fragment _entity_src_nat.pdbx_variant _entity_src_nat.pdbx_cell_line _entity_src_nat.pdbx_atcc _entity_src_nat.pdbx_cellular_location _entity_src_nat.pdbx_organ _entity_src_nat.pdbx_organelle _entity_src_nat.pdbx_cell _entity_src_nat.pdbx_plasmid_name _entity_src_nat.pdbx_plasmid_details _entity_src_nat.details 2 1 sample 1 213 'Norway rat' 'Rattus norvegicus' 10116 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 3 1 sample 1 219 'Norway rat' 'Rattus norvegicus' 10116 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 4 1 sample 1 74 'Many-banded krait' 'Bungarus multicinctus' 8616 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? # loop_ _struct_ref.id _struct_ref.db_name _struct_ref.db_code _struct_ref.pdbx_db_accession _struct_ref.pdbx_db_isoform _struct_ref.entity_id _struct_ref.pdbx_seq_one_letter_code _struct_ref.pdbx_align_begin 1 UNP G5E9G9_HUMAN G5E9G9 ? 1 ;SEHETRLVAKLFKDYSSVVRPVEDHRQVVEVTVGLQLIQLINVDEVNQIVTTNVRLKQQWVDYNLKWNPDDYGGVKKIHI PSEKIWRPDLVLYNNADGDFAIVKFTKVLLQYTGHITWTPPAIFKSYCEIIVTHFPFDEQNCSMKLGTWTYDGSVVAINP ESDQPDLSNFMESGEWVIKESRGWKHSVTYSCCPDTPYLDITYHFVMQRLP ; 21 2 PDB 5HBT 5HBT ? 2 ? 1 3 PDB 5HBT 5HBT ? 3 ? 1 4 UNP 3L21V_BUNMU P60616 ? 4 IVCHTTATSPISAVTCPPGENLCYRKMWCDVFCSSRGKVVELGCAATCPSKKPYEEVTCCSTDKCNPHPKQRPG 22 # loop_ _struct_ref_seq.align_id _struct_ref_seq.ref_id _struct_ref_seq.pdbx_PDB_id_code _struct_ref_seq.pdbx_strand_id _struct_ref_seq.seq_align_beg _struct_ref_seq.pdbx_seq_align_beg_ins_code _struct_ref_seq.seq_align_end _struct_ref_seq.pdbx_seq_align_end_ins_code _struct_ref_seq.pdbx_db_accession _struct_ref_seq.db_align_beg _struct_ref_seq.pdbx_db_align_beg_ins_code _struct_ref_seq.db_align_end _struct_ref_seq.pdbx_db_align_end_ins_code _struct_ref_seq.pdbx_auth_seq_align_beg _struct_ref_seq.pdbx_auth_seq_align_end 1 1 5HBT B 2 ? 212 ? G5E9G9 21 ? 231 ? 1 211 2 2 5HBT C 1 ? 213 ? 5HBT 1 ? 213 ? 1 213 3 3 5HBT D 1 ? 219 ? 5HBT 1 ? 219 ? 1 219 4 4 5HBT A 1 ? 74 ? P60616 22 ? 95 ? 1 74 # loop_ _struct_ref_seq_dif.align_id _struct_ref_seq_dif.pdbx_pdb_id_code _struct_ref_seq_dif.mon_id _struct_ref_seq_dif.pdbx_pdb_strand_id _struct_ref_seq_dif.seq_num _struct_ref_seq_dif.pdbx_pdb_ins_code _struct_ref_seq_dif.pdbx_seq_db_name _struct_ref_seq_dif.pdbx_seq_db_accession_code _struct_ref_seq_dif.db_mon_id _struct_ref_seq_dif.pdbx_seq_db_seq_num _struct_ref_seq_dif.details _struct_ref_seq_dif.pdbx_auth_seq_num _struct_ref_seq_dif.pdbx_ordinal 1 5HBT LYS B 1 ? UNP G5E9G9 ? ? 'expression tag' 0 1 1 5HBT GLU B 9 ? UNP G5E9G9 VAL 28 'engineered mutation' 8 2 1 5HBT ARG B 150 ? UNP G5E9G9 TRP 169 'engineered mutation' 149 3 1 5HBT ALA B 156 ? UNP G5E9G9 VAL 175 'engineered mutation' 155 4 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 BMA D-saccharide . BETA-D-MANNOSE ? 'C6 H12 O6' 180.156 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MAN D-saccharide . ALPHA-D-MANNOSE ? 'C6 H12 O6' 180.156 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.absorpt_coefficient_mu ? _exptl.absorpt_correction_T_max ? _exptl.absorpt_correction_T_min ? _exptl.absorpt_correction_type ? _exptl.absorpt_process_details ? _exptl.entry_id 5HBT _exptl.crystals_number 1 _exptl.details ? _exptl.method 'X-RAY DIFFRACTION' _exptl.method_details ? # _exptl_crystal.colour ? _exptl_crystal.density_diffrn ? _exptl_crystal.density_Matthews 2.56 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 52.02 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.id 1 _exptl_crystal.preparation ? _exptl_crystal.size_max ? _exptl_crystal.size_mid ? _exptl_crystal.size_min ? _exptl_crystal.size_rad ? _exptl_crystal.colour_lustre ? _exptl_crystal.colour_modifier ? _exptl_crystal.colour_primary ? _exptl_crystal.density_meas ? _exptl_crystal.density_meas_esd ? _exptl_crystal.density_meas_gt ? _exptl_crystal.density_meas_lt ? _exptl_crystal.density_meas_temp ? _exptl_crystal.density_meas_temp_esd ? _exptl_crystal.density_meas_temp_gt ? _exptl_crystal.density_meas_temp_lt ? _exptl_crystal.pdbx_crystal_image_url ? _exptl_crystal.pdbx_crystal_image_format ? _exptl_crystal.pdbx_mosaicity ? _exptl_crystal.pdbx_mosaicity_esd ? # _exptl_crystal_grow.apparatus ? _exptl_crystal_grow.atmosphere ? _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.details ? _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' _exptl_crystal_grow.method_ref ? _exptl_crystal_grow.pH ? _exptl_crystal_grow.pressure ? _exptl_crystal_grow.pressure_esd ? _exptl_crystal_grow.seeding ? _exptl_crystal_grow.seeding_ref ? _exptl_crystal_grow.temp 298 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.temp_esd ? _exptl_crystal_grow.time ? _exptl_crystal_grow.pdbx_details 'sodium cacodylate trihydrate, calcium acetate hydrate, PEG 8000' _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.ambient_environment ? _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.ambient_temp_esd ? _diffrn.crystal_id 1 _diffrn.crystal_support ? _diffrn.crystal_treatment ? _diffrn.details ? _diffrn.id 1 _diffrn.ambient_pressure ? _diffrn.ambient_pressure_esd ? _diffrn.ambient_pressure_gt ? _diffrn.ambient_pressure_lt ? _diffrn.ambient_temp_gt ? _diffrn.ambient_temp_lt ? # _diffrn_detector.details ? _diffrn_detector.detector CCD _diffrn_detector.diffrn_id 1 _diffrn_detector.type 'MARMOSAIC 300 mm CCD' _diffrn_detector.area_resol_mean ? _diffrn_detector.dtime ? _diffrn_detector.pdbx_frames_total ? _diffrn_detector.pdbx_collection_time_total ? _diffrn_detector.pdbx_collection_date 2014-02-10 # _diffrn_radiation.collimation ? _diffrn_radiation.diffrn_id 1 _diffrn_radiation.filter_edge ? _diffrn_radiation.inhomogeneity ? _diffrn_radiation.monochromator ? _diffrn_radiation.polarisn_norm ? _diffrn_radiation.polarisn_ratio ? _diffrn_radiation.probe ? _diffrn_radiation.type ? _diffrn_radiation.xray_symbol ? _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.pdbx_wavelength_list ? _diffrn_radiation.pdbx_wavelength ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_analyzer ? _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.0 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.current ? _diffrn_source.details ? _diffrn_source.diffrn_id 1 _diffrn_source.power ? _diffrn_source.size ? _diffrn_source.source SYNCHROTRON _diffrn_source.target ? _diffrn_source.type 'APS BEAMLINE 23-ID-B' _diffrn_source.voltage ? _diffrn_source.take-off_angle ? _diffrn_source.pdbx_wavelength_list 1.0 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_beamline 23-ID-B _diffrn_source.pdbx_synchrotron_site APS # _reflns.B_iso_Wilson_estimate ? _reflns.entry_id 5HBT _reflns.data_reduction_details ? _reflns.data_reduction_method ? _reflns.d_resolution_high 2.250 _reflns.d_resolution_low 50.000 _reflns.details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.number_all ? _reflns.number_obs 36729 _reflns.observed_criterion ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.observed_criterion_I_max ? _reflns.observed_criterion_I_min ? _reflns.observed_criterion_sigma_F ? _reflns.observed_criterion_sigma_I ? _reflns.percent_possible_obs 94.800 _reflns.R_free_details ? _reflns.Rmerge_F_all ? _reflns.Rmerge_F_obs ? _reflns.Friedel_coverage ? _reflns.number_gt ? _reflns.threshold_expression ? _reflns.pdbx_redundancy 3.500 _reflns.pdbx_Rmerge_I_obs 0.117 _reflns.pdbx_Rmerge_I_all ? _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_av_sigmaI 9.644 _reflns.pdbx_netI_over_sigmaI 6.100 _reflns.pdbx_res_netI_over_av_sigmaI_2 ? _reflns.pdbx_res_netI_over_sigmaI_2 ? _reflns.pdbx_chi_squared 1.423 _reflns.pdbx_scaling_rejects ? _reflns.pdbx_d_res_high_opt ? _reflns.pdbx_d_res_low_opt ? _reflns.pdbx_d_res_opt_method ? _reflns.phase_calculation_details ? _reflns.pdbx_Rrim_I_all 0.127 _reflns.pdbx_Rpim_I_all 0.093 _reflns.pdbx_d_opt ? _reflns.pdbx_number_measured_all 127914 _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.pdbx_CC_half ? _reflns.pdbx_R_split ? # loop_ _reflns_shell.d_res_high _reflns_shell.d_res_low _reflns_shell.meanI_over_sigI_all _reflns_shell.meanI_over_sigI_obs _reflns_shell.number_measured_all _reflns_shell.number_measured_obs _reflns_shell.number_possible _reflns_shell.number_unique_all _reflns_shell.number_unique_obs _reflns_shell.percent_possible_all _reflns_shell.percent_possible_obs _reflns_shell.Rmerge_F_all _reflns_shell.Rmerge_F_obs _reflns_shell.Rmerge_I_all _reflns_shell.Rmerge_I_obs _reflns_shell.meanI_over_sigI_gt _reflns_shell.meanI_over_uI_all _reflns_shell.meanI_over_uI_gt _reflns_shell.number_measured_gt _reflns_shell.number_unique_gt _reflns_shell.percent_possible_gt _reflns_shell.Rmerge_F_gt _reflns_shell.Rmerge_I_gt _reflns_shell.pdbx_redundancy _reflns_shell.pdbx_Rsym_value _reflns_shell.pdbx_chi_squared _reflns_shell.pdbx_netI_over_sigmaI_all _reflns_shell.pdbx_netI_over_sigmaI_obs _reflns_shell.pdbx_Rrim_I_all _reflns_shell.pdbx_Rpim_I_all _reflns_shell.pdbx_rejects _reflns_shell.pdbx_ordinal _reflns_shell.pdbx_diffrn_id _reflns_shell.pdbx_CC_half _reflns_shell.pdbx_R_split 2.250 2.290 ? ? ? ? ? ? ? 57.800 ? ? ? ? ? ? ? ? ? ? ? ? ? 2.100 ? 0.917 ? ? ? ? ? 1 1 0.280 ? 2.290 2.330 ? ? ? ? ? ? ? 69.300 ? ? ? ? ? ? ? ? ? ? ? ? ? 2.200 ? 0.924 ? ? ? 0.860 ? 2 1 0.405 ? 2.330 2.380 ? ? ? ? ? ? ? 80.600 ? ? ? ? ? ? ? ? ? ? ? ? ? 2.500 ? 0.895 ? ? ? 0.931 ? 3 1 0.391 ? 2.380 2.420 ? ? ? ? ? ? ? 90.900 ? ? ? ? ? ? ? ? ? ? ? ? ? 2.800 ? 0.927 ? ? ? 0.947 ? 4 1 0.417 ? 2.420 2.480 ? ? ? ? ? ? ? 97.700 ? ? ? ? ? ? ? ? ? ? ? ? ? 3.100 ? 0.919 ? ? ? 0.881 ? 5 1 0.478 ? 2.480 2.530 ? ? ? ? ? ? ? 99.500 ? ? ? ? ? ? ? ? ? ? ? ? ? 3.400 ? 0.983 ? ? ? 0.782 ? 6 1 0.548 ? 2.530 2.600 ? ? ? ? ? ? ? 99.900 ? ? ? ? ? ? ? ? ? ? ? ? ? 3.600 ? 0.997 ? ? ? 0.691 ? 7 1 0.588 ? 2.600 2.670 ? ? ? ? ? ? ? 100.000 ? ? ? ? 0.979 ? ? ? ? ? ? ? ? 3.700 ? 1.076 ? ? ? 0.593 ? 8 1 0.573 ? 2.670 2.750 ? ? ? ? ? ? ? 100.000 ? ? ? ? 0.754 ? ? ? ? ? ? ? ? 3.800 ? 1.014 ? ? 0.880 0.452 ? 9 1 0.742 ? 2.750 2.830 ? ? ? ? ? ? ? 100.000 ? ? ? ? 0.596 ? ? ? ? ? ? ? ? 3.800 ? 1.120 ? ? 0.695 0.356 ? 10 1 0.814 ? 2.830 2.940 ? ? ? ? ? ? ? 100.000 ? ? ? ? 0.453 ? ? ? ? ? ? ? ? 3.800 ? 1.170 ? ? 0.528 0.271 ? 11 1 0.879 ? 2.940 3.050 ? ? ? ? ? ? ? 99.900 ? ? ? ? 0.338 ? ? ? ? ? ? ? ? 3.800 ? 1.304 ? ? 0.394 0.202 ? 12 1 0.934 ? 3.050 3.190 ? ? ? ? ? ? ? 100.000 ? ? ? ? 0.250 ? ? ? ? ? ? ? ? 3.800 ? 1.486 ? ? 0.292 0.150 ? 13 1 0.952 ? 3.190 3.360 ? ? ? ? ? ? ? 100.000 ? ? ? ? 0.186 ? ? ? ? ? ? ? ? 3.800 ? 1.616 ? ? 0.217 0.111 ? 14 1 0.975 ? 3.360 3.570 ? ? ? ? ? ? ? 100.000 ? ? ? ? 0.135 ? ? ? ? ? ? ? ? 3.800 ? 1.771 ? ? 0.158 0.081 ? 15 1 0.986 ? 3.570 3.850 ? ? ? ? ? ? ? 100.000 ? ? ? ? 0.097 ? ? ? ? ? ? ? ? 3.700 ? 1.883 ? ? 0.114 0.059 ? 16 1 0.989 ? 3.850 4.230 ? ? ? ? ? ? ? 100.000 ? ? ? ? 0.076 ? ? ? ? ? ? ? ? 3.700 ? 1.970 ? ? 0.089 0.046 ? 17 1 0.993 ? 4.230 4.850 ? ? ? ? ? ? ? 100.000 ? ? ? ? 0.059 ? ? ? ? ? ? ? ? 3.700 ? 2.334 ? ? 0.070 0.036 ? 18 1 0.995 ? 4.850 6.100 ? ? ? ? ? ? ? 100.000 ? ? ? ? 0.051 ? ? ? ? ? ? ? ? 3.700 ? 1.895 ? ? 0.060 0.031 ? 19 1 0.996 ? 6.100 50.000 ? ? ? ? ? ? ? 99.600 ? ? ? ? 0.038 ? ? ? ? ? ? ? ? 3.500 ? 1.825 ? ? 0.045 0.024 ? 20 1 0.997 ? # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 5HBT _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.ls_number_reflns_obs 23958 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 50.01 _refine.ls_d_res_high 2.61 _refine.ls_percent_reflns_obs 99.49 _refine.ls_R_factor_obs 0.20959 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.20697 _refine.ls_R_factor_R_free 0.25995 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 4.9 _refine.ls_number_reflns_R_free 1231 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.940 _refine.correlation_coeff_Fo_to_Fc_free 0.908 _refine.B_iso_mean 56.344 _refine.aniso_B[1][1] 3.41 _refine.aniso_B[2][2] 0.13 _refine.aniso_B[3][3] -2.87 _refine.aniso_B[1][2] 0.00 _refine.aniso_B[1][3] 0.81 _refine.aniso_B[2][3] -0.00 _refine.solvent_model_details MASK _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.20 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' _refine.pdbx_starting_model ? _refine.pdbx_method_to_determine_struct ? _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R 1.458 _refine.pdbx_overall_ESU_R_Free 0.339 _refine.overall_SU_ML 0.274 _refine.pdbx_overall_phase_error ? _refine.overall_SU_B 27.128 _refine.overall_SU_R_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id 1 _refine_hist.pdbx_number_atoms_protein 5577 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 105 _refine_hist.number_atoms_solvent 102 _refine_hist.number_atoms_total 5784 _refine_hist.d_res_high 2.61 _refine_hist.d_res_low 50.01 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function r_bond_refined_d 0.008 0.020 ? 5840 'X-RAY DIFFRACTION' ? r_bond_other_d 0.001 0.020 ? 5177 'X-RAY DIFFRACTION' ? r_angle_refined_deg 1.341 1.969 ? 7981 'X-RAY DIFFRACTION' ? r_angle_other_deg 0.909 3.000 ? 12115 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 7.233 5.000 ? 713 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg 35.988 24.402 ? 234 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 15.820 15.000 ? 931 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg 14.222 15.000 ? 24 'X-RAY DIFFRACTION' ? r_chiral_restr 0.076 0.200 ? 928 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.004 0.021 ? 6313 'X-RAY DIFFRACTION' ? r_gen_planes_other 0.001 0.020 ? 1124 'X-RAY DIFFRACTION' ? r_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcbond_it 1.287 4.225 ? 2864 'X-RAY DIFFRACTION' ? r_mcbond_other 1.287 4.224 ? 2863 'X-RAY DIFFRACTION' ? r_mcangle_it 2.349 6.329 ? 3573 'X-RAY DIFFRACTION' ? r_mcangle_other 2.349 6.330 ? 3574 'X-RAY DIFFRACTION' ? r_scbond_it 1.020 4.294 ? 2976 'X-RAY DIFFRACTION' ? r_scbond_other 1.020 4.294 ? 2976 'X-RAY DIFFRACTION' ? r_scangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? r_scangle_other 1.859 6.424 ? 4408 'X-RAY DIFFRACTION' ? r_long_range_B_refined 3.732 47.419 ? 5947 'X-RAY DIFFRACTION' ? r_long_range_B_other 3.714 47.405 ? 5941 'X-RAY DIFFRACTION' ? r_rigid_bond_restr ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_free ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_bonded ? ? ? ? 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.d_res_high 2.608 _refine_ls_shell.d_res_low 2.675 _refine_ls_shell.number_reflns_R_work 1633 _refine_ls_shell.R_factor_R_work 0.320 _refine_ls_shell.percent_reflns_obs 93.96 _refine_ls_shell.R_factor_R_free 0.350 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 93 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.R_factor_obs ? _refine_ls_shell.number_reflns_obs ? # _struct.entry_id 5HBT _struct.title 'Complex structure of Fab35 and human nAChR alpha1' _struct.pdbx_descriptor 'Acetylcholine receptor subunit alpha 1, Fab35, Light Chain, Fab35, Heavy Chain, Alpha-bungarotoxin isoform V31' _struct.pdbx_model_details ? _struct.pdbx_formula_weight ? _struct.pdbx_formula_weight_method ? _struct.pdbx_model_type_details ? _struct.pdbx_CASP_flag N # _struct_keywords.entry_id 5HBT _struct_keywords.text 'nicotinic acetylcholine receptor alpha1, Fab35, Complex, Myasthenia Gravis, TRANSPORT PROTEIN-TOXIN complex' _struct_keywords.pdbx_keywords 'TRANSPORT PROTEIN/TOXIN' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 3 ? D N N 4 ? E N N 5 ? F N N 5 ? G N N 6 ? H N N 7 ? I N N 7 ? J N N 7 ? K N N 7 ? L N N 7 ? M N N 7 ? N N N 8 ? O N N 8 ? P N N 8 ? Q N N 8 ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 AA1 LYS A 1 ? LYS A 14 ? LYS B 0 LYS B 13 1 ? 14 HELX_P HELX_P2 AA2 TYR A 64 ? LYS A 67 ? TYR B 63 LYS B 66 5 ? 4 HELX_P HELX_P3 AA3 ASN A 69 ? GLY A 74 ? ASN B 68 GLY B 73 5 ? 6 HELX_P HELX_P4 AA4 GLU A 84 ? ILE A 86 ? GLU B 83 ILE B 85 5 ? 3 HELX_P HELX_P5 AA5 SER B 120 ? ALA B 125 ? SER C 120 ALA C 125 1 ? 6 HELX_P HELX_P6 AA6 LYS B 182 ? SER B 187 ? LYS C 182 SER C 187 1 ? 6 HELX_P HELX_P7 AA7 SER C 61 ? SER C 65 ? SER D 61 SER D 65 5 ? 5 HELX_P HELX_P8 AA8 THR C 73 ? LYS C 75 ? THR D 73 LYS D 75 5 ? 3 HELX_P HELX_P9 AA9 GLN C 86 ? ASP C 89 ? GLN D 86 ASP D 89 5 ? 4 HELX_P HELX_P10 AB1 LEU C 166 ? SER C 168 ? LEU D 166 SER D 168 5 ? 3 HELX_P HELX_P11 AB2 SER C 193 ? GLN C 198 ? SER D 193 GLN D 198 1 ? 6 HELX_P HELX_P12 AB3 PRO C 207 ? GLN C 210 ? PRO D 207 GLN D 210 5 ? 4 HELX_P HELX_P13 AB4 PHE D 32 ? GLY D 37 ? PHE A 32 GLY A 37 1 ? 6 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 129 SG ? ? ? 1_555 A CYS 143 SG ? ? B CYS 128 B CYS 142 1_555 ? ? ? ? ? ? ? 2.052 ? disulf2 disulf ? ? A CYS 193 SG ? ? ? 1_555 A CYS 194 SG ? ? B CYS 192 B CYS 193 1_555 ? ? ? ? ? ? ? 2.063 ? disulf3 disulf ? ? B CYS 23 SG ? ? ? 1_555 B CYS 88 SG ? ? C CYS 23 C CYS 88 1_555 ? ? ? ? ? ? ? 2.083 ? disulf4 disulf ? ? B CYS 133 SG ? ? ? 1_555 B CYS 193 SG ? ? C CYS 133 C CYS 193 1_555 ? ? ? ? ? ? ? 2.048 ? disulf5 disulf ? ? C CYS 22 SG ? ? ? 1_555 C CYS 95 SG ? ? D CYS 22 D CYS 95 1_555 ? ? ? ? ? ? ? 2.058 ? disulf6 disulf ? ? C CYS 147 SG ? ? ? 1_555 C CYS 202 SG ? ? D CYS 147 D CYS 202 1_555 ? ? ? ? ? ? ? 2.030 ? disulf7 disulf ? ? D CYS 3 SG ? ? ? 1_555 D CYS 23 SG ? ? A CYS 3 A CYS 23 1_555 ? ? ? ? ? ? ? 2.044 ? disulf8 disulf ? ? D CYS 3 SG ? ? ? 1_555 D CYS 16 SG ? ? A CYS 3 A CYS 16 1_555 ? ? ? ? ? ? ? 2.068 ? disulf9 disulf ? ? D CYS 16 SG ? ? ? 1_555 D CYS 44 SG ? ? A CYS 16 A CYS 44 1_555 ? ? ? ? ? ? ? 2.039 ? disulf10 disulf ? ? D CYS 29 SG ? ? ? 1_555 D CYS 33 SG ? ? A CYS 29 A CYS 33 1_555 ? ? ? ? ? ? ? 2.070 ? disulf11 disulf ? ? D CYS 48 SG ? ? ? 1_555 D CYS 59 SG ? ? A CYS 48 A CYS 59 1_555 ? ? ? ? ? ? ? 2.042 ? disulf12 disulf ? ? D CYS 60 SG ? ? ? 1_555 D CYS 65 SG ? ? A CYS 60 A CYS 65 1_555 ? ? ? ? ? ? ? 2.033 ? covale1 covale one ? A ASN 142 ND2 ? ? ? 1_555 E NAG . C1 ? ? B ASN 141 B NAG 301 1_555 ? ? ? ? ? ? ? 1.434 ? covale2 covale both ? E NAG . O4 ? ? ? 1_555 F NAG . C1 ? ? B NAG 301 B NAG 302 1_555 ? ? ? ? ? ? ? 1.435 ? covale3 covale both ? F NAG . O4 ? ? ? 1_555 G BMA . C1 ? ? B NAG 302 B BMA 303 1_555 ? ? ? ? ? ? ? 1.431 ? covale4 covale one ? G BMA . O3 ? ? ? 1_555 H MAN . C1 ? ? B BMA 303 B MAN 304 1_555 ? ? ? ? ? ? ? 1.446 ? covale5 covale one ? G BMA . O6 ? ? ? 1_555 K MAN . C1 ? ? B BMA 303 B MAN 307 1_555 ? ? ? ? ? ? ? 1.439 ? covale6 covale one ? H MAN . O2 ? ? ? 1_555 I MAN . C1 ? ? B MAN 304 B MAN 305 1_555 ? ? ? ? ? ? ? 1.449 ? covale7 covale one ? I MAN . O2 ? ? ? 1_555 J MAN . C1 ? ? B MAN 305 B MAN 306 1_555 ? ? ? ? ? ? ? 1.448 ? covale8 covale one ? K MAN . O3 ? ? ? 1_555 M MAN . C1 ? ? B MAN 307 B MAN 309 1_555 ? ? ? ? ? ? ? 1.450 ? covale9 covale one ? K MAN . O6 ? ? ? 1_555 L MAN . C1 ? ? B MAN 307 B MAN 308 1_555 ? ? ? ? ? ? ? 1.447 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # loop_ _struct_mon_prot_cis.pdbx_id _struct_mon_prot_cis.label_comp_id _struct_mon_prot_cis.label_seq_id _struct_mon_prot_cis.label_asym_id _struct_mon_prot_cis.label_alt_id _struct_mon_prot_cis.pdbx_PDB_ins_code _struct_mon_prot_cis.auth_comp_id _struct_mon_prot_cis.auth_seq_id _struct_mon_prot_cis.auth_asym_id _struct_mon_prot_cis.pdbx_label_comp_id_2 _struct_mon_prot_cis.pdbx_label_seq_id_2 _struct_mon_prot_cis.pdbx_label_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_ins_code_2 _struct_mon_prot_cis.pdbx_auth_comp_id_2 _struct_mon_prot_cis.pdbx_auth_seq_id_2 _struct_mon_prot_cis.pdbx_auth_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_model_num _struct_mon_prot_cis.pdbx_omega_angle 1 SER 7 B . ? SER 7 C PRO 8 B ? PRO 8 C 1 -10.70 2 TYR 139 B . ? TYR 139 C PRO 140 B ? PRO 140 C 1 4.73 3 PHE 153 C . ? PHE 153 D PRO 154 C ? PRO 154 D 1 -8.67 4 GLU 155 C . ? GLU 155 D PRO 156 C ? PRO 156 D 1 6.54 5 SER 9 D . ? SER 9 A PRO 10 D ? PRO 10 A 1 -0.04 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA1 ? 5 ? AA2 ? 6 ? AA3 ? 3 ? AA4 ? 7 ? AA5 ? 4 ? AA6 ? 6 ? AA7 ? 4 ? AA8 ? 4 ? AA9 ? 4 ? AB1 ? 4 ? AB2 ? 6 ? AB3 ? 4 ? AB4 ? 4 ? AB5 ? 4 ? AB6 ? 3 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense AA1 1 2 ? anti-parallel AA1 2 3 ? anti-parallel AA1 3 4 ? anti-parallel AA1 4 5 ? anti-parallel AA2 1 2 ? anti-parallel AA2 2 3 ? anti-parallel AA2 3 4 ? anti-parallel AA2 4 5 ? anti-parallel AA2 5 6 ? parallel AA3 1 2 ? anti-parallel AA3 2 3 ? anti-parallel AA4 1 2 ? anti-parallel AA4 2 3 ? anti-parallel AA4 3 4 ? anti-parallel AA4 4 5 ? anti-parallel AA4 5 6 ? anti-parallel AA4 6 7 ? anti-parallel AA5 1 2 ? anti-parallel AA5 2 3 ? anti-parallel AA5 3 4 ? anti-parallel AA6 1 2 ? parallel AA6 2 3 ? anti-parallel AA6 3 4 ? anti-parallel AA6 4 5 ? anti-parallel AA6 5 6 ? anti-parallel AA7 1 2 ? parallel AA7 2 3 ? anti-parallel AA7 3 4 ? anti-parallel AA8 1 2 ? anti-parallel AA8 2 3 ? anti-parallel AA8 3 4 ? anti-parallel AA9 1 2 ? anti-parallel AA9 2 3 ? anti-parallel AA9 3 4 ? anti-parallel AB1 1 2 ? anti-parallel AB1 2 3 ? anti-parallel AB1 3 4 ? anti-parallel AB2 1 2 ? parallel AB2 2 3 ? anti-parallel AB2 3 4 ? anti-parallel AB2 4 5 ? anti-parallel AB2 5 6 ? anti-parallel AB3 1 2 ? parallel AB3 2 3 ? anti-parallel AB3 3 4 ? anti-parallel AB4 1 2 ? anti-parallel AB4 2 3 ? anti-parallel AB4 3 4 ? anti-parallel AB5 1 2 ? anti-parallel AB5 2 3 ? anti-parallel AB5 3 4 ? anti-parallel AB6 1 2 ? anti-parallel AB6 2 3 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id AA1 1 LYS A 78 ? PRO A 82 ? LYS B 77 PRO B 81 AA1 2 LYS A 108 ? GLN A 112 ? LYS B 107 GLN B 111 AA1 3 HIS A 116 ? TRP A 119 ? HIS B 115 TRP B 118 AA1 4 ILE A 50 ? VAL A 62 ? ILE B 49 VAL B 61 AA1 5 PRO A 122 ? TYR A 128 ? PRO B 121 TYR B 127 AA2 1 LYS A 78 ? PRO A 82 ? LYS B 77 PRO B 81 AA2 2 LYS A 108 ? GLN A 112 ? LYS B 107 GLN B 111 AA2 3 HIS A 116 ? TRP A 119 ? HIS B 115 TRP B 118 AA2 4 ILE A 50 ? VAL A 62 ? ILE B 49 VAL B 61 AA2 5 VAL A 30 ? ASP A 45 ? VAL B 29 ASP B 44 AA2 6 VAL A 157 ? PRO A 161 ? VAL B 156 PRO B 160 AA3 1 LEU A 91 ? TYR A 94 ? LEU B 90 TYR B 93 AA3 2 GLU A 140 ? THR A 149 ? GLU B 139 THR B 148 AA3 3 GLU A 130 ? ILE A 131 ? GLU B 129 ILE B 130 AA4 1 LEU A 91 ? TYR A 94 ? LEU B 90 TYR B 93 AA4 2 GLU A 140 ? THR A 149 ? GLU B 139 THR B 148 AA4 3 TYR A 199 ? ARG A 210 ? TYR B 198 ARG B 209 AA4 4 TRP A 177 ? TYR A 191 ? TRP B 176 TYR B 190 AA4 5 VAL D 39 ? ALA D 45 ? VAL A 39 ALA A 45 AA4 6 LEU D 22 ? TRP D 28 ? LEU A 22 TRP A 28 AA4 7 GLU D 56 ? CYS D 60 ? GLU A 56 CYS A 60 AA5 1 ILE B 4 ? SER B 7 ? ILE C 4 SER C 7 AA5 2 VAL B 19 ? GLY B 25 ? VAL C 19 GLY C 25 AA5 3 ASP B 70 ? ILE B 75 ? ASP C 70 ILE C 75 AA5 4 PHE B 62 ? SER B 67 ? PHE C 62 SER C 67 AA6 1 LEU B 10 ? ALA B 13 ? LEU C 10 ALA C 13 AA6 2 THR B 101 ? LEU B 105 ? THR C 101 LEU C 105 AA6 3 THR B 85 ? GLN B 90 ? THR C 85 GLN C 90 AA6 4 LEU B 33 ? GLN B 38 ? LEU C 33 GLN C 38 AA6 5 LYS B 45 ? TYR B 49 ? LYS C 45 TYR C 49 AA6 6 SER B 53 ? LEU B 54 ? SER C 53 LEU C 54 AA7 1 LEU B 10 ? ALA B 13 ? LEU C 10 ALA C 13 AA7 2 THR B 101 ? LEU B 105 ? THR C 101 LEU C 105 AA7 3 THR B 85 ? GLN B 90 ? THR C 85 GLN C 90 AA7 4 THR B 96 ? PHE B 97 ? THR C 96 PHE C 97 AA8 1 THR B 113 ? PHE B 117 ? THR C 113 PHE C 117 AA8 2 GLY B 128 ? PHE B 138 ? GLY C 128 PHE C 138 AA8 3 TYR B 172 ? THR B 181 ? TYR C 172 THR C 181 AA8 4 VAL B 158 ? VAL B 162 ? VAL C 158 VAL C 162 AA9 1 THR B 152 ? ARG B 154 ? THR C 152 ARG C 154 AA9 2 ILE B 143 ? ILE B 149 ? ILE C 143 ILE C 149 AA9 3 LEU B 190 ? HIS B 197 ? LEU C 190 HIS C 197 AA9 4 VAL B 204 ? ASN B 209 ? VAL C 204 ASN C 209 AB1 1 GLN C 3 ? SER C 7 ? GLN D 3 SER D 7 AB1 2 LEU C 18 ? SER C 25 ? LEU D 18 SER D 25 AB1 3 GLN C 77 ? MET C 82 ? GLN D 77 MET D 82 AB1 4 LEU C 67 ? ASP C 72 ? LEU D 67 ASP D 72 AB2 1 LEU C 11 ? VAL C 12 ? LEU D 11 VAL D 12 AB2 2 THR C 114 ? VAL C 118 ? THR D 114 VAL D 118 AB2 3 GLY C 91 ? ILE C 101 ? GLY D 91 ILE D 101 AB2 4 SER C 33 ? PRO C 40 ? SER D 33 PRO D 40 AB2 5 GLU C 46 ? MET C 51 ? GLU D 46 MET D 51 AB2 6 THR C 57 ? TYR C 59 ? THR D 57 TYR D 59 AB3 1 LEU C 11 ? VAL C 12 ? LEU D 11 VAL D 12 AB3 2 THR C 114 ? VAL C 118 ? THR D 114 VAL D 118 AB3 3 GLY C 91 ? ILE C 101 ? GLY D 91 ILE D 101 AB3 4 ILE C 104 ? TRP C 110 ? ILE D 104 TRP D 110 AB4 1 SER C 127 ? LEU C 131 ? SER D 127 LEU D 131 AB4 2 VAL C 143 ? TYR C 152 ? VAL D 143 TYR D 152 AB4 3 TYR C 182 ? VAL C 190 ? TYR D 182 VAL D 190 AB4 4 VAL C 170 ? THR C 172 ? VAL D 170 THR D 172 AB5 1 SER C 127 ? LEU C 131 ? SER D 127 LEU D 131 AB5 2 VAL C 143 ? TYR C 152 ? VAL D 143 TYR D 152 AB5 3 TYR C 182 ? VAL C 190 ? TYR D 182 VAL D 190 AB5 4 VAL C 176 ? LEU C 177 ? VAL D 176 LEU D 177 AB6 1 THR C 158 ? TRP C 161 ? THR D 158 TRP D 161 AB6 2 THR C 201 ? HIS C 206 ? THR D 201 HIS D 206 AB6 3 HIS C 211 ? ARG C 216 ? HIS D 211 ARG D 216 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id AA1 1 2 N ILE A 79 ? N ILE B 78 O LEU A 111 ? O LEU B 110 AA1 2 3 N LEU A 110 ? N LEU B 109 O THR A 118 ? O THR B 117 AA1 3 4 O ILE A 117 ? O ILE B 116 N TRP A 61 ? N TRP B 60 AA1 4 5 N VAL A 55 ? N VAL B 54 O ALA A 123 ? O ALA B 122 AA2 1 2 N ILE A 79 ? N ILE B 78 O LEU A 111 ? O LEU B 110 AA2 2 3 N LEU A 110 ? N LEU B 109 O THR A 118 ? O THR B 117 AA2 3 4 O ILE A 117 ? O ILE B 116 N TRP A 61 ? N TRP B 60 AA2 4 5 O ARG A 56 ? O ARG B 55 N GLN A 37 ? N GLN B 36 AA2 5 6 N VAL A 34 ? N VAL B 33 O ASN A 160 ? O ASN B 159 AA3 1 2 N VAL A 92 ? N VAL B 91 O GLY A 148 ? O GLY B 147 AA3 2 3 O ASN A 142 ? O ASN B 141 N GLU A 130 ? N GLU B 129 AA4 1 2 N VAL A 92 ? N VAL B 91 O GLY A 148 ? O GLY B 147 AA4 2 3 N LEU A 147 ? N LEU B 146 O ILE A 202 ? O ILE B 201 AA4 3 4 O ASP A 201 ? O ASP B 200 N HIS A 187 ? N HIS B 186 AA4 4 5 N THR A 190 ? N THR B 189 O VAL D 40 ? O VAL A 40 AA4 5 6 O VAL D 39 ? O VAL A 39 N TRP D 28 ? N TRP A 28 AA4 6 7 N MET D 27 ? N MET A 27 O GLU D 56 ? O GLU A 56 AA5 1 2 N SER B 7 ? N SER C 7 O THR B 22 ? O THR C 22 AA5 2 3 N LEU B 21 ? N LEU C 21 O LEU B 73 ? O LEU C 73 AA5 3 4 O THR B 74 ? O THR C 74 N SER B 63 ? N SER C 63 AA6 1 2 N LEU B 11 ? N LEU C 11 O GLU B 104 ? O GLU C 104 AA6 2 3 O THR B 101 ? O THR C 101 N TYR B 86 ? N TYR C 86 AA6 3 4 O TYR B 89 ? O TYR C 89 N ALA B 34 ? N ALA C 34 AA6 4 5 N TRP B 35 ? N TRP C 35 O LEU B 47 ? O LEU C 47 AA6 5 6 N TYR B 49 ? N TYR C 49 O SER B 53 ? O SER C 53 AA7 1 2 N LEU B 11 ? N LEU C 11 O GLU B 104 ? O GLU C 104 AA7 2 3 O THR B 101 ? O THR C 101 N TYR B 86 ? N TYR C 86 AA7 3 4 N GLN B 90 ? N GLN C 90 O THR B 96 ? O THR C 96 AA8 1 2 N SER B 115 ? N SER C 115 O LEU B 134 ? O LEU C 134 AA8 2 3 N VAL B 131 ? N VAL C 131 O LEU B 178 ? O LEU C 178 AA8 3 4 O THR B 177 ? O THR C 177 N LEU B 159 ? N LEU C 159 AA9 1 2 O THR B 152 ? O THR C 152 N ILE B 149 ? N ILE C 149 AA9 2 3 N SER B 144 ? N SER C 144 O VAL B 196 ? O VAL C 196 AA9 3 4 N CYS B 193 ? N CYS C 193 O LYS B 206 ? O LYS C 206 AB1 1 2 N GLN C 5 ? N GLN D 5 O THR C 23 ? O THR D 23 AB1 2 3 N CYS C 22 ? N CYS D 22 O VAL C 78 ? O VAL D 78 AB1 3 4 O PHE C 79 ? O PHE D 79 N SER C 70 ? N SER D 70 AB2 1 2 N VAL C 12 ? N VAL D 12 O THR C 117 ? O THR D 117 AB2 2 3 O VAL C 116 ? O VAL D 116 N GLY C 91 ? N GLY D 91 AB2 3 4 O THR C 92 ? O THR D 92 N GLN C 39 ? N GLN D 39 AB2 4 5 N VAL C 34 ? N VAL D 34 O MET C 51 ? O MET D 51 AB2 5 6 N ARG C 50 ? N ARG D 50 O VAL C 58 ? O VAL D 58 AB3 1 2 N VAL C 12 ? N VAL D 12 O THR C 117 ? O THR D 117 AB3 2 3 O VAL C 116 ? O VAL D 116 N GLY C 91 ? N GLY D 91 AB3 3 4 N GLU C 99 ? N GLU D 99 O TRP C 106 ? O TRP D 106 AB4 1 2 N SER C 127 ? N SER D 127 O LYS C 150 ? O LYS D 150 AB4 2 3 N VAL C 149 ? N VAL D 149 O LEU C 184 ? O LEU D 184 AB4 3 4 O SER C 187 ? O SER D 187 N HIS C 171 ? N HIS D 171 AB5 1 2 N SER C 127 ? N SER D 127 O LYS C 150 ? O LYS D 150 AB5 2 3 N VAL C 149 ? N VAL D 149 O LEU C 184 ? O LEU D 184 AB5 3 4 O THR C 183 ? O THR D 183 N VAL C 176 ? N VAL D 176 AB6 1 2 N THR C 160 ? N THR D 160 O ASN C 203 ? O ASN D 203 AB6 2 3 N VAL C 204 ? N VAL D 204 O ARG C 213 ? O ARG D 213 # _struct_site.id AC1 _struct_site.pdbx_evidence_code Software _struct_site.pdbx_auth_asym_id B _struct_site.pdbx_auth_comp_id ASN _struct_site.pdbx_auth_seq_id 141 _struct_site.pdbx_auth_ins_code ? _struct_site.pdbx_num_residues 13 _struct_site.details 'binding site for Poly-Saccharide residues NAG B 301 through MAN B 309 bound to ASN B 141' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 13 THR D 6 ? THR A 6 . ? 1_555 ? 2 AC1 13 ALA D 7 ? ALA A 7 . ? 1_555 ? 3 AC1 13 THR D 8 ? THR A 8 . ? 1_555 ? 4 AC1 13 GLU D 41 ? GLU A 41 . ? 1_555 ? 5 AC1 13 LEU D 42 ? LEU A 42 . ? 1_555 ? 6 AC1 13 ASN A 142 ? ASN B 141 . ? 1_555 ? 7 AC1 13 TRP A 185 ? TRP B 184 . ? 1_555 ? 8 AC1 13 LYS A 186 ? LYS B 185 . ? 1_555 ? 9 AC1 13 HIS A 187 ? HIS B 186 . ? 1_555 ? 10 AC1 13 THR A 203 ? THR B 202 . ? 1_555 ? 11 AC1 13 HOH N . ? HOH B 419 . ? 1_555 ? 12 AC1 13 HOH N . ? HOH B 426 . ? 1_555 ? 13 AC1 13 HOH N . ? HOH B 430 . ? 1_555 ? # _atom_sites.entry_id 5HBT _atom_sites.fract_transf_matrix[1][1] 0.006250 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.003191 _atom_sites.fract_transf_matrix[2][1] -0.000000 _atom_sites.fract_transf_matrix[2][2] 0.023729 _atom_sites.fract_transf_matrix[2][3] 0.000000 _atom_sites.fract_transf_matrix[3][1] 0.000000 _atom_sites.fract_transf_matrix[3][2] -0.000000 _atom_sites.fract_transf_matrix[3][3] 0.008226 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C N O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . LYS A 1 1 ? 44.704 -5.962 31.845 1.00 60.95 ? 0 LYS B N 1 ATOM 2 C CA . LYS A 1 1 ? 45.983 -6.594 32.289 1.00 60.97 ? 0 LYS B CA 1 ATOM 3 C C . LYS A 1 1 ? 46.216 -7.905 31.524 1.00 59.08 ? 0 LYS B C 1 ATOM 4 O O . LYS A 1 1 ? 45.310 -8.725 31.398 1.00 58.20 ? 0 LYS B O 1 ATOM 5 C CB . LYS A 1 1 ? 45.951 -6.826 33.811 1.00 62.51 ? 0 LYS B CB 1 ATOM 6 C CG . LYS A 1 1 ? 47.259 -6.534 34.537 1.00 63.79 ? 0 LYS B CG 1 ATOM 7 C CD . LYS A 1 1 ? 48.206 -7.718 34.483 1.00 64.50 ? 0 LYS B CD 1 ATOM 8 C CE . LYS A 1 1 ? 49.569 -7.389 35.069 1.00 66.28 ? 0 LYS B CE 1 ATOM 9 N NZ . LYS A 1 1 ? 50.469 -6.734 34.076 1.00 67.07 ? 0 LYS B NZ 1 ATOM 10 N N . SER A 1 2 ? 47.434 -8.094 31.023 1.00 57.97 ? 1 SER B N 1 ATOM 11 C CA . SER A 1 2 ? 47.740 -9.193 30.109 1.00 56.71 ? 1 SER B CA 1 ATOM 12 C C . SER A 1 2 ? 47.849 -10.553 30.788 1.00 55.34 ? 1 SER B C 1 ATOM 13 O O . SER A 1 2 ? 47.542 -11.563 30.165 1.00 54.60 ? 1 SER B O 1 ATOM 14 C CB . SER A 1 2 ? 49.013 -8.885 29.317 1.00 57.52 ? 1 SER B CB 1 ATOM 15 O OG . SER A 1 2 ? 50.107 -8.676 30.186 1.00 58.75 ? 1 SER B OG 1 ATOM 16 N N . GLU A 1 3 ? 48.316 -10.581 32.037 1.00 55.81 ? 2 GLU B N 1 ATOM 17 C CA . GLU A 1 3 ? 48.210 -11.766 32.916 1.00 56.22 ? 2 GLU B CA 1 ATOM 18 C C . GLU A 1 3 ? 46.780 -12.327 32.885 1.00 53.63 ? 2 GLU B C 1 ATOM 19 O O . GLU A 1 3 ? 46.587 -13.534 32.732 1.00 53.62 ? 2 GLU B O 1 ATOM 20 C CB . GLU A 1 3 ? 48.600 -11.407 34.370 1.00 59.49 ? 2 GLU B CB 1 ATOM 21 C CG . GLU A 1 3 ? 48.627 -12.564 35.388 1.00 62.14 ? 2 GLU B CG 1 ATOM 22 C CD . GLU A 1 3 ? 48.200 -12.157 36.816 1.00 65.49 ? 2 GLU B CD 1 ATOM 23 O OE1 . GLU A 1 3 ? 47.493 -12.954 37.501 1.00 65.33 ? 2 GLU B OE1 1 ATOM 24 O OE2 . GLU A 1 3 ? 48.568 -11.038 37.265 1.00 68.62 ? 2 GLU B OE2 1 ATOM 25 N N . HIS A 1 4 ? 45.788 -11.448 33.022 1.00 50.60 ? 3 HIS B N 1 ATOM 26 C CA . HIS A 1 4 ? 44.382 -11.866 32.985 1.00 49.05 ? 3 HIS B CA 1 ATOM 27 C C . HIS A 1 4 ? 43.942 -12.328 31.598 1.00 47.42 ? 3 HIS B C 1 ATOM 28 O O . HIS A 1 4 ? 43.249 -13.335 31.480 1.00 46.68 ? 3 HIS B O 1 ATOM 29 C CB . HIS A 1 4 ? 43.450 -10.766 33.516 1.00 48.21 ? 3 HIS B CB 1 ATOM 30 C CG . HIS A 1 4 ? 43.623 -10.496 34.975 1.00 48.32 ? 3 HIS B CG 1 ATOM 31 N ND1 . HIS A 1 4 ? 43.679 -11.505 35.913 1.00 48.36 ? 3 HIS B ND1 1 ATOM 32 C CD2 . HIS A 1 4 ? 43.772 -9.338 35.658 1.00 48.20 ? 3 HIS B CD2 1 ATOM 33 C CE1 . HIS A 1 4 ? 43.852 -10.978 37.111 1.00 48.64 ? 3 HIS B CE1 1 ATOM 34 N NE2 . HIS A 1 4 ? 43.910 -9.664 36.984 1.00 48.44 ? 3 HIS B NE2 1 ATOM 35 N N . GLU A 1 5 ? 44.350 -11.603 30.562 1.00 46.91 ? 4 GLU B N 1 ATOM 36 C CA . GLU A 1 5 ? 44.044 -11.991 29.177 1.00 46.59 ? 4 GLU B CA 1 ATOM 37 C C . GLU A 1 5 ? 44.637 -13.366 28.821 1.00 43.62 ? 4 GLU B C 1 ATOM 38 O O . GLU A 1 5 ? 43.947 -14.219 28.273 1.00 41.63 ? 4 GLU B O 1 ATOM 39 C CB . GLU A 1 5 ? 44.512 -10.906 28.194 1.00 49.01 ? 4 GLU B CB 1 ATOM 40 C CG . GLU A 1 5 ? 43.704 -9.608 28.281 1.00 51.75 ? 4 GLU B CG 1 ATOM 41 C CD . GLU A 1 5 ? 44.268 -8.466 27.422 1.00 54.74 ? 4 GLU B CD 1 ATOM 42 O OE1 . GLU A 1 5 ? 45.465 -8.110 27.579 1.00 55.96 ? 4 GLU B OE1 1 ATOM 43 O OE2 . GLU A 1 5 ? 43.503 -7.910 26.588 1.00 56.89 ? 4 GLU B OE2 1 ATOM 44 N N . THR A 1 6 ? 45.903 -13.574 29.173 1.00 42.12 ? 5 THR B N 1 ATOM 45 C CA . THR A 1 6 ? 46.596 -14.846 28.936 1.00 41.14 ? 5 THR B CA 1 ATOM 46 C C . THR A 1 6 ? 45.863 -16.021 29.572 1.00 40.49 ? 5 THR B C 1 ATOM 47 O O . THR A 1 6 ? 45.593 -17.016 28.897 1.00 40.27 ? 5 THR B O 1 ATOM 48 C CB . THR A 1 6 ? 48.048 -14.790 29.459 1.00 40.97 ? 5 THR B CB 1 ATOM 49 O OG1 . THR A 1 6 ? 48.760 -13.812 28.707 1.00 41.21 ? 5 THR B OG1 1 ATOM 50 C CG2 . THR A 1 6 ? 48.770 -16.131 29.335 1.00 40.71 ? 5 THR B CG2 1 ATOM 51 N N . ARG A 1 7 ? 45.555 -15.896 30.863 1.00 39.85 ? 6 ARG B N 1 ATOM 52 C CA . ARG A 1 7 ? 44.790 -16.913 31.578 1.00 39.20 ? 6 ARG B CA 1 ATOM 53 C C . ARG A 1 7 ? 43.424 -17.176 30.937 1.00 38.40 ? 6 ARG B C 1 ATOM 54 O O . ARG A 1 7 ? 42.995 -18.338 30.846 1.00 37.89 ? 6 ARG B O 1 ATOM 55 C CB . ARG A 1 7 ? 44.588 -16.531 33.044 1.00 39.25 ? 6 ARG B CB 1 ATOM 56 C CG . ARG A 1 7 ? 43.889 -17.632 33.822 1.00 39.52 ? 6 ARG B CG 1 ATOM 57 C CD . ARG A 1 7 ? 43.750 -17.353 35.294 1.00 39.89 ? 6 ARG B CD 1 ATOM 58 N NE . ARG A 1 7 ? 45.048 -17.355 35.958 1.00 39.69 ? 6 ARG B NE 1 ATOM 59 C CZ . ARG A 1 7 ? 45.756 -16.271 36.248 1.00 39.97 ? 6 ARG B CZ 1 ATOM 60 N NH1 . ARG A 1 7 ? 45.321 -15.041 35.943 1.00 39.99 ? 6 ARG B NH1 1 ATOM 61 N NH2 . ARG A 1 7 ? 46.925 -16.418 36.855 1.00 40.57 ? 6 ARG B NH2 1 ATOM 62 N N . LEU A 1 8 ? 42.748 -16.113 30.511 1.00 37.88 ? 7 LEU B N 1 ATOM 63 C CA . LEU A 1 8 ? 41.417 -16.248 29.926 1.00 38.44 ? 7 LEU B CA 1 ATOM 64 C C . LEU A 1 8 ? 41.441 -17.153 28.688 1.00 38.86 ? 7 LEU B C 1 ATOM 65 O O . LEU A 1 8 ? 40.676 -18.111 28.606 1.00 38.43 ? 7 LEU B O 1 ATOM 66 C CB . LEU A 1 8 ? 40.826 -14.878 29.584 1.00 38.04 ? 7 LEU B CB 1 ATOM 67 C CG . LEU A 1 8 ? 39.461 -14.884 28.902 1.00 37.92 ? 7 LEU B CG 1 ATOM 68 C CD1 . LEU A 1 8 ? 38.389 -15.489 29.787 1.00 37.87 ? 7 LEU B CD1 1 ATOM 69 C CD2 . LEU A 1 8 ? 39.078 -13.473 28.487 1.00 38.28 ? 7 LEU B CD2 1 ATOM 70 N N . GLU A 1 9 ? 42.352 -16.860 27.766 1.00 39.61 ? 8 GLU B N 1 ATOM 71 C CA . GLU A 1 9 ? 42.467 -17.601 26.514 1.00 40.79 ? 8 GLU B CA 1 ATOM 72 C C . GLU A 1 9 ? 42.768 -19.086 26.758 1.00 40.06 ? 8 GLU B C 1 ATOM 73 O O . GLU A 1 9 ? 42.125 -19.953 26.168 1.00 39.69 ? 8 GLU B O 1 ATOM 74 C CB . GLU A 1 9 ? 43.528 -16.960 25.590 1.00 42.73 ? 8 GLU B CB 1 ATOM 75 C CG . GLU A 1 9 ? 43.319 -17.251 24.103 1.00 44.33 ? 8 GLU B CG 1 ATOM 76 C CD . GLU A 1 9 ? 44.404 -16.668 23.197 1.00 46.20 ? 8 GLU B CD 1 ATOM 77 O OE1 . GLU A 1 9 ? 45.191 -15.802 23.656 1.00 49.33 ? 8 GLU B OE1 1 ATOM 78 O OE2 . GLU A 1 9 ? 44.473 -17.070 22.011 1.00 46.38 ? 8 GLU B OE2 1 ATOM 79 N N . ALA A 1 10 ? 43.714 -19.370 27.648 1.00 39.64 ? 9 ALA B N 1 ATOM 80 C CA . ALA A 1 10 ? 44.048 -20.746 28.014 1.00 40.03 ? 9 ALA B CA 1 ATOM 81 C C . ALA A 1 10 ? 42.849 -21.529 28.565 1.00 40.59 ? 9 ALA B C 1 ATOM 82 O O . ALA A 1 10 ? 42.643 -22.677 28.176 1.00 40.43 ? 9 ALA B O 1 ATOM 83 C CB . ALA A 1 10 ? 45.200 -20.772 29.013 1.00 40.38 ? 9 ALA B CB 1 ATOM 84 N N . LYS A 1 11 ? 42.059 -20.910 29.449 1.00 40.95 ? 10 LYS B N 1 ATOM 85 C CA . LYS A 1 11 ? 40.856 -21.563 30.003 1.00 41.48 ? 10 LYS B CA 1 ATOM 86 C C . LYS A 1 11 ? 39.673 -21.630 29.024 1.00 40.95 ? 10 LYS B C 1 ATOM 87 O O . LYS A 1 11 ? 38.831 -22.526 29.134 1.00 40.71 ? 10 LYS B O 1 ATOM 88 C CB . LYS A 1 11 ? 40.424 -20.900 31.320 1.00 42.52 ? 10 LYS B CB 1 ATOM 89 C CG . LYS A 1 11 ? 41.127 -21.463 32.557 1.00 43.54 ? 10 LYS B CG 1 ATOM 90 C CD . LYS A 1 11 ? 41.604 -20.367 33.488 1.00 44.46 ? 10 LYS B CD 1 ATOM 91 C CE . LYS A 1 11 ? 41.947 -20.909 34.866 1.00 45.71 ? 10 LYS B CE 1 ATOM 92 N NZ . LYS A 1 11 ? 42.934 -22.019 34.842 1.00 46.55 ? 10 LYS B NZ 1 ATOM 93 N N . LEU A 1 12 ? 39.599 -20.684 28.088 1.00 39.95 ? 11 LEU B N 1 ATOM 94 C CA . LEU A 1 12 ? 38.586 -20.724 27.037 1.00 39.55 ? 11 LEU B CA 1 ATOM 95 C C . LEU A 1 12 ? 38.836 -21.885 26.074 1.00 39.77 ? 11 LEU B C 1 ATOM 96 O O . LEU A 1 12 ? 37.880 -22.517 25.608 1.00 38.68 ? 11 LEU B O 1 ATOM 97 C CB . LEU A 1 12 ? 38.549 -19.408 26.240 1.00 38.91 ? 11 LEU B CB 1 ATOM 98 C CG . LEU A 1 12 ? 37.880 -18.170 26.848 1.00 38.65 ? 11 LEU B CG 1 ATOM 99 C CD1 . LEU A 1 12 ? 38.191 -16.931 26.022 1.00 38.43 ? 11 LEU B CD1 1 ATOM 100 C CD2 . LEU A 1 12 ? 36.378 -18.337 26.951 1.00 38.71 ? 11 LEU B CD2 1 ATOM 101 N N . PHE A 1 13 ? 40.114 -22.156 25.793 1.00 40.18 ? 12 PHE B N 1 ATOM 102 C CA . PHE A 1 13 ? 40.509 -23.051 24.700 1.00 40.91 ? 12 PHE B CA 1 ATOM 103 C C . PHE A 1 13 ? 41.158 -24.370 25.120 1.00 42.74 ? 12 PHE B C 1 ATOM 104 O O . PHE A 1 13 ? 41.576 -25.138 24.258 1.00 43.13 ? 12 PHE B O 1 ATOM 105 C CB . PHE A 1 13 ? 41.397 -22.283 23.711 1.00 40.18 ? 12 PHE B CB 1 ATOM 106 C CG . PHE A 1 13 ? 40.624 -21.314 22.867 1.00 39.87 ? 12 PHE B CG 1 ATOM 107 C CD1 . PHE A 1 13 ? 39.808 -21.783 21.847 1.00 39.60 ? 12 PHE B CD1 1 ATOM 108 C CD2 . PHE A 1 13 ? 40.660 -19.945 23.116 1.00 39.90 ? 12 PHE B CD2 1 ATOM 109 C CE1 . PHE A 1 13 ? 39.058 -20.915 21.081 1.00 39.10 ? 12 PHE B CE1 1 ATOM 110 C CE2 . PHE A 1 13 ? 39.910 -19.065 22.344 1.00 39.36 ? 12 PHE B CE2 1 ATOM 111 C CZ . PHE A 1 13 ? 39.112 -19.558 21.329 1.00 39.18 ? 12 PHE B CZ 1 ATOM 112 N N . LYS A 1 14 ? 41.208 -24.656 26.422 1.00 44.77 ? 13 LYS B N 1 ATOM 113 C CA . LYS A 1 14 ? 41.778 -25.919 26.902 1.00 46.57 ? 13 LYS B CA 1 ATOM 114 C C . LYS A 1 14 ? 40.897 -27.097 26.502 1.00 46.01 ? 13 LYS B C 1 ATOM 115 O O . LYS A 1 14 ? 41.416 -28.115 26.061 1.00 46.40 ? 13 LYS B O 1 ATOM 116 C CB . LYS A 1 14 ? 41.956 -25.913 28.434 1.00 48.87 ? 13 LYS B CB 1 ATOM 117 C CG . LYS A 1 14 ? 42.811 -27.052 28.985 1.00 50.18 ? 13 LYS B CG 1 ATOM 118 C CD . LYS A 1 14 ? 42.172 -27.691 30.209 1.00 51.70 ? 13 LYS B CD 1 ATOM 119 C CE . LYS A 1 14 ? 42.955 -28.909 30.683 1.00 53.18 ? 13 LYS B CE 1 ATOM 120 N NZ . LYS A 1 14 ? 42.092 -29.873 31.432 1.00 54.32 ? 13 LYS B NZ 1 ATOM 121 N N . ASP A 1 15 ? 39.582 -26.952 26.688 1.00 45.44 ? 14 ASP B N 1 ATOM 122 C CA . ASP A 1 15 ? 38.599 -28.000 26.367 1.00 45.69 ? 14 ASP B CA 1 ATOM 123 C C . ASP A 1 15 ? 37.689 -27.634 25.169 1.00 43.57 ? 14 ASP B C 1 ATOM 124 O O . ASP A 1 15 ? 36.653 -28.266 24.962 1.00 42.72 ? 14 ASP B O 1 ATOM 125 C CB . ASP A 1 15 ? 37.729 -28.326 27.608 1.00 47.42 ? 14 ASP B CB 1 ATOM 126 C CG . ASP A 1 15 ? 38.555 -28.598 28.884 1.00 48.88 ? 14 ASP B CG 1 ATOM 127 O OD1 . ASP A 1 15 ? 39.430 -29.498 28.877 1.00 49.98 ? 14 ASP B OD1 1 ATOM 128 O OD2 . ASP A 1 15 ? 38.313 -27.909 29.907 1.00 49.97 ? 14 ASP B OD2 1 ATOM 129 N N . TYR A 1 16 ? 38.085 -26.637 24.376 1.00 41.72 ? 15 TYR B N 1 ATOM 130 C CA . TYR A 1 16 ? 37.301 -26.210 23.214 1.00 40.54 ? 15 TYR B CA 1 ATOM 131 C C . TYR A 1 16 ? 37.541 -27.084 21.979 1.00 39.92 ? 15 TYR B C 1 ATOM 132 O O . TYR A 1 16 ? 38.663 -27.486 21.720 1.00 39.38 ? 15 TYR B O 1 ATOM 133 C CB . TYR A 1 16 ? 37.642 -24.762 22.864 1.00 39.38 ? 15 TYR B CB 1 ATOM 134 C CG . TYR A 1 16 ? 36.734 -24.130 21.822 1.00 38.29 ? 15 TYR B CG 1 ATOM 135 C CD1 . TYR A 1 16 ? 35.497 -23.604 22.175 1.00 37.50 ? 15 TYR B CD1 1 ATOM 136 C CD2 . TYR A 1 16 ? 37.128 -24.042 20.482 1.00 37.94 ? 15 TYR B CD2 1 ATOM 137 C CE1 . TYR A 1 16 ? 34.674 -23.014 21.234 1.00 37.47 ? 15 TYR B CE1 1 ATOM 138 C CE2 . TYR A 1 16 ? 36.317 -23.443 19.525 1.00 37.37 ? 15 TYR B CE2 1 ATOM 139 C CZ . TYR A 1 16 ? 35.088 -22.928 19.898 1.00 37.18 ? 15 TYR B CZ 1 ATOM 140 O OH . TYR A 1 16 ? 34.272 -22.337 18.958 1.00 35.77 ? 15 TYR B OH 1 ATOM 141 N N . SER A 1 17 ? 36.475 -27.357 21.232 1.00 40.12 ? 16 SER B N 1 ATOM 142 C CA . SER A 1 17 ? 36.548 -27.968 19.907 1.00 40.60 ? 16 SER B CA 1 ATOM 143 C C . SER A 1 17 ? 35.945 -27.018 18.886 1.00 40.56 ? 16 SER B C 1 ATOM 144 O O . SER A 1 17 ? 34.821 -26.577 19.056 1.00 39.89 ? 16 SER B O 1 ATOM 145 C CB . SER A 1 17 ? 35.759 -29.271 19.870 1.00 41.20 ? 16 SER B CB 1 ATOM 146 O OG . SER A 1 17 ? 35.610 -29.748 18.534 1.00 41.57 ? 16 SER B OG 1 ATOM 147 N N . SER A 1 18 ? 36.684 -26.735 17.815 1.00 41.74 ? 17 SER B N 1 ATOM 148 C CA . SER A 1 18 ? 36.194 -25.902 16.718 1.00 42.02 ? 17 SER B CA 1 ATOM 149 C C . SER A 1 18 ? 35.403 -26.674 15.665 1.00 42.62 ? 17 SER B C 1 ATOM 150 O O . SER A 1 18 ? 34.874 -26.068 14.740 1.00 42.45 ? 17 SER B O 1 ATOM 151 C CB . SER A 1 18 ? 37.363 -25.185 16.050 1.00 42.20 ? 17 SER B CB 1 ATOM 152 O OG . SER A 1 18 ? 38.284 -26.113 15.538 1.00 43.07 ? 17 SER B OG 1 ATOM 153 N N . VAL A 1 19 ? 35.310 -27.992 15.811 1.00 44.42 ? 18 VAL B N 1 ATOM 154 C CA . VAL A 1 19 ? 34.632 -28.852 14.840 1.00 46.56 ? 18 VAL B CA 1 ATOM 155 C C . VAL A 1 19 ? 33.115 -28.920 15.064 1.00 47.69 ? 18 VAL B C 1 ATOM 156 O O . VAL A 1 19 ? 32.363 -29.061 14.095 1.00 48.42 ? 18 VAL B O 1 ATOM 157 C CB . VAL A 1 19 ? 35.205 -30.288 14.874 1.00 47.66 ? 18 VAL B CB 1 ATOM 158 C CG1 . VAL A 1 19 ? 34.478 -31.189 13.880 1.00 48.61 ? 18 VAL B CG1 1 ATOM 159 C CG2 . VAL A 1 19 ? 36.702 -30.270 14.587 1.00 48.06 ? 18 VAL B CG2 1 ATOM 160 N N . VAL A 1 20 ? 32.681 -28.853 16.326 1.00 48.43 ? 19 VAL B N 1 ATOM 161 C CA . VAL A 1 20 ? 31.261 -28.986 16.693 1.00 49.17 ? 19 VAL B CA 1 ATOM 162 C C . VAL A 1 20 ? 30.591 -27.613 16.739 1.00 48.44 ? 19 VAL B C 1 ATOM 163 O O . VAL A 1 20 ? 31.222 -26.622 17.120 1.00 48.92 ? 19 VAL B O 1 ATOM 164 C CB . VAL A 1 20 ? 31.063 -29.716 18.062 1.00 50.77 ? 19 VAL B CB 1 ATOM 165 C CG1 . VAL A 1 20 ? 31.868 -31.012 18.120 1.00 52.01 ? 19 VAL B CG1 1 ATOM 166 C CG2 . VAL A 1 20 ? 31.429 -28.831 19.255 1.00 50.80 ? 19 VAL B CG2 1 ATOM 167 N N . ARG A 1 21 ? 29.314 -27.562 16.372 1.00 47.78 ? 20 ARG B N 1 ATOM 168 C CA . ARG A 1 21 ? 28.548 -26.321 16.433 1.00 47.94 ? 20 ARG B CA 1 ATOM 169 C C . ARG A 1 21 ? 28.326 -25.912 17.893 1.00 48.83 ? 20 ARG B C 1 ATOM 170 O O . ARG A 1 21 ? 27.976 -26.758 18.715 1.00 48.65 ? 20 ARG B O 1 ATOM 171 C CB . ARG A 1 21 ? 27.188 -26.478 15.757 1.00 47.13 ? 20 ARG B CB 1 ATOM 172 C CG . ARG A 1 21 ? 27.266 -26.759 14.273 1.00 46.88 ? 20 ARG B CG 1 ATOM 173 C CD . ARG A 1 21 ? 25.884 -26.907 13.649 1.00 46.88 ? 20 ARG B CD 1 ATOM 174 N NE . ARG A 1 21 ? 25.041 -27.870 14.368 1.00 46.53 ? 20 ARG B NE 1 ATOM 175 C CZ . ARG A 1 21 ? 23.824 -27.644 14.866 1.00 46.27 ? 20 ARG B CZ 1 ATOM 176 N NH1 . ARG A 1 21 ? 23.217 -26.472 14.748 1.00 46.32 ? 20 ARG B NH1 1 ATOM 177 N NH2 . ARG A 1 21 ? 23.191 -28.627 15.493 1.00 47.04 ? 20 ARG B NH2 1 ATOM 178 N N . PRO A 1 22 ? 28.493 -24.615 18.216 1.00 49.54 ? 21 PRO B N 1 ATOM 179 C CA . PRO A 1 22 ? 28.378 -24.151 19.596 1.00 51.36 ? 21 PRO B CA 1 ATOM 180 C C . PRO A 1 22 ? 26.922 -23.956 20.075 1.00 54.21 ? 21 PRO B C 1 ATOM 181 O O . PRO A 1 22 ? 26.485 -22.825 20.353 1.00 53.46 ? 21 PRO B O 1 ATOM 182 C CB . PRO A 1 22 ? 29.131 -22.828 19.554 1.00 50.37 ? 21 PRO B CB 1 ATOM 183 C CG . PRO A 1 22 ? 28.770 -22.291 18.214 1.00 49.87 ? 21 PRO B CG 1 ATOM 184 C CD . PRO A 1 22 ? 28.766 -23.492 17.303 1.00 48.93 ? 21 PRO B CD 1 ATOM 185 N N . VAL A 1 23 ? 26.197 -25.069 20.178 1.00 57.29 ? 22 VAL B N 1 ATOM 186 C CA . VAL A 1 23 ? 24.876 -25.104 20.794 1.00 60.62 ? 22 VAL B CA 1 ATOM 187 C C . VAL A 1 23 ? 24.855 -26.128 21.937 1.00 64.04 ? 22 VAL B C 1 ATOM 188 O O . VAL A 1 23 ? 25.611 -27.104 21.933 1.00 63.97 ? 22 VAL B O 1 ATOM 189 C CB . VAL A 1 23 ? 23.753 -25.398 19.772 1.00 61.26 ? 22 VAL B CB 1 ATOM 190 C CG1 . VAL A 1 23 ? 23.602 -24.214 18.833 1.00 61.24 ? 22 VAL B CG1 1 ATOM 191 C CG2 . VAL A 1 23 ? 23.998 -26.694 18.990 1.00 61.01 ? 22 VAL B CG2 1 ATOM 192 N N . GLU A 1 24 ? 23.972 -25.892 22.903 1.00 67.82 ? 23 GLU B N 1 ATOM 193 C CA . GLU A 1 24 ? 23.875 -26.719 24.105 1.00 70.13 ? 23 GLU B CA 1 ATOM 194 C C . GLU A 1 24 ? 23.300 -28.098 23.751 1.00 70.28 ? 23 GLU B C 1 ATOM 195 O O . GLU A 1 24 ? 23.931 -29.116 24.026 1.00 69.95 ? 23 GLU B O 1 ATOM 196 C CB . GLU A 1 24 ? 23.028 -25.999 25.165 1.00 72.09 ? 23 GLU B CB 1 ATOM 197 C CG . GLU A 1 24 ? 23.348 -26.354 26.607 1.00 73.50 ? 23 GLU B CG 1 ATOM 198 C CD . GLU A 1 24 ? 22.527 -25.530 27.590 1.00 75.47 ? 23 GLU B CD 1 ATOM 199 O OE1 . GLU A 1 24 ? 22.480 -24.286 27.448 1.00 77.58 ? 23 GLU B OE1 1 ATOM 200 O OE2 . GLU A 1 24 ? 21.922 -26.122 28.507 1.00 76.40 ? 23 GLU B OE2 1 ATOM 201 N N . ASP A 1 25 ? 22.119 -28.112 23.130 1.00 71.22 ? 24 ASP B N 1 ATOM 202 C CA . ASP A 1 25 ? 21.515 -29.325 22.560 1.00 72.78 ? 24 ASP B CA 1 ATOM 203 C C . ASP A 1 25 ? 21.685 -29.269 21.047 1.00 72.44 ? 24 ASP B C 1 ATOM 204 O O . ASP A 1 25 ? 21.621 -28.189 20.458 1.00 72.29 ? 24 ASP B O 1 ATOM 205 C CB . ASP A 1 25 ? 20.024 -29.421 22.916 1.00 74.59 ? 24 ASP B CB 1 ATOM 206 C CG . ASP A 1 25 ? 19.387 -30.736 22.450 1.00 76.72 ? 24 ASP B CG 1 ATOM 207 O OD1 . ASP A 1 25 ? 19.570 -31.764 23.140 1.00 77.63 ? 24 ASP B OD1 1 ATOM 208 O OD2 . ASP A 1 25 ? 18.706 -30.742 21.395 1.00 77.31 ? 24 ASP B OD2 1 ATOM 209 N N . HIS A 1 26 ? 21.879 -30.430 20.423 1.00 72.98 ? 25 HIS B N 1 ATOM 210 C CA . HIS A 1 26 ? 22.213 -30.498 18.999 1.00 73.28 ? 25 HIS B CA 1 ATOM 211 C C . HIS A 1 26 ? 21.041 -30.173 18.054 1.00 71.71 ? 25 HIS B C 1 ATOM 212 O O . HIS A 1 26 ? 21.278 -29.840 16.894 1.00 71.20 ? 25 HIS B O 1 ATOM 213 C CB . HIS A 1 26 ? 22.870 -31.846 18.645 1.00 76.01 ? 25 HIS B CB 1 ATOM 214 C CG . HIS A 1 26 ? 21.903 -32.965 18.397 1.00 79.52 ? 25 HIS B CG 1 ATOM 215 N ND1 . HIS A 1 26 ? 21.376 -33.736 19.413 1.00 81.72 ? 25 HIS B ND1 1 ATOM 216 C CD2 . HIS A 1 26 ? 21.391 -33.461 17.244 1.00 81.01 ? 25 HIS B CD2 1 ATOM 217 C CE1 . HIS A 1 26 ? 20.568 -34.647 18.898 1.00 83.29 ? 25 HIS B CE1 1 ATOM 218 N NE2 . HIS A 1 26 ? 20.560 -34.502 17.584 1.00 83.54 ? 25 HIS B NE2 1 ATOM 219 N N . ARG A 1 27 ? 19.798 -30.272 18.528 1.00 69.92 ? 26 ARG B N 1 ATOM 220 C CA . ARG A 1 27 ? 18.637 -29.919 17.688 1.00 69.06 ? 26 ARG B CA 1 ATOM 221 C C . ARG A 1 27 ? 18.512 -28.414 17.451 1.00 66.18 ? 26 ARG B C 1 ATOM 222 O O . ARG A 1 27 ? 17.918 -27.995 16.457 1.00 66.01 ? 26 ARG B O 1 ATOM 223 C CB . ARG A 1 27 ? 17.333 -30.443 18.286 1.00 71.19 ? 26 ARG B CB 1 ATOM 224 C CG . ARG A 1 27 ? 17.139 -31.936 18.120 1.00 72.71 ? 26 ARG B CG 1 ATOM 225 C CD . ARG A 1 27 ? 16.008 -32.418 19.008 1.00 74.73 ? 26 ARG B CD 1 ATOM 226 N NE . ARG A 1 27 ? 16.394 -32.435 20.420 1.00 76.04 ? 26 ARG B NE 1 ATOM 227 C CZ . ARG A 1 27 ? 15.578 -32.722 21.436 1.00 76.90 ? 26 ARG B CZ 1 ATOM 228 N NH1 . ARG A 1 27 ? 14.295 -33.014 21.224 1.00 77.62 ? 26 ARG B NH1 1 ATOM 229 N NH2 . ARG A 1 27 ? 16.050 -32.711 22.681 1.00 77.27 ? 26 ARG B NH2 1 ATOM 230 N N . GLN A 1 28 ? 19.063 -27.611 18.364 1.00 63.01 ? 27 GLN B N 1 ATOM 231 C CA . GLN A 1 28 ? 19.060 -26.155 18.231 1.00 61.07 ? 27 GLN B CA 1 ATOM 232 C C . GLN A 1 28 ? 19.784 -25.708 16.961 1.00 57.83 ? 27 GLN B C 1 ATOM 233 O O . GLN A 1 28 ? 20.616 -26.432 16.413 1.00 56.74 ? 27 GLN B O 1 ATOM 234 C CB . GLN A 1 28 ? 19.755 -25.488 19.426 1.00 62.36 ? 27 GLN B CB 1 ATOM 235 C CG . GLN A 1 28 ? 19.074 -25.631 20.774 1.00 63.89 ? 27 GLN B CG 1 ATOM 236 C CD . GLN A 1 28 ? 19.974 -25.164 21.914 1.00 65.70 ? 27 GLN B CD 1 ATOM 237 O OE1 . GLN A 1 28 ? 20.903 -25.870 22.325 1.00 66.17 ? 27 GLN B OE1 1 ATOM 238 N NE2 . GLN A 1 28 ? 19.705 -23.967 22.429 1.00 66.82 ? 27 GLN B NE2 1 ATOM 239 N N . VAL A 1 29 ? 19.473 -24.490 16.535 1.00 54.92 ? 28 VAL B N 1 ATOM 240 C CA . VAL A 1 29 ? 20.076 -23.867 15.367 1.00 52.59 ? 28 VAL B CA 1 ATOM 241 C C . VAL A 1 29 ? 21.000 -22.744 15.833 1.00 50.55 ? 28 VAL B C 1 ATOM 242 O O . VAL A 1 29 ? 20.652 -21.998 16.759 1.00 50.53 ? 28 VAL B O 1 ATOM 243 C CB . VAL A 1 29 ? 19.003 -23.220 14.471 1.00 53.23 ? 28 VAL B CB 1 ATOM 244 C CG1 . VAL A 1 29 ? 19.549 -23.008 13.066 1.00 53.30 ? 28 VAL B CG1 1 ATOM 245 C CG2 . VAL A 1 29 ? 17.737 -24.066 14.434 1.00 54.39 ? 28 VAL B CG2 1 ATOM 246 N N . VAL A 1 30 ? 22.155 -22.600 15.189 1.00 47.57 ? 29 VAL B N 1 ATOM 247 C CA . VAL A 1 30 ? 23.001 -21.445 15.443 1.00 45.99 ? 29 VAL B CA 1 ATOM 248 C C . VAL A 1 30 ? 22.419 -20.286 14.624 1.00 45.35 ? 29 VAL B C 1 ATOM 249 O O . VAL A 1 30 ? 22.235 -20.403 13.413 1.00 44.38 ? 29 VAL B O 1 ATOM 250 C CB . VAL A 1 30 ? 24.483 -21.684 15.077 1.00 45.51 ? 29 VAL B CB 1 ATOM 251 C CG1 . VAL A 1 30 ? 25.314 -20.457 15.410 1.00 44.95 ? 29 VAL B CG1 1 ATOM 252 C CG2 . VAL A 1 30 ? 25.053 -22.889 15.808 1.00 45.85 ? 29 VAL B CG2 1 ATOM 253 N N . GLU A 1 31 ? 22.104 -19.186 15.303 1.00 45.50 ? 30 GLU B N 1 ATOM 254 C CA . GLU A 1 31 ? 21.644 -17.956 14.656 1.00 44.64 ? 30 GLU B CA 1 ATOM 255 C C . GLU A 1 31 ? 22.860 -17.117 14.322 1.00 41.90 ? 30 GLU B C 1 ATOM 256 O O . GLU A 1 31 ? 23.675 -16.848 15.200 1.00 41.39 ? 30 GLU B O 1 ATOM 257 C CB . GLU A 1 31 ? 20.704 -17.169 15.583 1.00 46.62 ? 30 GLU B CB 1 ATOM 258 C CG . GLU A 1 31 ? 19.370 -17.856 15.860 1.00 48.65 ? 30 GLU B CG 1 ATOM 259 C CD . GLU A 1 31 ? 18.517 -18.026 14.606 1.00 50.81 ? 30 GLU B CD 1 ATOM 260 O OE1 . GLU A 1 31 ? 18.404 -17.060 13.820 1.00 52.58 ? 30 GLU B OE1 1 ATOM 261 O OE2 . GLU A 1 31 ? 17.963 -19.129 14.393 1.00 53.06 ? 30 GLU B OE2 1 ATOM 262 N N . VAL A 1 32 ? 22.980 -16.727 13.053 1.00 39.64 ? 31 VAL B N 1 ATOM 263 C CA . VAL A 1 32 ? 24.097 -15.928 12.557 1.00 37.81 ? 31 VAL B CA 1 ATOM 264 C C . VAL A 1 32 ? 23.516 -14.709 11.860 1.00 37.29 ? 31 VAL B C 1 ATOM 265 O O . VAL A 1 32 ? 22.753 -14.850 10.910 1.00 37.15 ? 31 VAL B O 1 ATOM 266 C CB . VAL A 1 32 ? 24.970 -16.726 11.562 1.00 37.23 ? 31 VAL B CB 1 ATOM 267 C CG1 . VAL A 1 32 ? 26.156 -15.893 11.071 1.00 36.62 ? 31 VAL B CG1 1 ATOM 268 C CG2 . VAL A 1 32 ? 25.455 -18.031 12.192 1.00 37.26 ? 31 VAL B CG2 1 ATOM 269 N N . THR A 1 33 ? 23.861 -13.523 12.352 1.00 36.90 ? 32 THR B N 1 ATOM 270 C CA . THR A 1 33 ? 23.454 -12.267 11.743 1.00 37.08 ? 32 THR B CA 1 ATOM 271 C C . THR A 1 33 ? 24.517 -11.877 10.717 1.00 37.55 ? 32 THR B C 1 ATOM 272 O O . THR A 1 33 ? 25.706 -11.824 11.041 1.00 37.33 ? 32 THR B O 1 ATOM 273 C CB . THR A 1 33 ? 23.257 -11.167 12.811 1.00 37.01 ? 32 THR B CB 1 ATOM 274 O OG1 . THR A 1 33 ? 22.115 -11.495 13.600 1.00 37.63 ? 32 THR B OG1 1 ATOM 275 C CG2 . THR A 1 33 ? 23.018 -9.796 12.196 1.00 36.95 ? 32 THR B CG2 1 ATOM 276 N N . VAL A 1 34 ? 24.074 -11.594 9.489 1.00 38.31 ? 33 VAL B N 1 ATOM 277 C CA . VAL A 1 34 ? 24.964 -11.345 8.351 1.00 38.61 ? 33 VAL B CA 1 ATOM 278 C C . VAL A 1 34 ? 24.707 -9.968 7.732 1.00 39.00 ? 33 VAL B C 1 ATOM 279 O O . VAL A 1 34 ? 23.568 -9.517 7.613 1.00 38.99 ? 33 VAL B O 1 ATOM 280 C CB . VAL A 1 34 ? 24.805 -12.435 7.270 1.00 38.77 ? 33 VAL B CB 1 ATOM 281 C CG1 . VAL A 1 34 ? 25.671 -12.143 6.056 1.00 38.81 ? 33 VAL B CG1 1 ATOM 282 C CG2 . VAL A 1 34 ? 25.167 -13.797 7.843 1.00 39.12 ? 33 VAL B CG2 1 ATOM 283 N N . GLY A 1 35 ? 25.796 -9.313 7.347 1.00 38.79 ? 34 GLY B N 1 ATOM 284 C CA . GLY A 1 35 ? 25.745 -8.063 6.624 1.00 38.72 ? 34 GLY B CA 1 ATOM 285 C C . GLY A 1 35 ? 26.897 -7.980 5.647 1.00 38.52 ? 34 GLY B C 1 ATOM 286 O O . GLY A 1 35 ? 28.006 -8.411 5.958 1.00 38.77 ? 34 GLY B O 1 ATOM 287 N N . LEU A 1 36 ? 26.622 -7.429 4.468 1.00 38.30 ? 35 LEU B N 1 ATOM 288 C CA . LEU A 1 36 ? 27.628 -7.205 3.453 1.00 38.21 ? 35 LEU B CA 1 ATOM 289 C C . LEU A 1 36 ? 28.004 -5.737 3.434 1.00 37.75 ? 35 LEU B C 1 ATOM 290 O O . LEU A 1 36 ? 27.149 -4.883 3.255 1.00 38.24 ? 35 LEU B O 1 ATOM 291 C CB . LEU A 1 36 ? 27.093 -7.622 2.079 1.00 38.64 ? 35 LEU B CB 1 ATOM 292 C CG . LEU A 1 36 ? 28.073 -7.524 0.901 1.00 39.06 ? 35 LEU B CG 1 ATOM 293 C CD1 . LEU A 1 36 ? 29.394 -8.236 1.184 1.00 39.24 ? 35 LEU B CD1 1 ATOM 294 C CD2 . LEU A 1 36 ? 27.430 -8.109 -0.334 1.00 39.31 ? 35 LEU B CD2 1 ATOM 295 N N . GLN A 1 37 ? 29.286 -5.448 3.610 1.00 37.55 ? 36 GLN B N 1 ATOM 296 C CA . GLN A 1 37 ? 29.800 -4.092 3.459 1.00 37.64 ? 36 GLN B CA 1 ATOM 297 C C . GLN A 1 37 ? 30.523 -3.989 2.137 1.00 36.96 ? 36 GLN B C 1 ATOM 298 O O . GLN A 1 37 ? 31.432 -4.766 1.870 1.00 36.51 ? 36 GLN B O 1 ATOM 299 C CB . GLN A 1 37 ? 30.763 -3.741 4.578 1.00 38.11 ? 36 GLN B CB 1 ATOM 300 C CG . GLN A 1 37 ? 30.293 -4.203 5.934 1.00 38.69 ? 36 GLN B CG 1 ATOM 301 C CD . GLN A 1 37 ? 31.144 -3.661 7.039 1.00 39.34 ? 36 GLN B CD 1 ATOM 302 O OE1 . GLN A 1 37 ? 32.148 -2.996 6.793 1.00 40.01 ? 36 GLN B OE1 1 ATOM 303 N NE2 . GLN A 1 37 ? 30.752 -3.945 8.274 1.00 39.48 ? 36 GLN B NE2 1 ATOM 304 N N . LEU A 1 38 ? 30.113 -3.033 1.313 1.00 36.85 ? 37 LEU B N 1 ATOM 305 C CA . LEU A 1 38 ? 30.781 -2.753 0.055 1.00 36.45 ? 37 LEU B CA 1 ATOM 306 C C . LEU A 1 38 ? 31.764 -1.612 0.278 1.00 35.42 ? 37 LEU B C 1 ATOM 307 O O . LEU A 1 38 ? 31.373 -0.539 0.745 1.00 35.05 ? 37 LEU B O 1 ATOM 308 C CB . LEU A 1 38 ? 29.741 -2.364 -0.988 1.00 37.36 ? 37 LEU B CB 1 ATOM 309 C CG . LEU A 1 38 ? 30.270 -2.151 -2.403 1.00 38.40 ? 37 LEU B CG 1 ATOM 310 C CD1 . LEU A 1 38 ? 31.087 -3.350 -2.883 1.00 38.52 ? 37 LEU B CD1 1 ATOM 311 C CD2 . LEU A 1 38 ? 29.091 -1.887 -3.325 1.00 38.91 ? 37 LEU B CD2 1 ATOM 312 N N . ILE A 1 39 ? 33.031 -1.845 -0.051 1.00 34.42 ? 38 ILE B N 1 ATOM 313 C CA . ILE A 1 39 ? 34.104 -0.876 0.225 1.00 34.43 ? 38 ILE B CA 1 ATOM 314 C C . ILE A 1 39 ? 34.519 -0.066 -1.009 1.00 34.40 ? 38 ILE B C 1 ATOM 315 O O . ILE A 1 39 ? 34.641 1.155 -0.945 1.00 34.53 ? 38 ILE B O 1 ATOM 316 C CB . ILE A 1 39 ? 35.349 -1.580 0.814 1.00 34.24 ? 38 ILE B CB 1 ATOM 317 C CG1 . ILE A 1 39 ? 34.979 -2.432 2.041 1.00 33.99 ? 38 ILE B CG1 1 ATOM 318 C CG2 . ILE A 1 39 ? 36.442 -0.574 1.150 1.00 34.37 ? 38 ILE B CG2 1 ATOM 319 C CD1 . ILE A 1 39 ? 34.404 -1.655 3.204 1.00 34.47 ? 38 ILE B CD1 1 ATOM 320 N N . GLN A 1 40 ? 34.764 -0.748 -2.121 1.00 34.39 ? 39 GLN B N 1 ATOM 321 C CA . GLN A 1 40 ? 35.171 -0.086 -3.366 1.00 34.59 ? 39 GLN B CA 1 ATOM 322 C C . GLN A 1 40 ? 34.996 -1.012 -4.588 1.00 34.38 ? 39 GLN B C 1 ATOM 323 O O . GLN A 1 40 ? 35.249 -2.212 -4.493 1.00 32.95 ? 39 GLN B O 1 ATOM 324 C CB . GLN A 1 40 ? 36.636 0.373 -3.255 1.00 34.57 ? 39 GLN B CB 1 ATOM 325 C CG . GLN A 1 40 ? 36.979 1.610 -4.079 1.00 34.94 ? 39 GLN B CG 1 ATOM 326 C CD . GLN A 1 40 ? 38.336 2.211 -3.724 1.00 35.06 ? 39 GLN B CD 1 ATOM 327 O OE1 . GLN A 1 40 ? 39.154 1.576 -3.049 1.00 34.46 ? 39 GLN B OE1 1 ATOM 328 N NE2 . GLN A 1 40 ? 38.580 3.445 -4.181 1.00 34.89 ? 39 GLN B NE2 1 ATOM 329 N N . LEU A 1 41 ? 34.545 -0.454 -5.718 1.00 35.06 ? 40 LEU B N 1 ATOM 330 C CA . LEU A 1 41 ? 34.717 -1.127 -7.014 1.00 35.79 ? 40 LEU B CA 1 ATOM 331 C C . LEU A 1 41 ? 36.159 -0.888 -7.427 1.00 36.16 ? 40 LEU B C 1 ATOM 332 O O . LEU A 1 41 ? 36.603 0.265 -7.469 1.00 36.14 ? 40 LEU B O 1 ATOM 333 C CB . LEU A 1 41 ? 33.797 -0.577 -8.096 1.00 36.31 ? 40 LEU B CB 1 ATOM 334 C CG . LEU A 1 41 ? 32.324 -0.391 -7.780 1.00 36.67 ? 40 LEU B CG 1 ATOM 335 C CD1 . LEU A 1 41 ? 31.587 -0.034 -9.060 1.00 36.97 ? 40 LEU B CD1 1 ATOM 336 C CD2 . LEU A 1 41 ? 31.746 -1.652 -7.170 1.00 36.87 ? 40 LEU B CD2 1 ATOM 337 N N . ILE A 1 42 ? 36.888 -1.970 -7.694 1.00 36.57 ? 41 ILE B N 1 ATOM 338 C CA . ILE A 1 42 ? 38.318 -1.881 -8.017 1.00 37.49 ? 41 ILE B CA 1 ATOM 339 C C . ILE A 1 42 ? 38.648 -2.190 -9.472 1.00 37.60 ? 41 ILE B C 1 ATOM 340 O O . ILE A 1 42 ? 39.703 -1.789 -9.950 1.00 38.43 ? 41 ILE B O 1 ATOM 341 C CB . ILE A 1 42 ? 39.203 -2.713 -7.049 1.00 37.75 ? 41 ILE B CB 1 ATOM 342 C CG1 . ILE A 1 42 ? 38.966 -4.211 -7.179 1.00 38.00 ? 41 ILE B CG1 1 ATOM 343 C CG2 . ILE A 1 42 ? 38.945 -2.302 -5.606 1.00 38.00 ? 41 ILE B CG2 1 ATOM 344 C CD1 . ILE A 1 42 ? 39.852 -5.023 -6.257 1.00 38.33 ? 41 ILE B CD1 1 ATOM 345 N N . ASN A 1 43 ? 37.761 -2.888 -10.168 1.00 37.59 ? 42 ASN B N 1 ATOM 346 C CA . ASN A 1 43 ? 37.960 -3.214 -11.565 1.00 38.37 ? 42 ASN B CA 1 ATOM 347 C C . ASN A 1 43 ? 36.606 -3.287 -12.239 1.00 38.71 ? 42 ASN B C 1 ATOM 348 O O . ASN A 1 43 ? 35.643 -3.784 -11.655 1.00 37.69 ? 42 ASN B O 1 ATOM 349 C CB . ASN A 1 43 ? 38.678 -4.549 -11.682 1.00 39.00 ? 42 ASN B CB 1 ATOM 350 C CG . ASN A 1 43 ? 39.431 -4.693 -12.984 1.00 40.28 ? 42 ASN B CG 1 ATOM 351 O OD1 . ASN A 1 43 ? 38.833 -4.811 -14.065 1.00 41.04 ? 42 ASN B OD1 1 ATOM 352 N ND2 . ASN A 1 43 ? 40.761 -4.697 -12.892 1.00 41.20 ? 42 ASN B ND2 1 ATOM 353 N N . VAL A 1 44 ? 36.518 -2.751 -13.448 1.00 40.04 ? 43 VAL B N 1 ATOM 354 C CA . VAL A 1 44 ? 35.297 -2.845 -14.232 1.00 41.71 ? 43 VAL B CA 1 ATOM 355 C C . VAL A 1 44 ? 35.701 -3.287 -15.638 1.00 42.95 ? 43 VAL B C 1 ATOM 356 O O . VAL A 1 44 ? 36.485 -2.608 -16.297 1.00 43.90 ? 43 VAL B O 1 ATOM 357 C CB . VAL A 1 44 ? 34.499 -1.521 -14.232 1.00 41.78 ? 43 VAL B CB 1 ATOM 358 C CG1 . VAL A 1 44 ? 33.214 -1.657 -15.037 1.00 41.91 ? 43 VAL B CG1 1 ATOM 359 C CG2 . VAL A 1 44 ? 34.163 -1.104 -12.811 1.00 41.80 ? 43 VAL B CG2 1 ATOM 360 N N . ASP A 1 45 ? 35.194 -4.454 -16.048 1.00 44.17 ? 44 ASP B N 1 ATOM 361 C CA . ASP A 1 45 ? 35.455 -5.055 -17.356 1.00 45.31 ? 44 ASP B CA 1 ATOM 362 C C . ASP A 1 45 ? 34.158 -4.954 -18.158 1.00 46.64 ? 44 ASP B C 1 ATOM 363 O O . ASP A 1 45 ? 33.228 -5.740 -17.955 1.00 45.52 ? 44 ASP B O 1 ATOM 364 C CB . ASP A 1 45 ? 35.904 -6.510 -17.171 1.00 44.71 ? 44 ASP B CB 1 ATOM 365 C CG . ASP A 1 45 ? 36.189 -7.235 -18.483 1.00 45.78 ? 44 ASP B CG 1 ATOM 366 O OD1 . ASP A 1 45 ? 35.978 -6.680 -19.593 1.00 46.11 ? 44 ASP B OD1 1 ATOM 367 O OD2 . ASP A 1 45 ? 36.629 -8.403 -18.396 1.00 45.98 ? 44 ASP B OD2 1 ATOM 368 N N . GLU A 1 46 ? 34.107 -3.963 -19.054 1.00 48.38 ? 45 GLU B N 1 ATOM 369 C CA . GLU A 1 46 ? 32.915 -3.702 -19.864 1.00 49.29 ? 45 GLU B CA 1 ATOM 370 C C . GLU A 1 46 ? 32.751 -4.656 -21.057 1.00 49.84 ? 45 GLU B C 1 ATOM 371 O O . GLU A 1 46 ? 31.680 -4.698 -21.657 1.00 51.36 ? 45 GLU B O 1 ATOM 372 C CB . GLU A 1 46 ? 32.876 -2.239 -20.318 1.00 50.13 ? 45 GLU B CB 1 ATOM 373 C CG . GLU A 1 46 ? 32.658 -1.250 -19.171 1.00 50.74 ? 45 GLU B CG 1 ATOM 374 C CD . GLU A 1 46 ? 32.385 0.177 -19.635 1.00 51.66 ? 45 GLU B CD 1 ATOM 375 O OE1 . GLU A 1 46 ? 31.466 0.379 -20.460 1.00 53.00 ? 45 GLU B OE1 1 ATOM 376 O OE2 . GLU A 1 46 ? 33.079 1.108 -19.175 1.00 51.74 ? 45 GLU B OE2 1 ATOM 377 N N . VAL A 1 47 ? 33.782 -5.429 -21.387 1.00 50.01 ? 46 VAL B N 1 ATOM 378 C CA . VAL A 1 47 ? 33.700 -6.419 -22.469 1.00 50.82 ? 46 VAL B CA 1 ATOM 379 C C . VAL A 1 47 ? 32.967 -7.661 -21.980 1.00 50.44 ? 46 VAL B C 1 ATOM 380 O O . VAL A 1 47 ? 31.934 -8.031 -22.526 1.00 51.70 ? 46 VAL B O 1 ATOM 381 C CB . VAL A 1 47 ? 35.112 -6.784 -23.019 1.00 51.34 ? 46 VAL B CB 1 ATOM 382 C CG1 . VAL A 1 47 ? 35.074 -7.986 -23.970 1.00 51.20 ? 46 VAL B CG1 1 ATOM 383 C CG2 . VAL A 1 47 ? 35.730 -5.566 -23.694 1.00 51.21 ? 46 VAL B CG2 1 ATOM 384 N N . ASN A 1 48 ? 33.512 -8.285 -20.944 1.00 50.15 ? 47 ASN B N 1 ATOM 385 C CA . ASN A 1 48 ? 32.923 -9.485 -20.334 1.00 49.61 ? 47 ASN B CA 1 ATOM 386 C C . ASN A 1 48 ? 31.867 -9.181 -19.246 1.00 48.37 ? 47 ASN B C 1 ATOM 387 O O . ASN A 1 48 ? 31.317 -10.108 -18.654 1.00 47.21 ? 47 ASN B O 1 ATOM 388 C CB . ASN A 1 48 ? 34.039 -10.351 -19.753 1.00 50.19 ? 47 ASN B CB 1 ATOM 389 C CG . ASN A 1 48 ? 35.124 -10.655 -20.770 1.00 51.21 ? 47 ASN B CG 1 ATOM 390 O OD1 . ASN A 1 48 ? 36.133 -9.954 -20.856 1.00 51.06 ? 47 ASN B OD1 1 ATOM 391 N ND2 . ASN A 1 48 ? 34.904 -11.688 -21.571 1.00 53.21 ? 47 ASN B ND2 1 ATOM 392 N N . GLN A 1 49 ? 31.596 -7.893 -19.001 1.00 48.56 ? 48 GLN B N 1 ATOM 393 C CA . GLN A 1 49 ? 30.588 -7.416 -18.034 1.00 48.54 ? 48 GLN B CA 1 ATOM 394 C C . GLN A 1 49 ? 30.823 -7.917 -16.601 1.00 45.89 ? 48 GLN B C 1 ATOM 395 O O . GLN A 1 49 ? 29.898 -8.328 -15.911 1.00 45.42 ? 48 GLN B O 1 ATOM 396 C CB . GLN A 1 49 ? 29.168 -7.723 -18.531 1.00 50.55 ? 48 GLN B CB 1 ATOM 397 C CG . GLN A 1 49 ? 28.767 -6.913 -19.757 1.00 52.68 ? 48 GLN B CG 1 ATOM 398 C CD . GLN A 1 49 ? 27.573 -7.509 -20.497 1.00 55.08 ? 48 GLN B CD 1 ATOM 399 O OE1 . GLN A 1 49 ? 27.444 -7.358 -21.718 1.00 57.15 ? 48 GLN B OE1 1 ATOM 400 N NE2 . GLN A 1 49 ? 26.700 -8.200 -19.764 1.00 55.69 ? 48 GLN B NE2 1 ATOM 401 N N . ILE A 1 50 ? 32.080 -7.866 -16.173 1.00 43.98 ? 49 ILE B N 1 ATOM 402 C CA . ILE A 1 50 ? 32.495 -8.323 -14.850 1.00 42.41 ? 49 ILE B CA 1 ATOM 403 C C . ILE A 1 50 ? 32.963 -7.106 -14.039 1.00 41.22 ? 49 ILE B C 1 ATOM 404 O O . ILE A 1 50 ? 33.662 -6.247 -14.578 1.00 41.04 ? 49 ILE B O 1 ATOM 405 C CB . ILE A 1 50 ? 33.600 -9.398 -14.988 1.00 42.34 ? 49 ILE B CB 1 ATOM 406 C CG1 . ILE A 1 50 ? 32.989 -10.692 -15.546 1.00 42.25 ? 49 ILE B CG1 1 ATOM 407 C CG2 . ILE A 1 50 ? 34.297 -9.685 -13.656 1.00 42.17 ? 49 ILE B CG2 1 ATOM 408 C CD1 . ILE A 1 50 ? 33.982 -11.606 -16.233 1.00 42.16 ? 49 ILE B CD1 1 ATOM 409 N N . VAL A 1 51 ? 32.542 -7.009 -12.772 1.00 39.80 ? 50 VAL B N 1 ATOM 410 C CA . VAL A 1 51 ? 33.121 -6.017 -11.834 1.00 39.36 ? 50 VAL B CA 1 ATOM 411 C C . VAL A 1 51 ? 33.678 -6.681 -10.595 1.00 37.71 ? 50 VAL B C 1 ATOM 412 O O . VAL A 1 51 ? 33.061 -7.572 -10.036 1.00 37.28 ? 50 VAL B O 1 ATOM 413 C CB . VAL A 1 51 ? 32.155 -4.879 -11.419 1.00 39.93 ? 50 VAL B CB 1 ATOM 414 C CG1 . VAL A 1 51 ? 31.492 -4.282 -12.657 1.00 40.84 ? 50 VAL B CG1 1 ATOM 415 C CG2 . VAL A 1 51 ? 31.112 -5.343 -10.421 1.00 39.97 ? 50 VAL B CG2 1 ATOM 416 N N . THR A 1 52 ? 34.865 -6.242 -10.199 1.00 36.91 ? 51 THR B N 1 ATOM 417 C CA . THR A 1 52 ? 35.562 -6.764 -9.047 1.00 36.14 ? 51 THR B CA 1 ATOM 418 C C . THR A 1 52 ? 35.331 -5.746 -7.943 1.00 35.75 ? 51 THR B C 1 ATOM 419 O O . THR A 1 52 ? 35.529 -4.545 -8.148 1.00 35.13 ? 51 THR B O 1 ATOM 420 C CB . THR A 1 52 ? 37.070 -6.921 -9.334 1.00 36.29 ? 51 THR B CB 1 ATOM 421 O OG1 . THR A 1 52 ? 37.254 -7.802 -10.449 1.00 35.95 ? 51 THR B OG1 1 ATOM 422 C CG2 . THR A 1 52 ? 37.809 -7.486 -8.121 1.00 36.27 ? 51 THR B CG2 1 ATOM 423 N N . THR A 1 53 ? 34.896 -6.223 -6.781 1.00 35.38 ? 52 THR B N 1 ATOM 424 C CA . THR A 1 53 ? 34.656 -5.343 -5.647 1.00 35.60 ? 52 THR B CA 1 ATOM 425 C C . THR A 1 53 ? 35.414 -5.816 -4.434 1.00 34.87 ? 52 THR B C 1 ATOM 426 O O . THR A 1 53 ? 35.641 -7.000 -4.258 1.00 34.47 ? 52 THR B O 1 ATOM 427 C CB . THR A 1 53 ? 33.169 -5.262 -5.288 1.00 35.95 ? 52 THR B CB 1 ATOM 428 O OG1 . THR A 1 53 ? 32.711 -6.545 -4.847 1.00 37.05 ? 52 THR B OG1 1 ATOM 429 C CG2 . THR A 1 53 ? 32.360 -4.831 -6.489 1.00 36.09 ? 52 THR B CG2 1 ATOM 430 N N . ASN A 1 54 ? 35.810 -4.858 -3.611 1.00 34.89 ? 53 ASN B N 1 ATOM 431 C CA . ASN A 1 54 ? 36.370 -5.115 -2.302 1.00 34.60 ? 53 ASN B CA 1 ATOM 432 C C . ASN A 1 54 ? 35.208 -5.005 -1.308 1.00 34.00 ? 53 ASN B C 1 ATOM 433 O O . ASN A 1 54 ? 34.550 -3.978 -1.238 1.00 33.16 ? 53 ASN B O 1 ATOM 434 C CB . ASN A 1 54 ? 37.468 -4.098 -2.021 1.00 35.01 ? 53 ASN B CB 1 ATOM 435 C CG . ASN A 1 54 ? 38.069 -4.247 -0.654 1.00 35.80 ? 53 ASN B CG 1 ATOM 436 O OD1 . ASN A 1 54 ? 37.890 -5.274 0.030 1.00 36.10 ? 53 ASN B OD1 1 ATOM 437 N ND2 . ASN A 1 54 ? 38.799 -3.209 -0.228 1.00 36.25 ? 53 ASN B ND2 1 ATOM 438 N N . VAL A 1 55 ? 34.947 -6.084 -0.577 1.00 34.02 ? 54 VAL B N 1 ATOM 439 C CA . VAL A 1 55 ? 33.843 -6.136 0.367 1.00 34.95 ? 54 VAL B CA 1 ATOM 440 C C . VAL A 1 55 ? 34.322 -6.580 1.745 1.00 36.23 ? 54 VAL B C 1 ATOM 441 O O . VAL A 1 55 ? 35.460 -7.031 1.907 1.00 36.56 ? 54 VAL B O 1 ATOM 442 C CB . VAL A 1 55 ? 32.722 -7.103 -0.091 1.00 34.72 ? 54 VAL B CB 1 ATOM 443 C CG1 . VAL A 1 55 ? 32.316 -6.827 -1.533 1.00 34.47 ? 54 VAL B CG1 1 ATOM 444 C CG2 . VAL A 1 55 ? 33.135 -8.565 0.095 1.00 34.50 ? 54 VAL B CG2 1 ATOM 445 N N . ARG A 1 56 ? 33.439 -6.439 2.730 1.00 37.46 ? 55 ARG B N 1 ATOM 446 C CA . ARG A 1 56 ? 33.600 -7.088 4.024 1.00 38.33 ? 55 ARG B CA 1 ATOM 447 C C . ARG A 1 56 ? 32.335 -7.832 4.365 1.00 37.89 ? 55 ARG B C 1 ATOM 448 O O . ARG A 1 56 ? 31.220 -7.350 4.143 1.00 36.83 ? 55 ARG B O 1 ATOM 449 C CB . ARG A 1 56 ? 33.988 -6.096 5.118 1.00 40.19 ? 55 ARG B CB 1 ATOM 450 C CG . ARG A 1 56 ? 35.494 -6.030 5.297 1.00 41.97 ? 55 ARG B CG 1 ATOM 451 C CD . ARG A 1 56 ? 36.000 -4.733 5.898 1.00 43.74 ? 55 ARG B CD 1 ATOM 452 N NE . ARG A 1 56 ? 37.099 -4.208 5.093 1.00 46.12 ? 55 ARG B NE 1 ATOM 453 C CZ . ARG A 1 56 ? 37.693 -3.026 5.281 1.00 48.58 ? 55 ARG B CZ 1 ATOM 454 N NH1 . ARG A 1 56 ? 37.341 -2.222 6.292 1.00 49.58 ? 55 ARG B NH1 1 ATOM 455 N NH2 . ARG A 1 56 ? 38.664 -2.651 4.447 1.00 49.16 ? 55 ARG B NH2 1 ATOM 456 N N . LEU A 1 57 ? 32.543 -9.020 4.919 1.00 38.21 ? 56 LEU B N 1 ATOM 457 C CA . LEU A 1 57 ? 31.518 -10.022 5.076 1.00 38.36 ? 56 LEU B CA 1 ATOM 458 C C . LEU A 1 57 ? 31.209 -10.129 6.565 1.00 38.14 ? 56 LEU B C 1 ATOM 459 O O . LEU A 1 57 ? 31.689 -11.038 7.241 1.00 38.78 ? 56 LEU B O 1 ATOM 460 C CB . LEU A 1 57 ? 32.055 -11.332 4.491 1.00 39.13 ? 56 LEU B CB 1 ATOM 461 C CG . LEU A 1 57 ? 31.157 -12.558 4.501 1.00 40.25 ? 56 LEU B CG 1 ATOM 462 C CD1 . LEU A 1 57 ? 29.837 -12.248 3.826 1.00 40.94 ? 56 LEU B CD1 1 ATOM 463 C CD2 . LEU A 1 57 ? 31.843 -13.728 3.814 1.00 40.53 ? 56 LEU B CD2 1 ATOM 464 N N . LYS A 1 58 ? 30.419 -9.186 7.079 1.00 37.59 ? 57 LYS B N 1 ATOM 465 C CA . LYS A 1 58 ? 30.191 -9.085 8.515 1.00 37.63 ? 57 LYS B CA 1 ATOM 466 C C . LYS A 1 58 ? 29.333 -10.209 9.062 1.00 36.86 ? 57 LYS B C 1 ATOM 467 O O . LYS A 1 58 ? 28.248 -10.483 8.544 1.00 36.52 ? 57 LYS B O 1 ATOM 468 C CB . LYS A 1 58 ? 29.542 -7.765 8.890 1.00 38.86 ? 57 LYS B CB 1 ATOM 469 C CG . LYS A 1 58 ? 29.461 -7.570 10.405 1.00 39.31 ? 57 LYS B CG 1 ATOM 470 C CD . LYS A 1 58 ? 29.127 -6.141 10.753 1.00 39.69 ? 57 LYS B CD 1 ATOM 471 C CE . LYS A 1 58 ? 29.023 -5.935 12.248 1.00 40.20 ? 57 LYS B CE 1 ATOM 472 N NZ . LYS A 1 58 ? 29.008 -4.469 12.540 1.00 41.04 ? 57 LYS B NZ 1 ATOM 473 N N . GLN A 1 59 ? 29.833 -10.842 10.123 1.00 36.29 ? 58 GLN B N 1 ATOM 474 C CA . GLN A 1 59 ? 29.205 -12.024 10.727 1.00 35.68 ? 58 GLN B CA 1 ATOM 475 C C . GLN A 1 59 ? 29.130 -11.889 12.252 1.00 35.15 ? 58 GLN B C 1 ATOM 476 O O . GLN A 1 59 ? 30.087 -11.445 12.898 1.00 34.72 ? 58 GLN B O 1 ATOM 477 C CB . GLN A 1 59 ? 29.981 -13.278 10.356 1.00 35.45 ? 58 GLN B CB 1 ATOM 478 C CG . GLN A 1 59 ? 29.923 -13.608 8.882 1.00 35.59 ? 58 GLN B CG 1 ATOM 479 C CD . GLN A 1 59 ? 30.969 -14.623 8.478 1.00 35.65 ? 58 GLN B CD 1 ATOM 480 O OE1 . GLN A 1 59 ? 30.855 -15.806 8.817 1.00 36.40 ? 58 GLN B OE1 1 ATOM 481 N NE2 . GLN A 1 59 ? 31.991 -14.172 7.746 1.00 34.80 ? 58 GLN B NE2 1 ATOM 482 N N . GLN A 1 60 ? 27.980 -12.273 12.803 1.00 34.52 ? 59 GLN B N 1 ATOM 483 C CA . GLN A 1 60 ? 27.687 -12.117 14.218 1.00 34.16 ? 59 GLN B CA 1 ATOM 484 C C . GLN A 1 60 ? 26.955 -13.357 14.708 1.00 33.86 ? 59 GLN B C 1 ATOM 485 O O . GLN A 1 60 ? 25.930 -13.730 14.139 1.00 33.47 ? 59 GLN B O 1 ATOM 486 C CB . GLN A 1 60 ? 26.821 -10.884 14.446 1.00 34.33 ? 59 GLN B CB 1 ATOM 487 C CG . GLN A 1 60 ? 27.570 -9.568 14.539 1.00 34.52 ? 59 GLN B CG 1 ATOM 488 C CD . GLN A 1 60 ? 26.630 -8.398 14.829 1.00 34.89 ? 59 GLN B CD 1 ATOM 489 O OE1 . GLN A 1 60 ? 26.763 -7.729 15.843 1.00 36.02 ? 59 GLN B OE1 1 ATOM 490 N NE2 . GLN A 1 60 ? 25.663 -8.170 13.956 1.00 34.56 ? 59 GLN B NE2 1 ATOM 491 N N . TRP A 1 61 ? 27.494 -14.000 15.748 1.00 33.49 ? 60 TRP B N 1 ATOM 492 C CA . TRP A 1 61 ? 26.820 -15.133 16.408 1.00 32.92 ? 60 TRP B CA 1 ATOM 493 C C . TRP A 1 61 ? 27.331 -15.323 17.841 1.00 33.24 ? 60 TRP B C 1 ATOM 494 O O . TRP A 1 61 ? 28.349 -14.742 18.240 1.00 32.78 ? 60 TRP B O 1 ATOM 495 C CB . TRP A 1 61 ? 26.965 -16.429 15.585 1.00 32.08 ? 60 TRP B CB 1 ATOM 496 C CG . TRP A 1 61 ? 28.323 -17.049 15.654 1.00 31.60 ? 60 TRP B CG 1 ATOM 497 C CD1 . TRP A 1 61 ? 28.740 -18.011 16.522 1.00 31.45 ? 60 TRP B CD1 1 ATOM 498 C CD2 . TRP A 1 61 ? 29.449 -16.739 14.834 1.00 31.14 ? 60 TRP B CD2 1 ATOM 499 N NE1 . TRP A 1 61 ? 30.056 -18.313 16.303 1.00 31.03 ? 60 TRP B NE1 1 ATOM 500 C CE2 . TRP A 1 61 ? 30.516 -17.546 15.269 1.00 30.93 ? 60 TRP B CE2 1 ATOM 501 C CE3 . TRP A 1 61 ? 29.661 -15.853 13.774 1.00 31.07 ? 60 TRP B CE3 1 ATOM 502 C CZ2 . TRP A 1 61 ? 31.771 -17.506 14.677 1.00 30.89 ? 60 TRP B CZ2 1 ATOM 503 C CZ3 . TRP A 1 61 ? 30.909 -15.814 13.183 1.00 30.98 ? 60 TRP B CZ3 1 ATOM 504 C CH2 . TRP A 1 61 ? 31.951 -16.634 13.642 1.00 31.07 ? 60 TRP B CH2 1 ATOM 505 N N . VAL A 1 62 ? 26.602 -16.139 18.603 1.00 33.85 ? 61 VAL B N 1 ATOM 506 C CA . VAL A 1 62 ? 26.936 -16.449 20.002 1.00 34.14 ? 61 VAL B CA 1 ATOM 507 C C . VAL A 1 62 ? 27.529 -17.858 20.063 1.00 33.85 ? 61 VAL B C 1 ATOM 508 O O . VAL A 1 62 ? 26.909 -18.805 19.586 1.00 33.65 ? 61 VAL B O 1 ATOM 509 C CB . VAL A 1 62 ? 25.684 -16.318 20.927 1.00 34.39 ? 61 VAL B CB 1 ATOM 510 C CG1 . VAL A 1 62 ? 25.944 -16.889 22.314 1.00 34.60 ? 61 VAL B CG1 1 ATOM 511 C CG2 . VAL A 1 62 ? 25.273 -14.856 21.060 1.00 34.27 ? 61 VAL B CG2 1 ATOM 512 N N . ASP A 1 63 ? 28.742 -17.969 20.603 1.00 34.34 ? 62 ASP B N 1 ATOM 513 C CA . ASP A 1 63 ? 29.374 -19.267 20.890 1.00 35.35 ? 62 ASP B CA 1 ATOM 514 C C . ASP A 1 63 ? 29.218 -19.549 22.389 1.00 35.80 ? 62 ASP B C 1 ATOM 515 O O . ASP A 1 63 ? 29.994 -19.070 23.213 1.00 35.76 ? 62 ASP B O 1 ATOM 516 C CB . ASP A 1 63 ? 30.857 -19.301 20.464 1.00 35.37 ? 62 ASP B CB 1 ATOM 517 C CG . ASP A 1 63 ? 31.506 -20.701 20.620 1.00 36.00 ? 62 ASP B CG 1 ATOM 518 O OD1 . ASP A 1 63 ? 31.177 -21.427 21.593 1.00 36.62 ? 62 ASP B OD1 1 ATOM 519 O OD2 . ASP A 1 63 ? 32.355 -21.079 19.764 1.00 35.75 ? 62 ASP B OD2 1 ATOM 520 N N . TYR A 1 64 ? 28.196 -20.332 22.702 1.00 36.67 ? 63 TYR B N 1 ATOM 521 C CA . TYR A 1 64 ? 27.865 -20.782 24.057 1.00 38.10 ? 63 TYR B CA 1 ATOM 522 C C . TYR A 1 64 ? 29.065 -21.047 24.984 1.00 37.54 ? 63 TYR B C 1 ATOM 523 O O . TYR A 1 64 ? 29.106 -20.538 26.100 1.00 37.24 ? 63 TYR B O 1 ATOM 524 C CB . TYR A 1 64 ? 27.018 -22.055 23.938 1.00 39.44 ? 63 TYR B CB 1 ATOM 525 C CG . TYR A 1 64 ? 26.674 -22.720 25.239 1.00 40.77 ? 63 TYR B CG 1 ATOM 526 C CD1 . TYR A 1 64 ? 25.743 -22.137 26.113 1.00 41.89 ? 63 TYR B CD1 1 ATOM 527 C CD2 . TYR A 1 64 ? 27.253 -23.943 25.596 1.00 41.29 ? 63 TYR B CD2 1 ATOM 528 C CE1 . TYR A 1 64 ? 25.398 -22.748 27.315 1.00 42.71 ? 63 TYR B CE1 1 ATOM 529 C CE2 . TYR A 1 64 ? 26.924 -24.564 26.795 1.00 42.48 ? 63 TYR B CE2 1 ATOM 530 C CZ . TYR A 1 64 ? 25.995 -23.965 27.656 1.00 43.07 ? 63 TYR B CZ 1 ATOM 531 O OH . TYR A 1 64 ? 25.645 -24.570 28.842 1.00 43.20 ? 63 TYR B OH 1 ATOM 532 N N . ASN A 1 65 ? 30.041 -21.807 24.490 1.00 36.55 ? 64 ASN B N 1 ATOM 533 C CA . ASN A 1 65 ? 31.174 -22.257 25.301 1.00 36.15 ? 64 ASN B CA 1 ATOM 534 C C . ASN A 1 65 ? 32.317 -21.251 25.467 1.00 35.15 ? 64 ASN B C 1 ATOM 535 O O . ASN A 1 65 ? 33.347 -21.597 26.040 1.00 34.65 ? 64 ASN B O 1 ATOM 536 C CB . ASN A 1 65 ? 31.725 -23.567 24.719 1.00 36.78 ? 64 ASN B CB 1 ATOM 537 C CG . ASN A 1 65 ? 30.815 -24.746 24.984 1.00 37.45 ? 64 ASN B CG 1 ATOM 538 O OD1 . ASN A 1 65 ? 30.452 -25.007 26.130 1.00 38.75 ? 64 ASN B OD1 1 ATOM 539 N ND2 . ASN A 1 65 ? 30.447 -25.467 23.938 1.00 37.30 ? 64 ASN B ND2 1 ATOM 540 N N . LEU A 1 66 ? 32.138 -20.018 24.984 1.00 34.39 ? 65 LEU B N 1 ATOM 541 C CA . LEU A 1 66 ? 33.161 -18.971 25.072 1.00 34.08 ? 65 LEU B CA 1 ATOM 542 C C . LEU A 1 66 ? 32.818 -17.820 26.034 1.00 33.80 ? 65 LEU B C 1 ATOM 543 O O . LEU A 1 66 ? 33.420 -16.752 25.960 1.00 33.40 ? 65 LEU B O 1 ATOM 544 C CB . LEU A 1 66 ? 33.437 -18.423 23.655 1.00 34.05 ? 65 LEU B CB 1 ATOM 545 C CG . LEU A 1 66 ? 34.151 -19.369 22.678 1.00 33.91 ? 65 LEU B CG 1 ATOM 546 C CD1 . LEU A 1 66 ? 34.365 -18.669 21.349 1.00 33.97 ? 65 LEU B CD1 1 ATOM 547 C CD2 . LEU A 1 66 ? 35.487 -19.845 23.226 1.00 33.94 ? 65 LEU B CD2 1 ATOM 548 N N . LYS A 1 67 ? 31.861 -18.037 26.932 1.00 34.23 ? 66 LYS B N 1 ATOM 549 C CA . LYS A 1 67 ? 31.476 -17.032 27.926 1.00 34.69 ? 66 LYS B CA 1 ATOM 550 C C . LYS A 1 67 ? 32.495 -16.958 29.053 1.00 34.32 ? 66 LYS B C 1 ATOM 551 O O . LYS A 1 67 ? 33.208 -17.927 29.324 1.00 34.22 ? 66 LYS B O 1 ATOM 552 C CB . LYS A 1 67 ? 30.100 -17.358 28.510 1.00 35.68 ? 66 LYS B CB 1 ATOM 553 C CG . LYS A 1 67 ? 28.964 -17.137 27.525 1.00 36.42 ? 66 LYS B CG 1 ATOM 554 C CD . LYS A 1 67 ? 27.817 -18.137 27.688 1.00 37.65 ? 66 LYS B CD 1 ATOM 555 C CE . LYS A 1 67 ? 26.628 -17.534 28.405 1.00 38.70 ? 66 LYS B CE 1 ATOM 556 N NZ . LYS A 1 67 ? 25.892 -16.548 27.557 1.00 39.25 ? 66 LYS B NZ 1 ATOM 557 N N . TRP A 1 68 ? 32.579 -15.801 29.697 1.00 33.96 ? 67 TRP B N 1 ATOM 558 C CA . TRP A 1 68 ? 33.310 -15.700 30.968 1.00 33.94 ? 67 TRP B CA 1 ATOM 559 C C . TRP A 1 68 ? 32.720 -14.656 31.898 1.00 33.37 ? 67 TRP B C 1 ATOM 560 O O . TRP A 1 68 ? 31.882 -13.866 31.510 1.00 33.32 ? 67 TRP B O 1 ATOM 561 C CB . TRP A 1 68 ? 34.810 -15.456 30.743 1.00 33.94 ? 67 TRP B CB 1 ATOM 562 C CG . TRP A 1 68 ? 35.140 -14.095 30.254 1.00 33.85 ? 67 TRP B CG 1 ATOM 563 C CD1 . TRP A 1 68 ? 35.431 -12.996 31.005 1.00 34.01 ? 67 TRP B CD1 1 ATOM 564 C CD2 . TRP A 1 68 ? 35.223 -13.686 28.897 1.00 33.68 ? 67 TRP B CD2 1 ATOM 565 N NE1 . TRP A 1 68 ? 35.681 -11.923 30.197 1.00 33.97 ? 67 TRP B NE1 1 ATOM 566 C CE2 . TRP A 1 68 ? 35.563 -12.318 28.892 1.00 33.71 ? 67 TRP B CE2 1 ATOM 567 C CE3 . TRP A 1 68 ? 35.052 -14.347 27.673 1.00 33.40 ? 67 TRP B CE3 1 ATOM 568 C CZ2 . TRP A 1 68 ? 35.723 -11.594 27.710 1.00 33.41 ? 67 TRP B CZ2 1 ATOM 569 C CZ3 . TRP A 1 68 ? 35.205 -13.631 26.505 1.00 32.83 ? 67 TRP B CZ3 1 ATOM 570 C CH2 . TRP A 1 68 ? 35.539 -12.266 26.530 1.00 32.98 ? 67 TRP B CH2 1 ATOM 571 N N . ASN A 1 69 ? 33.177 -14.693 33.137 1.00 33.43 ? 68 ASN B N 1 ATOM 572 C CA . ASN A 1 69 ? 32.751 -13.784 34.183 1.00 33.65 ? 68 ASN B CA 1 ATOM 573 C C . ASN A 1 69 ? 33.839 -12.732 34.255 1.00 33.59 ? 68 ASN B C 1 ATOM 574 O O . ASN A 1 69 ? 34.981 -13.058 34.600 1.00 33.51 ? 68 ASN B O 1 ATOM 575 C CB . ASN A 1 69 ? 32.610 -14.552 35.519 1.00 33.93 ? 68 ASN B CB 1 ATOM 576 C CG . ASN A 1 69 ? 31.929 -13.736 36.613 1.00 34.35 ? 68 ASN B CG 1 ATOM 577 O OD1 . ASN A 1 69 ? 32.033 -12.501 36.656 1.00 34.38 ? 68 ASN B OD1 1 ATOM 578 N ND2 . ASN A 1 69 ? 31.226 -14.426 37.510 1.00 34.36 ? 68 ASN B ND2 1 ATOM 579 N N . PRO A 1 70 ? 33.514 -11.473 33.906 1.00 33.70 ? 69 PRO B N 1 ATOM 580 C CA . PRO A 1 70 ? 34.575 -10.454 33.903 1.00 33.91 ? 69 PRO B CA 1 ATOM 581 C C . PRO A 1 70 ? 35.322 -10.305 35.237 1.00 34.56 ? 69 PRO B C 1 ATOM 582 O O . PRO A 1 70 ? 36.511 -9.988 35.217 1.00 34.83 ? 69 PRO B O 1 ATOM 583 C CB . PRO A 1 70 ? 33.841 -9.164 33.525 1.00 33.82 ? 69 PRO B CB 1 ATOM 584 C CG . PRO A 1 70 ? 32.625 -9.613 32.800 1.00 33.55 ? 69 PRO B CG 1 ATOM 585 C CD . PRO A 1 70 ? 32.242 -10.943 33.382 1.00 33.56 ? 69 PRO B CD 1 ATOM 586 N N . ASP A 1 71 ? 34.654 -10.568 36.363 1.00 35.14 ? 70 ASP B N 1 ATOM 587 C CA . ASP A 1 71 ? 35.294 -10.510 37.687 1.00 35.83 ? 70 ASP B CA 1 ATOM 588 C C . ASP A 1 71 ? 36.460 -11.472 37.842 1.00 35.66 ? 70 ASP B C 1 ATOM 589 O O . ASP A 1 71 ? 37.424 -11.167 38.542 1.00 35.60 ? 70 ASP B O 1 ATOM 590 C CB . ASP A 1 71 ? 34.281 -10.770 38.812 1.00 36.74 ? 70 ASP B CB 1 ATOM 591 C CG . ASP A 1 71 ? 33.482 -9.534 39.181 1.00 37.52 ? 70 ASP B CG 1 ATOM 592 O OD1 . ASP A 1 71 ? 33.281 -8.663 38.316 1.00 38.63 ? 70 ASP B OD1 1 ATOM 593 O OD2 . ASP A 1 71 ? 33.048 -9.429 40.344 1.00 38.43 ? 70 ASP B OD2 1 ATOM 594 N N . ASP A 1 72 ? 36.363 -12.626 37.190 1.00 35.45 ? 71 ASP B N 1 ATOM 595 C CA . ASP A 1 72 ? 37.430 -13.633 37.220 1.00 35.22 ? 71 ASP B CA 1 ATOM 596 C C . ASP A 1 72 ? 38.706 -13.224 36.482 1.00 34.80 ? 71 ASP B C 1 ATOM 597 O O . ASP A 1 72 ? 39.764 -13.791 36.751 1.00 34.61 ? 71 ASP B O 1 ATOM 598 C CB . ASP A 1 72 ? 36.918 -14.970 36.656 1.00 34.95 ? 71 ASP B CB 1 ATOM 599 C CG . ASP A 1 72 ? 35.862 -15.623 37.545 1.00 35.33 ? 71 ASP B CG 1 ATOM 600 O OD1 . ASP A 1 72 ? 35.822 -15.356 38.767 1.00 36.06 ? 71 ASP B OD1 1 ATOM 601 O OD2 . ASP A 1 72 ? 35.076 -16.439 37.035 1.00 35.37 ? 71 ASP B OD2 1 ATOM 602 N N . TYR A 1 73 ? 38.606 -12.271 35.549 1.00 34.45 ? 72 TYR B N 1 ATOM 603 C CA . TYR A 1 73 ? 39.739 -11.894 34.682 1.00 34.30 ? 72 TYR B CA 1 ATOM 604 C C . TYR A 1 73 ? 39.943 -10.375 34.730 1.00 34.70 ? 72 TYR B C 1 ATOM 605 O O . TYR A 1 73 ? 40.066 -9.704 33.706 1.00 34.04 ? 72 TYR B O 1 ATOM 606 C CB . TYR A 1 73 ? 39.539 -12.473 33.252 1.00 33.49 ? 72 TYR B CB 1 ATOM 607 C CG . TYR A 1 73 ? 39.346 -13.979 33.305 1.00 33.22 ? 72 TYR B CG 1 ATOM 608 C CD1 . TYR A 1 73 ? 40.428 -14.851 33.343 1.00 33.13 ? 72 TYR B CD1 1 ATOM 609 C CD2 . TYR A 1 73 ? 38.079 -14.526 33.428 1.00 33.42 ? 72 TYR B CD2 1 ATOM 610 C CE1 . TYR A 1 73 ? 40.241 -16.229 33.442 1.00 33.23 ? 72 TYR B CE1 1 ATOM 611 C CE2 . TYR A 1 73 ? 37.885 -15.900 33.535 1.00 33.42 ? 72 TYR B CE2 1 ATOM 612 C CZ . TYR A 1 73 ? 38.963 -16.755 33.545 1.00 33.39 ? 72 TYR B CZ 1 ATOM 613 O OH . TYR A 1 73 ? 38.732 -18.126 33.670 1.00 33.46 ? 72 TYR B OH 1 ATOM 614 N N . GLY A 1 74 ? 39.956 -9.853 35.960 1.00 35.52 ? 73 GLY B N 1 ATOM 615 C CA . GLY A 1 74 ? 40.247 -8.451 36.242 1.00 36.19 ? 73 GLY B CA 1 ATOM 616 C C . GLY A 1 74 ? 39.352 -7.428 35.578 1.00 36.59 ? 73 GLY B C 1 ATOM 617 O O . GLY A 1 74 ? 39.769 -6.296 35.371 1.00 37.17 ? 73 GLY B O 1 ATOM 618 N N . GLY A 1 75 ? 38.122 -7.817 35.254 1.00 36.96 ? 74 GLY B N 1 ATOM 619 C CA . GLY A 1 75 ? 37.170 -6.943 34.575 1.00 37.29 ? 74 GLY B CA 1 ATOM 620 C C . GLY A 1 75 ? 37.262 -6.894 33.059 1.00 37.60 ? 74 GLY B C 1 ATOM 621 O O . GLY A 1 75 ? 36.677 -5.994 32.453 1.00 38.41 ? 74 GLY B O 1 ATOM 622 N N . VAL A 1 76 ? 37.979 -7.831 32.433 1.00 37.72 ? 75 VAL B N 1 ATOM 623 C CA . VAL A 1 76 ? 38.064 -7.877 30.965 1.00 38.23 ? 75 VAL B CA 1 ATOM 624 C C . VAL A 1 76 ? 36.705 -8.260 30.371 1.00 39.02 ? 75 VAL B C 1 ATOM 625 O O . VAL A 1 76 ? 36.146 -9.298 30.726 1.00 39.68 ? 75 VAL B O 1 ATOM 626 C CB . VAL A 1 76 ? 39.143 -8.870 30.476 1.00 37.64 ? 75 VAL B CB 1 ATOM 627 C CG1 . VAL A 1 76 ? 39.002 -9.147 28.988 1.00 37.08 ? 75 VAL B CG1 1 ATOM 628 C CG2 . VAL A 1 76 ? 40.530 -8.328 30.778 1.00 37.70 ? 75 VAL B CG2 1 ATOM 629 N N . LYS A 1 77 ? 36.178 -7.413 29.488 1.00 40.05 ? 76 LYS B N 1 ATOM 630 C CA . LYS A 1 77 ? 34.874 -7.643 28.863 1.00 41.17 ? 76 LYS B CA 1 ATOM 631 C C . LYS A 1 77 ? 34.940 -8.042 27.394 1.00 40.82 ? 76 LYS B C 1 ATOM 632 O O . LYS A 1 77 ? 33.930 -8.454 26.830 1.00 40.75 ? 76 LYS B O 1 ATOM 633 C CB . LYS A 1 77 ? 34.004 -6.403 28.994 1.00 42.63 ? 76 LYS B CB 1 ATOM 634 C CG . LYS A 1 77 ? 33.692 -5.999 30.422 1.00 44.10 ? 76 LYS B CG 1 ATOM 635 C CD . LYS A 1 77 ? 32.732 -4.818 30.431 1.00 45.93 ? 76 LYS B CD 1 ATOM 636 C CE . LYS A 1 77 ? 32.886 -3.966 31.687 1.00 47.96 ? 76 LYS B CE 1 ATOM 637 N NZ . LYS A 1 77 ? 32.690 -4.762 32.936 1.00 49.05 ? 76 LYS B NZ 1 ATOM 638 N N . LYS A 1 78 ? 36.105 -7.914 26.767 1.00 40.90 ? 77 LYS B N 1 ATOM 639 C CA . LYS A 1 78 ? 36.263 -8.347 25.397 1.00 41.17 ? 77 LYS B CA 1 ATOM 640 C C . LYS A 1 78 ? 37.721 -8.557 25.033 1.00 40.97 ? 77 LYS B C 1 ATOM 641 O O . LYS A 1 78 ? 38.596 -7.873 25.558 1.00 41.19 ? 77 LYS B O 1 ATOM 642 C CB . LYS A 1 78 ? 35.624 -7.345 24.438 1.00 42.35 ? 77 LYS B CB 1 ATOM 643 C CG . LYS A 1 78 ? 36.274 -5.970 24.414 1.00 43.57 ? 77 LYS B CG 1 ATOM 644 C CD . LYS A 1 78 ? 35.327 -4.935 23.823 1.00 44.95 ? 77 LYS B CD 1 ATOM 645 C CE . LYS A 1 78 ? 36.065 -3.660 23.424 1.00 46.36 ? 77 LYS B CE 1 ATOM 646 N NZ . LYS A 1 78 ? 36.643 -2.950 24.602 1.00 47.40 ? 77 LYS B NZ 1 ATOM 647 N N . ILE A 1 79 ? 37.962 -9.506 24.130 1.00 40.48 ? 78 ILE B N 1 ATOM 648 C CA . ILE A 1 79 ? 39.301 -9.829 23.631 1.00 40.31 ? 78 ILE B CA 1 ATOM 649 C C . ILE A 1 79 ? 39.289 -10.079 22.121 1.00 39.66 ? 78 ILE B C 1 ATOM 650 O O . ILE A 1 79 ? 38.257 -10.417 21.548 1.00 38.25 ? 78 ILE B O 1 ATOM 651 C CB . ILE A 1 79 ? 39.885 -11.081 24.329 1.00 40.18 ? 78 ILE B CB 1 ATOM 652 C CG1 . ILE A 1 79 ? 38.971 -12.300 24.151 1.00 40.00 ? 78 ILE B CG1 1 ATOM 653 C CG2 . ILE A 1 79 ? 40.093 -10.814 25.805 1.00 40.58 ? 78 ILE B CG2 1 ATOM 654 C CD1 . ILE A 1 79 ? 39.587 -13.582 24.662 1.00 40.35 ? 78 ILE B CD1 1 ATOM 655 N N . HIS A 1 80 ? 40.453 -9.921 21.501 1.00 40.12 ? 79 HIS B N 1 ATOM 656 C CA . HIS A 1 80 ? 40.652 -10.259 20.091 1.00 40.29 ? 79 HIS B CA 1 ATOM 657 C C . HIS A 1 80 ? 41.315 -11.601 20.005 1.00 40.10 ? 79 HIS B C 1 ATOM 658 O O . HIS A 1 80 ? 42.368 -11.791 20.585 1.00 40.90 ? 79 HIS B O 1 ATOM 659 C CB . HIS A 1 80 ? 41.523 -9.223 19.402 1.00 40.46 ? 79 HIS B CB 1 ATOM 660 C CG . HIS A 1 80 ? 40.889 -7.873 19.332 1.00 41.37 ? 79 HIS B CG 1 ATOM 661 N ND1 . HIS A 1 80 ? 39.932 -7.551 18.393 1.00 41.53 ? 79 HIS B ND1 1 ATOM 662 C CD2 . HIS A 1 80 ? 41.051 -6.772 20.100 1.00 42.16 ? 79 HIS B CD2 1 ATOM 663 C CE1 . HIS A 1 80 ? 39.544 -6.302 18.572 1.00 41.89 ? 79 HIS B CE1 1 ATOM 664 N NE2 . HIS A 1 80 ? 40.201 -5.809 19.608 1.00 43.02 ? 79 HIS B NE2 1 ATOM 665 N N . ILE A 1 81 ? 40.697 -12.544 19.305 1.00 40.30 ? 80 ILE B N 1 ATOM 666 C CA . ILE A 1 81 ? 41.335 -13.838 19.066 1.00 40.18 ? 80 ILE B CA 1 ATOM 667 C C . ILE A 1 81 ? 41.324 -14.179 17.579 1.00 38.87 ? 80 ILE B C 1 ATOM 668 O O . ILE A 1 81 ? 40.420 -13.750 16.863 1.00 38.38 ? 80 ILE B O 1 ATOM 669 C CB . ILE A 1 81 ? 40.667 -14.966 19.879 1.00 41.12 ? 80 ILE B CB 1 ATOM 670 C CG1 . ILE A 1 81 ? 39.268 -15.263 19.362 1.00 41.40 ? 80 ILE B CG1 1 ATOM 671 C CG2 . ILE A 1 81 ? 40.602 -14.602 21.362 1.00 41.15 ? 80 ILE B CG2 1 ATOM 672 C CD1 . ILE A 1 81 ? 38.753 -16.576 19.865 1.00 42.14 ? 80 ILE B CD1 1 ATOM 673 N N . PRO A 1 82 ? 42.309 -14.976 17.119 1.00 38.20 ? 81 PRO B N 1 ATOM 674 C CA . PRO A 1 82 ? 42.399 -15.369 15.699 1.00 37.34 ? 81 PRO B CA 1 ATOM 675 C C . PRO A 1 82 ? 41.220 -16.202 15.238 1.00 36.47 ? 81 PRO B C 1 ATOM 676 O O . PRO A 1 82 ? 40.881 -17.183 15.898 1.00 36.82 ? 81 PRO B O 1 ATOM 677 C CB . PRO A 1 82 ? 43.671 -16.223 15.654 1.00 37.61 ? 81 PRO B CB 1 ATOM 678 C CG . PRO A 1 82 ? 44.421 -15.866 16.894 1.00 37.84 ? 81 PRO B CG 1 ATOM 679 C CD . PRO A 1 82 ? 43.377 -15.613 17.914 1.00 38.13 ? 81 PRO B CD 1 ATOM 680 N N . SER A 1 83 ? 40.604 -15.837 14.120 1.00 35.44 ? 82 SER B N 1 ATOM 681 C CA . SER A 1 83 ? 39.459 -16.617 13.618 1.00 35.30 ? 82 SER B CA 1 ATOM 682 C C . SER A 1 83 ? 39.773 -18.099 13.336 1.00 34.99 ? 82 SER B C 1 ATOM 683 O O . SER A 1 83 ? 38.877 -18.931 13.386 1.00 34.40 ? 82 SER B O 1 ATOM 684 C CB . SER A 1 83 ? 38.828 -15.962 12.384 1.00 34.82 ? 82 SER B CB 1 ATOM 685 O OG . SER A 1 83 ? 39.812 -15.587 11.448 1.00 34.85 ? 82 SER B OG 1 ATOM 686 N N . GLU A 1 84 ? 41.036 -18.437 13.086 1.00 35.52 ? 83 GLU B N 1 ATOM 687 C CA . GLU A 1 84 ? 41.411 -19.842 12.878 1.00 36.46 ? 83 GLU B CA 1 ATOM 688 C C . GLU A 1 84 ? 41.194 -20.751 14.105 1.00 36.46 ? 83 GLU B C 1 ATOM 689 O O . GLU A 1 84 ? 41.065 -21.956 13.938 1.00 37.42 ? 83 GLU B O 1 ATOM 690 C CB . GLU A 1 84 ? 42.857 -19.979 12.387 1.00 36.92 ? 83 GLU B CB 1 ATOM 691 C CG . GLU A 1 84 ? 43.118 -19.369 11.010 1.00 37.31 ? 83 GLU B CG 1 ATOM 692 C CD . GLU A 1 84 ? 43.607 -17.924 11.049 1.00 37.67 ? 83 GLU B CD 1 ATOM 693 O OE1 . GLU A 1 84 ? 43.988 -17.412 9.973 1.00 37.77 ? 83 GLU B OE1 1 ATOM 694 O OE2 . GLU A 1 84 ? 43.610 -17.297 12.139 1.00 37.66 ? 83 GLU B OE2 1 ATOM 695 N N . LYS A 1 85 ? 41.132 -20.191 15.311 1.00 36.11 ? 84 LYS B N 1 ATOM 696 C CA . LYS A 1 85 ? 40.966 -20.998 16.522 1.00 36.39 ? 84 LYS B CA 1 ATOM 697 C C . LYS A 1 85 ? 39.537 -21.417 16.858 1.00 35.31 ? 84 LYS B C 1 ATOM 698 O O . LYS A 1 85 ? 39.363 -22.266 17.722 1.00 35.91 ? 84 LYS B O 1 ATOM 699 C CB . LYS A 1 85 ? 41.529 -20.265 17.735 1.00 37.64 ? 84 LYS B CB 1 ATOM 700 C CG . LYS A 1 85 ? 42.979 -19.851 17.575 1.00 39.09 ? 84 LYS B CG 1 ATOM 701 C CD . LYS A 1 85 ? 43.801 -20.133 18.815 1.00 40.27 ? 84 LYS B CD 1 ATOM 702 C CE . LYS A 1 85 ? 43.368 -19.296 19.996 1.00 41.05 ? 84 LYS B CE 1 ATOM 703 N NZ . LYS A 1 85 ? 44.118 -19.755 21.199 1.00 42.50 ? 84 LYS B NZ 1 ATOM 704 N N . ILE A 1 86 ? 38.527 -20.850 16.200 1.00 33.94 ? 85 ILE B N 1 ATOM 705 C CA . ILE A 1 86 ? 37.129 -21.041 16.621 1.00 33.21 ? 85 ILE B CA 1 ATOM 706 C C . ILE A 1 86 ? 36.262 -21.753 15.597 1.00 32.79 ? 85 ILE B C 1 ATOM 707 O O . ILE A 1 86 ? 36.612 -21.847 14.424 1.00 32.49 ? 85 ILE B O 1 ATOM 708 C CB . ILE A 1 86 ? 36.452 -19.694 17.017 1.00 32.78 ? 85 ILE B CB 1 ATOM 709 C CG1 . ILE A 1 86 ? 36.303 -18.744 15.825 1.00 32.59 ? 85 ILE B CG1 1 ATOM 710 C CG2 . ILE A 1 86 ? 37.241 -19.019 18.130 1.00 32.68 ? 85 ILE B CG2 1 ATOM 711 C CD1 . ILE A 1 86 ? 35.425 -17.557 16.121 1.00 32.55 ? 85 ILE B CD1 1 ATOM 712 N N . TRP A 1 87 ? 35.117 -22.248 16.055 1.00 32.78 ? 86 TRP B N 1 ATOM 713 C CA . TRP A 1 87 ? 34.055 -22.656 15.145 1.00 33.11 ? 86 TRP B CA 1 ATOM 714 C C . TRP A 1 87 ? 33.588 -21.435 14.346 1.00 33.63 ? 86 TRP B C 1 ATOM 715 O O . TRP A 1 87 ? 33.487 -20.326 14.882 1.00 32.76 ? 86 TRP B O 1 ATOM 716 C CB . TRP A 1 87 ? 32.863 -23.268 15.886 1.00 32.53 ? 86 TRP B CB 1 ATOM 717 C CG . TRP A 1 87 ? 31.753 -23.685 14.979 1.00 31.90 ? 86 TRP B CG 1 ATOM 718 C CD1 . TRP A 1 87 ? 31.601 -24.894 14.391 1.00 32.03 ? 86 TRP B CD1 1 ATOM 719 C CD2 . TRP A 1 87 ? 30.653 -22.882 14.537 1.00 31.58 ? 86 TRP B CD2 1 ATOM 720 N NE1 . TRP A 1 87 ? 30.460 -24.914 13.622 1.00 31.75 ? 86 TRP B NE1 1 ATOM 721 C CE2 . TRP A 1 87 ? 29.862 -23.689 13.689 1.00 31.46 ? 86 TRP B CE2 1 ATOM 722 C CE3 . TRP A 1 87 ? 30.259 -21.555 14.770 1.00 31.19 ? 86 TRP B CE3 1 ATOM 723 C CZ2 . TRP A 1 87 ? 28.702 -23.218 13.073 1.00 31.28 ? 86 TRP B CZ2 1 ATOM 724 C CZ3 . TRP A 1 87 ? 29.098 -21.089 14.165 1.00 30.95 ? 86 TRP B CZ3 1 ATOM 725 C CH2 . TRP A 1 87 ? 28.336 -21.919 13.322 1.00 31.10 ? 86 TRP B CH2 1 ATOM 726 N N . ARG A 1 88 ? 33.331 -21.668 13.060 1.00 35.04 ? 87 ARG B N 1 ATOM 727 C CA . ARG A 1 88 ? 32.744 -20.682 12.161 1.00 36.13 ? 87 ARG B CA 1 ATOM 728 C C . ARG A 1 88 ? 31.674 -21.383 11.326 1.00 36.76 ? 87 ARG B C 1 ATOM 729 O O . ARG A 1 88 ? 31.759 -22.598 11.124 1.00 36.91 ? 87 ARG B O 1 ATOM 730 C CB . ARG A 1 88 ? 33.827 -20.086 11.261 1.00 36.57 ? 87 ARG B CB 1 ATOM 731 C CG . ARG A 1 88 ? 35.045 -19.595 12.038 1.00 37.39 ? 87 ARG B CG 1 ATOM 732 C CD . ARG A 1 88 ? 36.117 -19.007 11.147 1.00 38.01 ? 87 ARG B CD 1 ATOM 733 N NE . ARG A 1 88 ? 36.714 -20.015 10.279 1.00 39.08 ? 87 ARG B NE 1 ATOM 734 C CZ . ARG A 1 88 ? 37.624 -20.920 10.645 1.00 40.37 ? 87 ARG B CZ 1 ATOM 735 N NH1 . ARG A 1 88 ? 38.081 -20.986 11.899 1.00 40.95 ? 87 ARG B NH1 1 ATOM 736 N NH2 . ARG A 1 88 ? 38.085 -21.784 9.739 1.00 40.80 ? 87 ARG B NH2 1 ATOM 737 N N . PRO A 1 89 ? 30.665 -20.628 10.841 1.00 37.77 ? 88 PRO B N 1 ATOM 738 C CA . PRO A 1 89 ? 29.637 -21.196 9.971 1.00 38.56 ? 88 PRO B CA 1 ATOM 739 C C . PRO A 1 89 ? 30.088 -21.525 8.549 1.00 39.97 ? 88 PRO B C 1 ATOM 740 O O . PRO A 1 89 ? 29.292 -22.087 7.793 1.00 41.81 ? 88 PRO B O 1 ATOM 741 C CB . PRO A 1 89 ? 28.575 -20.098 9.929 1.00 37.92 ? 88 PRO B CB 1 ATOM 742 C CG . PRO A 1 89 ? 29.343 -18.856 10.119 1.00 37.60 ? 88 PRO B CG 1 ATOM 743 C CD . PRO A 1 89 ? 30.382 -19.210 11.136 1.00 37.75 ? 88 PRO B CD 1 ATOM 744 N N . ASP A 1 90 ? 31.319 -21.168 8.175 1.00 40.63 ? 89 ASP B N 1 ATOM 745 C CA . ASP A 1 90 ? 31.849 -21.449 6.846 1.00 41.56 ? 89 ASP B CA 1 ATOM 746 C C . ASP A 1 90 ? 30.936 -20.817 5.766 1.00 41.49 ? 89 ASP B C 1 ATOM 747 O O . ASP A 1 90 ? 30.377 -21.485 4.888 1.00 41.80 ? 89 ASP B O 1 ATOM 748 C CB . ASP A 1 90 ? 32.052 -22.959 6.666 1.00 42.81 ? 89 ASP B CB 1 ATOM 749 C CG . ASP A 1 90 ? 33.065 -23.306 5.572 1.00 43.68 ? 89 ASP B CG 1 ATOM 750 O OD1 . ASP A 1 90 ? 33.721 -22.399 5.023 1.00 44.50 ? 89 ASP B OD1 1 ATOM 751 O OD2 . ASP A 1 90 ? 33.206 -24.510 5.268 1.00 44.74 ? 89 ASP B OD2 1 ATOM 752 N N . LEU A 1 91 ? 30.809 -19.503 5.876 1.00 40.97 ? 90 LEU B N 1 ATOM 753 C CA . LEU A 1 91 ? 29.972 -18.687 5.011 1.00 40.73 ? 90 LEU B CA 1 ATOM 754 C C . LEU A 1 91 ? 30.789 -18.214 3.792 1.00 40.13 ? 90 LEU B C 1 ATOM 755 O O . LEU A 1 91 ? 31.930 -17.762 3.942 1.00 39.31 ? 90 LEU B O 1 ATOM 756 C CB . LEU A 1 91 ? 29.473 -17.514 5.841 1.00 41.04 ? 90 LEU B CB 1 ATOM 757 C CG . LEU A 1 91 ? 28.330 -16.619 5.404 1.00 42.01 ? 90 LEU B CG 1 ATOM 758 C CD1 . LEU A 1 91 ? 27.065 -17.384 5.036 1.00 42.64 ? 90 LEU B CD1 1 ATOM 759 C CD2 . LEU A 1 91 ? 28.066 -15.651 6.550 1.00 42.75 ? 90 LEU B CD2 1 ATOM 760 N N . VAL A 1 92 ? 30.217 -18.339 2.591 1.00 39.78 ? 91 VAL B N 1 ATOM 761 C CA . VAL A 1 92 ? 30.964 -18.077 1.348 1.00 39.91 ? 91 VAL B CA 1 ATOM 762 C C . VAL A 1 92 ? 30.183 -17.250 0.330 1.00 39.96 ? 91 VAL B C 1 ATOM 763 O O . VAL A 1 92 ? 28.962 -17.218 0.338 1.00 39.05 ? 91 VAL B O 1 ATOM 764 C CB . VAL A 1 92 ? 31.476 -19.385 0.681 1.00 39.97 ? 91 VAL B CB 1 ATOM 765 C CG1 . VAL A 1 92 ? 32.442 -20.112 1.602 1.00 40.25 ? 91 VAL B CG1 1 ATOM 766 C CG2 . VAL A 1 92 ? 30.337 -20.327 0.298 1.00 40.08 ? 91 VAL B CG2 1 ATOM 767 N N . LEU A 1 93 ? 30.934 -16.587 -0.539 1.00 41.63 ? 92 LEU B N 1 ATOM 768 C CA . LEU A 1 93 ? 30.408 -15.760 -1.624 1.00 43.40 ? 92 LEU B CA 1 ATOM 769 C C . LEU A 1 93 ? 30.489 -16.546 -2.933 1.00 43.63 ? 92 LEU B C 1 ATOM 770 O O . LEU A 1 93 ? 31.484 -17.228 -3.165 1.00 42.11 ? 92 LEU B O 1 ATOM 771 C CB . LEU A 1 93 ? 31.233 -14.469 -1.755 1.00 44.91 ? 92 LEU B CB 1 ATOM 772 C CG . LEU A 1 93 ? 30.910 -13.260 -0.872 1.00 45.43 ? 92 LEU B CG 1 ATOM 773 C CD1 . LEU A 1 93 ? 32.118 -12.324 -0.746 1.00 45.71 ? 92 LEU B CD1 1 ATOM 774 C CD2 . LEU A 1 93 ? 29.710 -12.517 -1.458 1.00 45.85 ? 92 LEU B CD2 1 ATOM 775 N N . TYR A 1 94 ? 29.460 -16.447 -3.782 1.00 45.72 ? 93 TYR B N 1 ATOM 776 C CA . TYR A 1 94 ? 29.411 -17.222 -5.047 1.00 47.54 ? 93 TYR B CA 1 ATOM 777 C C . TYR A 1 94 ? 28.552 -16.574 -6.169 1.00 49.72 ? 93 TYR B C 1 ATOM 778 O O . TYR A 1 94 ? 27.989 -15.500 -5.987 1.00 47.98 ? 93 TYR B O 1 ATOM 779 C CB . TYR A 1 94 ? 29.047 -18.697 -4.761 1.00 46.92 ? 93 TYR B CB 1 ATOM 780 C CG . TYR A 1 94 ? 27.728 -18.930 -4.056 1.00 46.57 ? 93 TYR B CG 1 ATOM 781 C CD1 . TYR A 1 94 ? 27.638 -18.877 -2.662 1.00 46.11 ? 93 TYR B CD1 1 ATOM 782 C CD2 . TYR A 1 94 ? 26.568 -19.240 -4.780 1.00 46.33 ? 93 TYR B CD2 1 ATOM 783 C CE1 . TYR A 1 94 ? 26.426 -19.104 -2.014 1.00 46.25 ? 93 TYR B CE1 1 ATOM 784 C CE2 . TYR A 1 94 ? 25.357 -19.473 -4.142 1.00 45.92 ? 93 TYR B CE2 1 ATOM 785 C CZ . TYR A 1 94 ? 25.290 -19.401 -2.761 1.00 45.85 ? 93 TYR B CZ 1 ATOM 786 O OH . TYR A 1 94 ? 24.096 -19.627 -2.128 1.00 45.54 ? 93 TYR B OH 1 ATOM 787 N N . ASN A 1 95 ? 28.435 -17.275 -7.301 1.00 54.56 ? 94 ASN B N 1 ATOM 788 C CA . ASN A 1 95 ? 28.388 -16.688 -8.663 1.00 58.46 ? 94 ASN B CA 1 ATOM 789 C C . ASN A 1 95 ? 29.627 -15.784 -8.918 1.00 61.71 ? 94 ASN B C 1 ATOM 790 O O . ASN A 1 95 ? 29.548 -14.727 -9.549 1.00 61.41 ? 94 ASN B O 1 ATOM 791 C CB . ASN A 1 95 ? 26.979 -16.144 -9.081 1.00 59.22 ? 94 ASN B CB 1 ATOM 792 C CG . ASN A 1 95 ? 26.731 -14.671 -8.746 1.00 59.96 ? 94 ASN B CG 1 ATOM 793 O OD1 . ASN A 1 95 ? 25.870 -14.360 -7.927 1.00 59.35 ? 94 ASN B OD1 1 ATOM 794 N ND2 . ASN A 1 95 ? 27.422 -13.759 -9.437 1.00 60.61 ? 94 ASN B ND2 1 ATOM 795 N N . ASN A 1 96 ? 30.781 -16.261 -8.431 1.00 66.00 ? 95 ASN B N 1 ATOM 796 C CA . ASN A 1 96 ? 32.091 -15.617 -8.621 1.00 68.81 ? 95 ASN B CA 1 ATOM 797 C C . ASN A 1 96 ? 32.550 -15.931 -10.055 1.00 71.21 ? 95 ASN B C 1 ATOM 798 O O . ASN A 1 96 ? 32.808 -17.091 -10.386 1.00 71.59 ? 95 ASN B O 1 ATOM 799 C CB . ASN A 1 96 ? 33.090 -16.137 -7.555 1.00 68.39 ? 95 ASN B CB 1 ATOM 800 C CG . ASN A 1 96 ? 34.426 -15.392 -7.554 1.00 67.74 ? 95 ASN B CG 1 ATOM 801 O OD1 . ASN A 1 96 ? 34.591 -14.384 -6.869 1.00 67.08 ? 95 ASN B OD1 1 ATOM 802 N ND2 . ASN A 1 96 ? 35.394 -15.916 -8.287 1.00 66.98 ? 95 ASN B ND2 1 ATOM 803 N N . ALA A 1 97 ? 32.642 -14.898 -10.897 1.00 75.06 ? 96 ALA B N 1 ATOM 804 C CA . ALA A 1 97 ? 32.736 -15.069 -12.370 1.00 77.59 ? 96 ALA B CA 1 ATOM 805 C C . ALA A 1 97 ? 34.063 -15.627 -12.931 1.00 79.25 ? 96 ALA B C 1 ATOM 806 O O . ALA A 1 97 ? 34.176 -15.816 -14.142 1.00 79.31 ? 96 ALA B O 1 ATOM 807 C CB . ALA A 1 97 ? 32.364 -13.770 -13.084 1.00 77.54 ? 96 ALA B CB 1 ATOM 808 N N . ASP A 1 98 ? 35.062 -15.855 -12.076 1.00 82.27 ? 97 ASP B N 1 ATOM 809 C CA . ASP A 1 98 ? 36.207 -16.714 -12.431 1.00 85.13 ? 97 ASP B CA 1 ATOM 810 C C . ASP A 1 98 ? 36.817 -17.347 -11.167 1.00 85.12 ? 97 ASP B C 1 ATOM 811 O O . ASP A 1 98 ? 37.514 -16.674 -10.398 1.00 83.75 ? 97 ASP B O 1 ATOM 812 C CB . ASP A 1 98 ? 37.266 -15.947 -13.245 1.00 86.08 ? 97 ASP B CB 1 ATOM 813 C CG . ASP A 1 98 ? 38.137 -16.874 -14.096 1.00 85.58 ? 97 ASP B CG 1 ATOM 814 O OD1 . ASP A 1 98 ? 37.590 -17.548 -14.996 1.00 84.34 ? 97 ASP B OD1 1 ATOM 815 O OD2 . ASP A 1 98 ? 39.365 -16.925 -13.867 1.00 85.68 ? 97 ASP B OD2 1 ATOM 816 N N . GLY A 1 99 ? 36.552 -18.647 -10.984 1.00 85.14 ? 98 GLY B N 1 ATOM 817 C CA . GLY A 1 99 ? 36.772 -19.352 -9.709 1.00 83.43 ? 98 GLY B CA 1 ATOM 818 C C . GLY A 1 99 ? 35.445 -19.411 -8.966 1.00 81.67 ? 98 GLY B C 1 ATOM 819 O O . GLY A 1 99 ? 34.693 -18.443 -8.980 1.00 82.77 ? 98 GLY B O 1 ATOM 820 N N . ASP A 1 100 ? 35.149 -20.537 -8.321 1.00 78.00 ? 99 ASP B N 1 ATOM 821 C CA . ASP A 1 100 ? 33.819 -20.766 -7.724 1.00 74.80 ? 99 ASP B CA 1 ATOM 822 C C . ASP A 1 100 ? 33.538 -19.950 -6.446 1.00 69.55 ? 99 ASP B C 1 ATOM 823 O O . ASP A 1 100 ? 32.568 -19.194 -6.394 1.00 67.46 ? 99 ASP B O 1 ATOM 824 C CB . ASP A 1 100 ? 33.602 -22.270 -7.457 1.00 76.56 ? 99 ASP B CB 1 ATOM 825 C CG . ASP A 1 100 ? 33.158 -23.043 -8.705 1.00 79.04 ? 99 ASP B CG 1 ATOM 826 O OD1 . ASP A 1 100 ? 32.534 -22.447 -9.622 1.00 78.59 ? 99 ASP B OD1 1 ATOM 827 O OD2 . ASP A 1 100 ? 33.419 -24.268 -8.753 1.00 80.66 ? 99 ASP B OD2 1 ATOM 828 N N . PHE A 1 101 ? 34.377 -20.114 -5.426 1.00 65.26 ? 100 PHE B N 1 ATOM 829 C CA . PHE A 1 101 ? 34.188 -19.439 -4.137 1.00 62.94 ? 100 PHE B CA 1 ATOM 830 C C . PHE A 1 101 ? 35.259 -18.383 -3.899 1.00 61.23 ? 100 PHE B C 1 ATOM 831 O O . PHE A 1 101 ? 36.447 -18.628 -4.131 1.00 62.08 ? 100 PHE B O 1 ATOM 832 C CB . PHE A 1 101 ? 34.199 -20.452 -2.989 1.00 62.06 ? 100 PHE B CB 1 ATOM 833 C CG . PHE A 1 101 ? 33.050 -21.418 -3.028 1.00 61.51 ? 100 PHE B CG 1 ATOM 834 C CD1 . PHE A 1 101 ? 31.754 -20.980 -2.795 1.00 61.00 ? 100 PHE B CD1 1 ATOM 835 C CD2 . PHE A 1 101 ? 33.259 -22.765 -3.302 1.00 62.04 ? 100 PHE B CD2 1 ATOM 836 C CE1 . PHE A 1 101 ? 30.687 -21.865 -2.832 1.00 61.01 ? 100 PHE B CE1 1 ATOM 837 C CE2 . PHE A 1 101 ? 32.199 -23.656 -3.339 1.00 61.55 ? 100 PHE B CE2 1 ATOM 838 C CZ . PHE A 1 101 ? 30.913 -23.205 -3.101 1.00 61.55 ? 100 PHE B CZ 1 ATOM 839 N N . ALA A 1 102 ? 34.832 -17.216 -3.425 1.00 58.54 ? 101 ALA B N 1 ATOM 840 C CA . ALA A 1 102 ? 35.743 -16.119 -3.125 1.00 57.46 ? 101 ALA B CA 1 ATOM 841 C C . ALA A 1 102 ? 36.532 -16.403 -1.849 1.00 57.08 ? 101 ALA B C 1 ATOM 842 O O . ALA A 1 102 ? 35.977 -16.881 -0.855 1.00 55.60 ? 101 ALA B O 1 ATOM 843 C CB . ALA A 1 102 ? 34.969 -14.824 -2.988 1.00 57.04 ? 101 ALA B CB 1 ATOM 844 N N . ILE A 1 103 ? 37.825 -16.096 -1.878 1.00 57.73 ? 102 ILE B N 1 ATOM 845 C CA . ILE A 1 103 ? 38.701 -16.389 -0.747 1.00 57.63 ? 102 ILE B CA 1 ATOM 846 C C . ILE A 1 103 ? 38.587 -15.213 0.217 1.00 55.00 ? 102 ILE B C 1 ATOM 847 O O . ILE A 1 103 ? 38.749 -14.054 -0.179 1.00 54.51 ? 102 ILE B O 1 ATOM 848 C CB . ILE A 1 103 ? 40.181 -16.657 -1.152 1.00 59.63 ? 102 ILE B CB 1 ATOM 849 C CG1 . ILE A 1 103 ? 40.258 -17.614 -2.360 1.00 60.96 ? 102 ILE B CG1 1 ATOM 850 C CG2 . ILE A 1 103 ? 40.942 -17.256 0.034 1.00 59.77 ? 102 ILE B CG2 1 ATOM 851 C CD1 . ILE A 1 103 ? 41.659 -18.012 -2.799 1.00 62.02 ? 102 ILE B CD1 1 ATOM 852 N N . VAL A 1 104 ? 38.302 -15.545 1.477 1.00 52.79 ? 103 VAL B N 1 ATOM 853 C CA . VAL A 1 104 ? 38.018 -14.598 2.548 1.00 50.41 ? 103 VAL B CA 1 ATOM 854 C C . VAL A 1 104 ? 39.170 -14.653 3.551 1.00 49.15 ? 103 VAL B C 1 ATOM 855 O O . VAL A 1 104 ? 39.496 -15.730 4.060 1.00 48.78 ? 103 VAL B O 1 ATOM 856 C CB . VAL A 1 104 ? 36.700 -14.991 3.227 1.00 50.44 ? 103 VAL B CB 1 ATOM 857 C CG1 . VAL A 1 104 ? 36.460 -14.181 4.485 1.00 50.76 ? 103 VAL B CG1 1 ATOM 858 C CG2 . VAL A 1 104 ? 35.542 -14.833 2.243 1.00 50.72 ? 103 VAL B CG2 1 ATOM 859 N N . LYS A 1 105 ? 39.780 -13.497 3.824 1.00 47.53 ? 104 LYS B N 1 ATOM 860 C CA . LYS A 1 105 ? 40.948 -13.402 4.718 1.00 46.38 ? 104 LYS B CA 1 ATOM 861 C C . LYS A 1 105 ? 40.552 -13.555 6.186 1.00 45.36 ? 104 LYS B C 1 ATOM 862 O O . LYS A 1 105 ? 39.688 -12.838 6.670 1.00 44.85 ? 104 LYS B O 1 ATOM 863 C CB . LYS A 1 105 ? 41.681 -12.067 4.540 1.00 46.30 ? 104 LYS B CB 1 ATOM 864 C CG . LYS A 1 105 ? 43.066 -12.066 5.161 1.00 46.61 ? 104 LYS B CG 1 ATOM 865 C CD . LYS A 1 105 ? 43.651 -10.682 5.382 1.00 46.30 ? 104 LYS B CD 1 ATOM 866 C CE . LYS A 1 105 ? 44.851 -10.796 6.306 1.00 46.60 ? 104 LYS B CE 1 ATOM 867 N NZ . LYS A 1 105 ? 45.641 -9.547 6.363 1.00 47.56 ? 104 LYS B NZ 1 ATOM 868 N N . PHE A 1 106 ? 41.215 -14.471 6.891 1.00 44.65 ? 105 PHE B N 1 ATOM 869 C CA . PHE A 1 106 ? 40.900 -14.756 8.288 1.00 43.89 ? 105 PHE B CA 1 ATOM 870 C C . PHE A 1 106 ? 41.562 -13.734 9.221 1.00 42.28 ? 105 PHE B C 1 ATOM 871 O O . PHE A 1 106 ? 42.672 -13.919 9.714 1.00 41.87 ? 105 PHE B O 1 ATOM 872 C CB . PHE A 1 106 ? 41.271 -16.209 8.638 1.00 45.23 ? 105 PHE B CB 1 ATOM 873 C CG . PHE A 1 106 ? 40.512 -17.259 7.842 1.00 46.72 ? 105 PHE B CG 1 ATOM 874 C CD1 . PHE A 1 106 ? 39.307 -16.971 7.171 1.00 47.89 ? 105 PHE B CD1 1 ATOM 875 C CD2 . PHE A 1 106 ? 40.992 -18.554 7.776 1.00 47.59 ? 105 PHE B CD2 1 ATOM 876 C CE1 . PHE A 1 106 ? 38.633 -17.946 6.451 1.00 48.02 ? 105 PHE B CE1 1 ATOM 877 C CE2 . PHE A 1 106 ? 40.314 -19.530 7.057 1.00 48.24 ? 105 PHE B CE2 1 ATOM 878 C CZ . PHE A 1 106 ? 39.134 -19.230 6.399 1.00 48.14 ? 105 PHE B CZ 1 ATOM 879 N N . THR A 1 107 ? 40.853 -12.629 9.416 1.00 40.42 ? 106 THR B N 1 ATOM 880 C CA . THR A 1 107 ? 41.192 -11.627 10.418 1.00 39.19 ? 106 THR B CA 1 ATOM 881 C C . THR A 1 107 ? 40.713 -12.067 11.809 1.00 38.14 ? 106 THR B C 1 ATOM 882 O O . THR A 1 107 ? 39.895 -12.990 11.939 1.00 37.00 ? 106 THR B O 1 ATOM 883 C CB . THR A 1 107 ? 40.521 -10.289 10.063 1.00 38.54 ? 106 THR B CB 1 ATOM 884 O OG1 . THR A 1 107 ? 39.150 -10.526 9.720 1.00 37.67 ? 106 THR B OG1 1 ATOM 885 C CG2 . THR A 1 107 ? 41.212 -9.668 8.892 1.00 38.70 ? 106 THR B CG2 1 ATOM 886 N N . LYS A 1 108 ? 41.194 -11.365 12.834 1.00 37.40 ? 107 LYS B N 1 ATOM 887 C CA . LYS A 1 108 ? 40.781 -11.620 14.212 1.00 37.14 ? 107 LYS B CA 1 ATOM 888 C C . LYS A 1 108 ? 39.301 -11.333 14.428 1.00 35.80 ? 107 LYS B C 1 ATOM 889 O O . LYS A 1 108 ? 38.728 -10.467 13.774 1.00 35.42 ? 107 LYS B O 1 ATOM 890 C CB . LYS A 1 108 ? 41.576 -10.766 15.186 1.00 38.94 ? 107 LYS B CB 1 ATOM 891 C CG . LYS A 1 108 ? 43.081 -10.950 15.083 1.00 40.69 ? 107 LYS B CG 1 ATOM 892 C CD . LYS A 1 108 ? 43.781 -10.967 16.446 1.00 41.72 ? 107 LYS B CD 1 ATOM 893 C CE . LYS A 1 108 ? 45.252 -10.598 16.332 1.00 42.46 ? 107 LYS B CE 1 ATOM 894 N NZ . LYS A 1 108 ? 45.904 -11.176 15.113 1.00 43.00 ? 107 LYS B NZ 1 ATOM 895 N N . VAL A 1 109 ? 38.689 -12.090 15.333 1.00 34.92 ? 108 VAL B N 1 ATOM 896 C CA . VAL A 1 109 ? 37.328 -11.816 15.804 1.00 34.37 ? 108 VAL B CA 1 ATOM 897 C C . VAL A 1 109 ? 37.427 -10.996 17.093 1.00 33.94 ? 108 VAL B C 1 ATOM 898 O O . VAL A 1 109 ? 38.476 -10.965 17.751 1.00 33.00 ? 108 VAL B O 1 ATOM 899 C CB . VAL A 1 109 ? 36.472 -13.108 16.021 1.00 34.56 ? 108 VAL B CB 1 ATOM 900 C CG1 . VAL A 1 109 ? 36.534 -13.989 14.789 1.00 34.56 ? 108 VAL B CG1 1 ATOM 901 C CG2 . VAL A 1 109 ? 36.907 -13.939 17.235 1.00 34.88 ? 108 VAL B CG2 1 ATOM 902 N N . LEU A 1 110 ? 36.334 -10.302 17.399 1.00 33.61 ? 109 LEU B N 1 ATOM 903 C CA . LEU A 1 110 ? 36.132 -9.645 18.673 1.00 33.52 ? 109 LEU B CA 1 ATOM 904 C C . LEU A 1 110 ? 35.221 -10.568 19.451 1.00 33.09 ? 109 LEU B C 1 ATOM 905 O O . LEU A 1 110 ? 34.101 -10.830 19.030 1.00 33.05 ? 109 LEU B O 1 ATOM 906 C CB . LEU A 1 110 ? 35.465 -8.285 18.480 1.00 33.69 ? 109 LEU B CB 1 ATOM 907 C CG . LEU A 1 110 ? 35.046 -7.573 19.776 1.00 34.25 ? 109 LEU B CG 1 ATOM 908 C CD1 . LEU A 1 110 ? 36.254 -7.159 20.591 1.00 34.44 ? 109 LEU B CD1 1 ATOM 909 C CD2 . LEU A 1 110 ? 34.181 -6.367 19.455 1.00 34.65 ? 109 LEU B CD2 1 ATOM 910 N N . LEU A 1 111 ? 35.707 -11.067 20.577 1.00 33.17 ? 110 LEU B N 1 ATOM 911 C CA . LEU A 1 111 ? 34.916 -11.910 21.473 1.00 33.03 ? 110 LEU B CA 1 ATOM 912 C C . LEU A 1 111 ? 34.591 -11.127 22.744 1.00 32.94 ? 110 LEU B C 1 ATOM 913 O O . LEU A 1 111 ? 35.478 -10.592 23.380 1.00 32.59 ? 110 LEU B O 1 ATOM 914 C CB . LEU A 1 111 ? 35.688 -13.177 21.810 1.00 32.79 ? 110 LEU B CB 1 ATOM 915 C CG . LEU A 1 111 ? 35.060 -14.150 22.805 1.00 32.74 ? 110 LEU B CG 1 ATOM 916 C CD1 . LEU A 1 111 ? 33.768 -14.772 22.297 1.00 32.68 ? 110 LEU B CD1 1 ATOM 917 C CD2 . LEU A 1 111 ? 36.088 -15.219 23.134 1.00 32.92 ? 110 LEU B CD2 1 ATOM 918 N N . GLN A 1 112 ? 33.307 -11.078 23.083 1.00 33.33 ? 111 GLN B N 1 ATOM 919 C CA . GLN A 1 112 ? 32.796 -10.417 24.283 1.00 33.69 ? 111 GLN B CA 1 ATOM 920 C C . GLN A 1 112 ? 32.453 -11.478 25.324 1.00 33.12 ? 111 GLN B C 1 ATOM 921 O O . GLN A 1 112 ? 32.180 -12.614 24.969 1.00 32.59 ? 111 GLN B O 1 ATOM 922 C CB . GLN A 1 112 ? 31.564 -9.571 23.926 1.00 34.25 ? 111 GLN B CB 1 ATOM 923 C CG . GLN A 1 112 ? 31.901 -8.407 22.991 1.00 34.84 ? 111 GLN B CG 1 ATOM 924 C CD . GLN A 1 112 ? 30.687 -7.626 22.512 1.00 35.20 ? 111 GLN B CD 1 ATOM 925 O OE1 . GLN A 1 112 ? 30.420 -7.547 21.314 1.00 35.18 ? 111 GLN B OE1 1 ATOM 926 N NE2 . GLN A 1 112 ? 29.954 -7.040 23.444 1.00 36.06 ? 111 GLN B NE2 1 ATOM 927 N N . TYR A 1 113 ? 32.466 -11.085 26.600 1.00 33.18 ? 112 TYR B N 1 ATOM 928 C CA . TYR A 1 113 ? 32.222 -11.989 27.753 1.00 33.10 ? 112 TYR B CA 1 ATOM 929 C C . TYR A 1 113 ? 30.915 -12.782 27.728 1.00 32.42 ? 112 TYR B C 1 ATOM 930 O O . TYR A 1 113 ? 30.813 -13.805 28.396 1.00 31.88 ? 112 TYR B O 1 ATOM 931 C CB . TYR A 1 113 ? 32.321 -11.228 29.089 1.00 33.76 ? 112 TYR B CB 1 ATOM 932 C CG . TYR A 1 113 ? 31.158 -10.277 29.375 1.00 34.31 ? 112 TYR B CG 1 ATOM 933 C CD1 . TYR A 1 113 ? 31.199 -8.943 28.954 1.00 34.44 ? 112 TYR B CD1 1 ATOM 934 C CD2 . TYR A 1 113 ? 30.027 -10.708 30.085 1.00 34.50 ? 112 TYR B CD2 1 ATOM 935 C CE1 . TYR A 1 113 ? 30.152 -8.072 29.215 1.00 34.93 ? 112 TYR B CE1 1 ATOM 936 C CE2 . TYR A 1 113 ? 28.968 -9.847 30.349 1.00 34.81 ? 112 TYR B CE2 1 ATOM 937 C CZ . TYR A 1 113 ? 29.032 -8.528 29.915 1.00 35.22 ? 112 TYR B CZ 1 ATOM 938 O OH . TYR A 1 113 ? 27.992 -7.656 30.165 1.00 35.36 ? 112 TYR B OH 1 ATOM 939 N N . THR A 1 114 ? 29.938 -12.306 26.959 1.00 32.13 ? 113 THR B N 1 ATOM 940 C CA . THR A 1 114 ? 28.674 -13.008 26.745 1.00 32.22 ? 113 THR B CA 1 ATOM 941 C C . THR A 1 114 ? 28.732 -14.153 25.736 1.00 31.95 ? 113 THR B C 1 ATOM 942 O O . THR A 1 114 ? 27.724 -14.799 25.510 1.00 31.92 ? 113 THR B O 1 ATOM 943 C CB . THR A 1 114 ? 27.590 -12.046 26.230 1.00 32.36 ? 113 THR B CB 1 ATOM 944 O OG1 . THR A 1 114 ? 27.977 -11.547 24.944 1.00 32.38 ? 113 THR B OG1 1 ATOM 945 C CG2 . THR A 1 114 ? 27.373 -10.883 27.194 1.00 32.58 ? 113 THR B CG2 1 ATOM 946 N N . GLY A 1 115 ? 29.894 -14.409 25.140 1.00 32.31 ? 114 GLY B N 1 ATOM 947 C CA . GLY A 1 115 ? 30.029 -15.367 24.042 1.00 32.54 ? 114 GLY B CA 1 ATOM 948 C C . GLY A 1 115 ? 29.805 -14.766 22.657 1.00 32.82 ? 114 GLY B C 1 ATOM 949 O O . GLY A 1 115 ? 29.916 -15.479 21.667 1.00 32.76 ? 114 GLY B O 1 ATOM 950 N N . HIS A 1 116 ? 29.520 -13.463 22.579 1.00 33.29 ? 115 HIS B N 1 ATOM 951 C CA . HIS A 1 116 ? 29.169 -12.818 21.324 1.00 33.69 ? 115 HIS B CA 1 ATOM 952 C C . HIS A 1 116 ? 30.417 -12.647 20.450 1.00 33.62 ? 115 HIS B C 1 ATOM 953 O O . HIS A 1 116 ? 31.426 -12.090 20.891 1.00 33.33 ? 115 HIS B O 1 ATOM 954 C CB . HIS A 1 116 ? 28.495 -11.469 21.583 1.00 34.44 ? 115 HIS B CB 1 ATOM 955 C CG . HIS A 1 116 ? 27.884 -10.854 20.362 1.00 35.43 ? 115 HIS B CG 1 ATOM 956 N ND1 . HIS A 1 116 ? 28.608 -10.082 19.475 1.00 35.86 ? 115 HIS B ND1 1 ATOM 957 C CD2 . HIS A 1 116 ? 26.620 -10.902 19.873 1.00 35.97 ? 115 HIS B CD2 1 ATOM 958 C CE1 . HIS A 1 116 ? 27.815 -9.680 18.495 1.00 35.95 ? 115 HIS B CE1 1 ATOM 959 N NE2 . HIS A 1 116 ? 26.607 -10.172 18.707 1.00 36.10 ? 115 HIS B NE2 1 ATOM 960 N N . ILE A 1 117 ? 30.344 -13.158 19.219 1.00 33.63 ? 116 ILE B N 1 ATOM 961 C CA . ILE A 1 117 ? 31.430 -13.039 18.250 1.00 33.41 ? 116 ILE B CA 1 ATOM 962 C C . ILE A 1 117 ? 31.016 -12.056 17.165 1.00 33.13 ? 116 ILE B C 1 ATOM 963 O O . ILE A 1 117 ? 29.923 -12.166 16.631 1.00 33.24 ? 116 ILE B O 1 ATOM 964 C CB . ILE A 1 117 ? 31.829 -14.411 17.663 1.00 33.55 ? 116 ILE B CB 1 ATOM 965 C CG1 . ILE A 1 117 ? 32.672 -15.172 18.700 1.00 33.76 ? 116 ILE B CG1 1 ATOM 966 C CG2 . ILE A 1 117 ? 32.645 -14.251 16.374 1.00 33.53 ? 116 ILE B CG2 1 ATOM 967 C CD1 . ILE A 1 117 ? 32.715 -16.663 18.493 1.00 33.81 ? 116 ILE B CD1 1 ATOM 968 N N . THR A 1 118 ? 31.891 -11.087 16.889 1.00 32.86 ? 117 THR B N 1 ATOM 969 C CA . THR A 1 118 ? 31.783 -10.205 15.733 1.00 32.88 ? 117 THR B CA 1 ATOM 970 C C . THR A 1 118 ? 33.015 -10.421 14.855 1.00 32.04 ? 117 THR B C 1 ATOM 971 O O . THR A 1 118 ? 34.133 -10.354 15.352 1.00 32.41 ? 117 THR B O 1 ATOM 972 C CB . THR A 1 118 ? 31.728 -8.725 16.163 1.00 33.63 ? 117 THR B CB 1 ATOM 973 O OG1 . THR A 1 118 ? 30.622 -8.528 17.052 1.00 34.48 ? 117 THR B OG1 1 ATOM 974 C CG2 . THR A 1 118 ? 31.570 -7.798 14.952 1.00 33.64 ? 117 THR B CG2 1 ATOM 975 N N . TRP A 1 119 ? 32.807 -10.677 13.562 1.00 31.04 ? 118 TRP B N 1 ATOM 976 C CA . TRP A 1 119 ? 33.900 -10.938 12.609 1.00 30.16 ? 118 TRP B CA 1 ATOM 977 C C . TRP A 1 119 ? 33.611 -10.250 11.267 1.00 29.91 ? 118 TRP B C 1 ATOM 978 O O . TRP A 1 119 ? 32.538 -10.421 10.696 1.00 29.81 ? 118 TRP B O 1 ATOM 979 C CB . TRP A 1 119 ? 34.040 -12.443 12.431 1.00 29.56 ? 118 TRP B CB 1 ATOM 980 C CG . TRP A 1 119 ? 35.197 -12.920 11.611 1.00 29.08 ? 118 TRP B CG 1 ATOM 981 C CD1 . TRP A 1 119 ? 36.453 -12.393 11.567 1.00 29.03 ? 118 TRP B CD1 1 ATOM 982 C CD2 . TRP A 1 119 ? 35.212 -14.069 10.763 1.00 28.65 ? 118 TRP B CD2 1 ATOM 983 N NE1 . TRP A 1 119 ? 37.248 -13.132 10.724 1.00 28.81 ? 118 TRP B NE1 1 ATOM 984 C CE2 . TRP A 1 119 ? 36.509 -14.169 10.218 1.00 28.58 ? 118 TRP B CE2 1 ATOM 985 C CE3 . TRP A 1 119 ? 34.241 -15.015 10.388 1.00 28.55 ? 118 TRP B CE3 1 ATOM 986 C CZ2 . TRP A 1 119 ? 36.867 -15.175 9.312 1.00 28.62 ? 118 TRP B CZ2 1 ATOM 987 C CZ3 . TRP A 1 119 ? 34.591 -16.016 9.499 1.00 28.41 ? 118 TRP B CZ3 1 ATOM 988 C CH2 . TRP A 1 119 ? 35.899 -16.090 8.965 1.00 28.63 ? 118 TRP B CH2 1 ATOM 989 N N . THR A 1 120 ? 34.579 -9.487 10.769 1.00 29.95 ? 119 THR B N 1 ATOM 990 C CA . THR A 1 120 ? 34.407 -8.661 9.581 1.00 30.15 ? 119 THR B CA 1 ATOM 991 C C . THR A 1 120 ? 35.565 -8.909 8.609 1.00 30.36 ? 119 THR B C 1 ATOM 992 O O . THR A 1 120 ? 36.318 -7.992 8.278 1.00 30.29 ? 119 THR B O 1 ATOM 993 C CB . THR A 1 120 ? 34.317 -7.171 9.987 1.00 30.37 ? 119 THR B CB 1 ATOM 994 O OG1 . THR A 1 120 ? 33.340 -7.014 11.013 1.00 30.60 ? 119 THR B OG1 1 ATOM 995 C CG2 . THR A 1 120 ? 33.876 -6.309 8.840 1.00 30.86 ? 119 THR B CG2 1 ATOM 996 N N . PRO A 1 121 ? 35.710 -10.160 8.134 1.00 30.77 ? 120 PRO B N 1 ATOM 997 C CA . PRO A 1 121 ? 36.817 -10.477 7.242 1.00 31.21 ? 120 PRO B CA 1 ATOM 998 C C . PRO A 1 121 ? 36.659 -9.832 5.846 1.00 31.94 ? 120 PRO B C 1 ATOM 999 O O . PRO A 1 121 ? 35.544 -9.780 5.321 1.00 31.63 ? 120 PRO B O 1 ATOM 1000 C CB . PRO A 1 121 ? 36.760 -12.005 7.156 1.00 30.64 ? 120 PRO B CB 1 ATOM 1001 C CG . PRO A 1 121 ? 35.322 -12.319 7.284 1.00 30.53 ? 120 PRO B CG 1 ATOM 1002 C CD . PRO A 1 121 ? 34.792 -11.306 8.268 1.00 30.61 ? 120 PRO B CD 1 ATOM 1003 N N . PRO A 1 122 ? 37.770 -9.331 5.263 1.00 33.22 ? 121 PRO B N 1 ATOM 1004 C CA . PRO A 1 122 ? 37.723 -8.707 3.944 1.00 33.45 ? 121 PRO B CA 1 ATOM 1005 C C . PRO A 1 122 ? 37.806 -9.738 2.854 1.00 33.65 ? 121 PRO B C 1 ATOM 1006 O O . PRO A 1 122 ? 38.348 -10.827 3.070 1.00 33.58 ? 121 PRO B O 1 ATOM 1007 C CB . PRO A 1 122 ? 38.988 -7.842 3.930 1.00 33.94 ? 121 PRO B CB 1 ATOM 1008 C CG . PRO A 1 122 ? 39.970 -8.624 4.740 1.00 33.84 ? 121 PRO B CG 1 ATOM 1009 C CD . PRO A 1 122 ? 39.139 -9.267 5.833 1.00 33.66 ? 121 PRO B CD 1 ATOM 1010 N N . ALA A 1 123 ? 37.289 -9.379 1.686 1.00 34.21 ? 122 ALA B N 1 ATOM 1011 C CA . ALA A 1 123 ? 37.319 -10.249 0.510 1.00 34.31 ? 122 ALA B CA 1 ATOM 1012 C C . ALA A 1 123 ? 37.250 -9.445 -0.789 1.00 34.81 ? 122 ALA B C 1 ATOM 1013 O O . ALA A 1 123 ? 36.817 -8.290 -0.805 1.00 34.46 ? 122 ALA B O 1 ATOM 1014 C CB . ALA A 1 123 ? 36.179 -11.252 0.575 1.00 33.76 ? 122 ALA B CB 1 ATOM 1015 N N . ILE A 1 124 ? 37.689 -10.079 -1.871 1.00 36.06 ? 123 ILE B N 1 ATOM 1016 C CA . ILE A 1 124 ? 37.579 -9.535 -3.222 1.00 37.14 ? 123 ILE B CA 1 ATOM 1017 C C . ILE A 1 124 ? 36.663 -10.464 -4.017 1.00 37.93 ? 123 ILE B C 1 ATOM 1018 O O . ILE A 1 124 ? 36.911 -11.670 -4.080 1.00 37.85 ? 123 ILE B O 1 ATOM 1019 C CB . ILE A 1 124 ? 38.962 -9.447 -3.882 1.00 37.56 ? 123 ILE B CB 1 ATOM 1020 C CG1 . ILE A 1 124 ? 39.849 -8.467 -3.115 1.00 38.11 ? 123 ILE B CG1 1 ATOM 1021 C CG2 . ILE A 1 124 ? 38.852 -8.987 -5.320 1.00 37.98 ? 123 ILE B CG2 1 ATOM 1022 C CD1 . ILE A 1 124 ? 41.316 -8.805 -3.211 1.00 38.86 ? 123 ILE B CD1 1 ATOM 1023 N N . PHE A 1 125 ? 35.608 -9.901 -4.606 1.00 39.16 ? 124 PHE B N 1 ATOM 1024 C CA . PHE A 1 125 ? 34.599 -10.670 -5.333 1.00 40.62 ? 124 PHE B CA 1 ATOM 1025 C C . PHE A 1 125 ? 34.429 -10.178 -6.765 1.00 41.35 ? 124 PHE B C 1 ATOM 1026 O O . PHE A 1 125 ? 34.276 -8.983 -6.977 1.00 40.86 ? 124 PHE B O 1 ATOM 1027 C CB . PHE A 1 125 ? 33.244 -10.577 -4.622 1.00 41.07 ? 124 PHE B CB 1 ATOM 1028 C CG . PHE A 1 125 ? 32.199 -11.489 -5.211 1.00 41.84 ? 124 PHE B CG 1 ATOM 1029 C CD1 . PHE A 1 125 ? 32.231 -12.857 -4.946 1.00 42.24 ? 124 PHE B CD1 1 ATOM 1030 C CD2 . PHE A 1 125 ? 31.197 -10.994 -6.050 1.00 41.97 ? 124 PHE B CD2 1 ATOM 1031 C CE1 . PHE A 1 125 ? 31.281 -13.707 -5.498 1.00 42.42 ? 124 PHE B CE1 1 ATOM 1032 C CE2 . PHE A 1 125 ? 30.241 -11.839 -6.599 1.00 41.93 ? 124 PHE B CE2 1 ATOM 1033 C CZ . PHE A 1 125 ? 30.286 -13.195 -6.329 1.00 42.25 ? 124 PHE B CZ 1 ATOM 1034 N N . LYS A 1 126 ? 34.424 -11.105 -7.726 1.00 43.55 ? 125 LYS B N 1 ATOM 1035 C CA . LYS A 1 126 ? 34.085 -10.801 -9.133 1.00 45.78 ? 125 LYS B CA 1 ATOM 1036 C C . LYS A 1 126 ? 32.623 -11.124 -9.439 1.00 46.06 ? 125 LYS B C 1 ATOM 1037 O O . LYS A 1 126 ? 32.274 -12.287 -9.621 1.00 45.68 ? 125 LYS B O 1 ATOM 1038 C CB . LYS A 1 126 ? 34.964 -11.602 -10.093 1.00 47.06 ? 125 LYS B CB 1 ATOM 1039 C CG . LYS A 1 126 ? 36.450 -11.418 -9.872 1.00 49.11 ? 125 LYS B CG 1 ATOM 1040 C CD . LYS A 1 126 ? 37.258 -11.831 -11.103 1.00 51.22 ? 125 LYS B CD 1 ATOM 1041 C CE . LYS A 1 126 ? 38.645 -12.344 -10.724 1.00 52.47 ? 125 LYS B CE 1 ATOM 1042 N NZ . LYS A 1 126 ? 39.347 -11.483 -9.722 1.00 53.01 ? 125 LYS B NZ 1 ATOM 1043 N N . SER A 1 127 ? 31.775 -10.101 -9.484 1.00 46.76 ? 126 SER B N 1 ATOM 1044 C CA . SER A 1 127 ? 30.392 -10.263 -9.935 1.00 48.69 ? 126 SER B CA 1 ATOM 1045 C C . SER A 1 127 ? 30.347 -10.277 -11.456 1.00 50.94 ? 126 SER B C 1 ATOM 1046 O O . SER A 1 127 ? 31.090 -9.539 -12.095 1.00 51.66 ? 126 SER B O 1 ATOM 1047 C CB . SER A 1 127 ? 29.508 -9.109 -9.447 1.00 48.78 ? 126 SER B CB 1 ATOM 1048 O OG . SER A 1 127 ? 29.236 -9.194 -8.060 1.00 48.35 ? 126 SER B OG 1 ATOM 1049 N N . TYR A 1 128 ? 29.484 -11.115 -12.028 1.00 53.55 ? 127 TYR B N 1 ATOM 1050 C CA . TYR A 1 128 ? 29.099 -10.993 -13.433 1.00 55.80 ? 127 TYR B CA 1 ATOM 1051 C C . TYR A 1 128 ? 27.800 -10.188 -13.489 1.00 54.61 ? 127 TYR B C 1 ATOM 1052 O O . TYR A 1 128 ? 26.765 -10.649 -13.021 1.00 55.37 ? 127 TYR B O 1 ATOM 1053 C CB . TYR A 1 128 ? 28.909 -12.369 -14.066 1.00 59.54 ? 127 TYR B CB 1 ATOM 1054 C CG . TYR A 1 128 ? 28.291 -12.333 -15.457 1.00 64.05 ? 127 TYR B CG 1 ATOM 1055 C CD1 . TYR A 1 128 ? 29.055 -11.993 -16.580 1.00 66.02 ? 127 TYR B CD1 1 ATOM 1056 C CD2 . TYR A 1 128 ? 26.934 -12.649 -15.656 1.00 66.84 ? 127 TYR B CD2 1 ATOM 1057 C CE1 . TYR A 1 128 ? 28.491 -11.967 -17.855 1.00 68.08 ? 127 TYR B CE1 1 ATOM 1058 C CE2 . TYR A 1 128 ? 26.363 -12.626 -16.929 1.00 67.61 ? 127 TYR B CE2 1 ATOM 1059 C CZ . TYR A 1 128 ? 27.141 -12.286 -18.021 1.00 68.38 ? 127 TYR B CZ 1 ATOM 1060 O OH . TYR A 1 128 ? 26.571 -12.263 -19.273 1.00 70.75 ? 127 TYR B OH 1 ATOM 1061 N N . CYS A 1 129 ? 27.863 -8.988 -14.057 1.00 53.79 ? 128 CYS B N 1 ATOM 1062 C CA . CYS A 1 129 ? 26.723 -8.065 -14.085 1.00 53.19 ? 128 CYS B CA 1 ATOM 1063 C C . CYS A 1 129 ? 25.902 -8.241 -15.356 1.00 52.79 ? 128 CYS B C 1 ATOM 1064 O O . CYS A 1 129 ? 26.451 -8.568 -16.402 1.00 52.61 ? 128 CYS B O 1 ATOM 1065 C CB . CYS A 1 129 ? 27.215 -6.620 -13.972 1.00 52.65 ? 128 CYS B CB 1 ATOM 1066 S SG . CYS A 1 129 ? 28.416 -6.397 -12.639 1.00 52.78 ? 128 CYS B SG 1 ATOM 1067 N N . GLU A 1 130 ? 24.591 -8.040 -15.246 1.00 53.44 ? 129 GLU B N 1 ATOM 1068 C CA . GLU A 1 130 ? 23.676 -8.088 -16.389 1.00 55.28 ? 129 GLU B CA 1 ATOM 1069 C C . GLU A 1 130 ? 23.369 -6.656 -16.802 1.00 55.05 ? 129 GLU B C 1 ATOM 1070 O O . GLU A 1 130 ? 23.150 -5.806 -15.947 1.00 53.48 ? 129 GLU B O 1 ATOM 1071 C CB . GLU A 1 130 ? 22.357 -8.783 -16.019 1.00 57.12 ? 129 GLU B CB 1 ATOM 1072 C CG . GLU A 1 130 ? 22.475 -10.106 -15.261 1.00 59.02 ? 129 GLU B CG 1 ATOM 1073 C CD . GLU A 1 130 ? 23.010 -11.269 -16.097 1.00 61.63 ? 129 GLU B CD 1 ATOM 1074 O OE1 . GLU A 1 130 ? 22.932 -11.231 -17.353 1.00 64.79 ? 129 GLU B OE1 1 ATOM 1075 O OE2 . GLU A 1 130 ? 23.499 -12.249 -15.487 1.00 62.27 ? 129 GLU B OE2 1 ATOM 1076 N N . ILE A 1 131 ? 23.329 -6.392 -18.104 1.00 56.84 ? 130 ILE B N 1 ATOM 1077 C CA . ILE A 1 131 ? 22.961 -5.068 -18.604 1.00 58.50 ? 130 ILE B CA 1 ATOM 1078 C C . ILE A 1 131 ? 21.450 -4.899 -18.459 1.00 59.88 ? 130 ILE B C 1 ATOM 1079 O O . ILE A 1 131 ? 20.688 -5.779 -18.844 1.00 56.84 ? 130 ILE B O 1 ATOM 1080 C CB . ILE A 1 131 ? 23.338 -4.849 -20.090 1.00 58.90 ? 130 ILE B CB 1 ATOM 1081 C CG1 . ILE A 1 131 ? 24.842 -5.052 -20.345 1.00 58.85 ? 130 ILE B CG1 1 ATOM 1082 C CG2 . ILE A 1 131 ? 22.901 -3.453 -20.548 1.00 59.40 ? 130 ILE B CG2 1 ATOM 1083 C CD1 . ILE A 1 131 ? 25.725 -3.888 -19.941 1.00 59.02 ? 130 ILE B CD1 1 ATOM 1084 N N . ILE A 1 132 ? 21.033 -3.767 -17.898 1.00 64.87 ? 131 ILE B N 1 ATOM 1085 C CA . ILE A 1 132 ? 19.623 -3.404 -17.831 1.00 69.45 ? 131 ILE B CA 1 ATOM 1086 C C . ILE A 1 132 ? 19.294 -2.667 -19.126 1.00 75.68 ? 131 ILE B C 1 ATOM 1087 O O . ILE A 1 132 ? 19.972 -1.698 -19.486 1.00 76.76 ? 131 ILE B O 1 ATOM 1088 C CB . ILE A 1 132 ? 19.299 -2.561 -16.572 1.00 69.47 ? 131 ILE B CB 1 ATOM 1089 C CG1 . ILE A 1 132 ? 19.170 -3.486 -15.354 1.00 69.54 ? 131 ILE B CG1 1 ATOM 1090 C CG2 . ILE A 1 132 ? 18.004 -1.768 -16.737 1.00 69.91 ? 131 ILE B CG2 1 ATOM 1091 C CD1 . ILE A 1 132 ? 19.252 -2.777 -14.013 1.00 69.47 ? 131 ILE B CD1 1 ATOM 1092 N N . VAL A 1 133 ? 18.245 -3.142 -19.806 1.00 82.75 ? 132 VAL B N 1 ATOM 1093 C CA . VAL A 1 133 ? 17.809 -2.616 -21.109 1.00 87.58 ? 132 VAL B CA 1 ATOM 1094 C C . VAL A 1 133 ? 16.403 -1.990 -21.009 1.00 92.38 ? 132 VAL B C 1 ATOM 1095 O O . VAL A 1 133 ? 15.601 -2.103 -21.940 1.00 94.35 ? 132 VAL B O 1 ATOM 1096 C CB . VAL A 1 133 ? 17.869 -3.711 -22.225 1.00 87.14 ? 132 VAL B CB 1 ATOM 1097 C CG1 . VAL A 1 133 ? 19.311 -4.098 -22.518 1.00 87.10 ? 132 VAL B CG1 1 ATOM 1098 C CG2 . VAL A 1 133 ? 17.064 -4.956 -21.860 1.00 86.74 ? 132 VAL B CG2 1 ATOM 1099 N N . THR A 1 134 ? 16.120 -1.317 -19.887 1.00 96.79 ? 133 THR B N 1 ATOM 1100 C CA . THR A 1 134 ? 14.804 -0.702 -19.637 1.00 101.25 ? 133 THR B CA 1 ATOM 1101 C C . THR A 1 134 ? 14.727 0.648 -20.337 1.00 105.05 ? 133 THR B C 1 ATOM 1102 O O . THR A 1 134 ? 13.779 0.923 -21.071 1.00 109.60 ? 133 THR B O 1 ATOM 1103 C CB . THR A 1 134 ? 14.519 -0.515 -18.124 1.00 101.67 ? 133 THR B CB 1 ATOM 1104 O OG1 . THR A 1 134 ? 14.433 -1.796 -17.486 1.00 100.91 ? 133 THR B OG1 1 ATOM 1105 C CG2 . THR A 1 134 ? 13.201 0.241 -17.880 1.00 101.85 ? 133 THR B CG2 1 ATOM 1106 N N . HIS A 1 135 ? 15.720 1.491 -20.083 1.00 107.66 ? 134 HIS B N 1 ATOM 1107 C CA . HIS A 1 135 ? 15.799 2.810 -20.700 1.00 112.16 ? 134 HIS B CA 1 ATOM 1108 C C . HIS A 1 135 ? 17.244 3.275 -20.522 1.00 114.46 ? 134 HIS B C 1 ATOM 1109 O O . HIS A 1 135 ? 17.616 3.723 -19.429 1.00 114.69 ? 134 HIS B O 1 ATOM 1110 C CB . HIS A 1 135 ? 14.799 3.776 -20.015 1.00 114.31 ? 134 HIS B CB 1 ATOM 1111 C CG . HIS A 1 135 ? 14.062 4.680 -20.959 1.00 116.30 ? 134 HIS B CG 1 ATOM 1112 N ND1 . HIS A 1 135 ? 12.737 4.485 -21.290 1.00 116.76 ? 134 HIS B ND1 1 ATOM 1113 C CD2 . HIS A 1 135 ? 14.453 5.797 -21.619 1.00 117.69 ? 134 HIS B CD2 1 ATOM 1114 C CE1 . HIS A 1 135 ? 12.348 5.433 -22.124 1.00 116.68 ? 134 HIS B CE1 1 ATOM 1115 N NE2 . HIS A 1 135 ? 13.369 6.243 -22.339 1.00 117.40 ? 134 HIS B NE2 1 ATOM 1116 N N . PHE A 1 136 ? 18.070 3.132 -21.566 1.00 114.75 ? 135 PHE B N 1 ATOM 1117 C CA . PHE A 1 136 ? 19.502 3.480 -21.455 1.00 115.07 ? 135 PHE B CA 1 ATOM 1118 C C . PHE A 1 136 ? 20.006 4.562 -22.430 1.00 113.02 ? 135 PHE B C 1 ATOM 1119 O O . PHE A 1 136 ? 20.688 4.264 -23.416 1.00 114.50 ? 135 PHE B O 1 ATOM 1120 C CB . PHE A 1 136 ? 20.416 2.223 -21.424 1.00 115.79 ? 135 PHE B CB 1 ATOM 1121 C CG . PHE A 1 136 ? 20.297 1.314 -22.625 1.00 116.52 ? 135 PHE B CG 1 ATOM 1122 C CD1 . PHE A 1 136 ? 19.249 0.402 -22.727 1.00 116.61 ? 135 PHE B CD1 1 ATOM 1123 C CD2 . PHE A 1 136 ? 21.267 1.330 -23.631 1.00 115.31 ? 135 PHE B CD2 1 ATOM 1124 C CE1 . PHE A 1 136 ? 19.148 -0.449 -23.822 1.00 115.64 ? 135 PHE B CE1 1 ATOM 1125 C CE2 . PHE A 1 136 ? 21.169 0.484 -24.727 1.00 115.42 ? 135 PHE B CE2 1 ATOM 1126 C CZ . PHE A 1 136 ? 20.109 -0.408 -24.822 1.00 115.11 ? 135 PHE B CZ 1 ATOM 1127 N N . PRO A 1 137 ? 19.654 5.836 -22.145 1.00 109.28 ? 136 PRO B N 1 ATOM 1128 C CA . PRO A 1 137 ? 20.483 6.967 -22.585 1.00 106.41 ? 136 PRO B CA 1 ATOM 1129 C C . PRO A 1 137 ? 21.808 6.967 -21.808 1.00 101.05 ? 136 PRO B C 1 ATOM 1130 O O . PRO A 1 137 ? 22.881 7.021 -22.417 1.00 101.53 ? 136 PRO B O 1 ATOM 1131 C CB . PRO A 1 137 ? 19.624 8.203 -22.258 1.00 107.97 ? 136 PRO B CB 1 ATOM 1132 C CG . PRO A 1 137 ? 18.231 7.690 -22.089 1.00 108.47 ? 136 PRO B CG 1 ATOM 1133 C CD . PRO A 1 137 ? 18.361 6.282 -21.593 1.00 108.41 ? 136 PRO B CD 1 ATOM 1134 N N . PHE A 1 138 ? 21.708 6.900 -20.476 1.00 94.44 ? 137 PHE B N 1 ATOM 1135 C CA . PHE A 1 138 ? 22.832 6.557 -19.594 1.00 89.22 ? 137 PHE B CA 1 ATOM 1136 C C . PHE A 1 138 ? 22.735 5.061 -19.255 1.00 82.63 ? 137 PHE B C 1 ATOM 1137 O O . PHE A 1 138 ? 21.644 4.551 -18.979 1.00 80.13 ? 137 PHE B O 1 ATOM 1138 C CB . PHE A 1 138 ? 22.803 7.397 -18.311 1.00 89.10 ? 137 PHE B CB 1 ATOM 1139 N N . ASP A 1 139 ? 23.875 4.372 -19.269 1.00 75.99 ? 138 ASP B N 1 ATOM 1140 C CA . ASP A 1 139 ? 23.906 2.910 -19.133 1.00 70.48 ? 138 ASP B CA 1 ATOM 1141 C C . ASP A 1 139 ? 23.715 2.464 -17.684 1.00 64.55 ? 138 ASP B C 1 ATOM 1142 O O . ASP A 1 139 ? 24.069 3.188 -16.755 1.00 61.89 ? 138 ASP B O 1 ATOM 1143 C CB . ASP A 1 139 ? 25.232 2.360 -19.652 1.00 72.06 ? 138 ASP B CB 1 ATOM 1144 C CG . ASP A 1 139 ? 25.486 2.726 -21.091 1.00 73.37 ? 138 ASP B CG 1 ATOM 1145 O OD1 . ASP A 1 139 ? 24.654 2.337 -21.939 1.00 75.02 ? 138 ASP B OD1 1 ATOM 1146 O OD2 . ASP A 1 139 ? 26.507 3.404 -21.365 1.00 72.86 ? 138 ASP B OD2 1 ATOM 1147 N N . GLU A 1 140 ? 23.148 1.271 -17.513 1.00 59.28 ? 139 GLU B N 1 ATOM 1148 C CA . GLU A 1 140 ? 22.980 0.648 -16.201 1.00 56.28 ? 139 GLU B CA 1 ATOM 1149 C C . GLU A 1 140 ? 23.349 -0.825 -16.271 1.00 53.50 ? 139 GLU B C 1 ATOM 1150 O O . GLU A 1 140 ? 23.130 -1.474 -17.300 1.00 53.39 ? 139 GLU B O 1 ATOM 1151 C CB . GLU A 1 140 ? 21.540 0.769 -15.706 1.00 56.08 ? 139 GLU B CB 1 ATOM 1152 C CG . GLU A 1 140 ? 21.121 2.172 -15.305 1.00 56.75 ? 139 GLU B CG 1 ATOM 1153 C CD . GLU A 1 140 ? 19.762 2.230 -14.608 1.00 57.13 ? 139 GLU B CD 1 ATOM 1154 O OE1 . GLU A 1 140 ? 19.071 1.192 -14.457 1.00 55.88 ? 139 GLU B OE1 1 ATOM 1155 O OE2 . GLU A 1 140 ? 19.377 3.342 -14.195 1.00 59.06 ? 139 GLU B OE2 1 ATOM 1156 N N . GLN A 1 141 ? 23.922 -1.342 -15.185 1.00 50.01 ? 140 GLN B N 1 ATOM 1157 C CA . GLN A 1 141 ? 24.125 -2.778 -15.037 1.00 48.23 ? 140 GLN B CA 1 ATOM 1158 C C . GLN A 1 141 ? 23.876 -3.205 -13.602 1.00 46.10 ? 140 GLN B C 1 ATOM 1159 O O . GLN A 1 141 ? 23.977 -2.405 -12.699 1.00 44.72 ? 140 GLN B O 1 ATOM 1160 C CB . GLN A 1 141 ? 25.509 -3.213 -15.524 1.00 48.23 ? 140 GLN B CB 1 ATOM 1161 C CG . GLN A 1 141 ? 26.688 -2.485 -14.898 1.00 48.83 ? 140 GLN B CG 1 ATOM 1162 C CD . GLN A 1 141 ? 28.032 -2.916 -15.479 1.00 49.22 ? 140 GLN B CD 1 ATOM 1163 O OE1 . GLN A 1 141 ? 28.109 -3.472 -16.580 1.00 49.41 ? 140 GLN B OE1 1 ATOM 1164 N NE2 . GLN A 1 141 ? 29.105 -2.653 -14.737 1.00 49.60 ? 140 GLN B NE2 1 ATOM 1165 N N . ASN A 1 142 ? 23.532 -4.477 -13.433 1.00 45.11 ? 141 ASN B N 1 ATOM 1166 C CA . ASN A 1 142 ? 23.068 -5.034 -12.177 1.00 44.56 ? 141 ASN B CA 1 ATOM 1167 C C . ASN A 1 142 ? 23.966 -6.207 -11.829 1.00 44.84 ? 141 ASN B C 1 ATOM 1168 O O . ASN A 1 142 ? 23.976 -7.214 -12.544 1.00 44.53 ? 141 ASN B O 1 ATOM 1169 C CB . ASN A 1 142 ? 21.612 -5.490 -12.330 1.00 44.35 ? 141 ASN B CB 1 ATOM 1170 C CG . ASN A 1 142 ? 20.984 -5.958 -11.024 1.00 43.56 ? 141 ASN B CG 1 ATOM 1171 O OD1 . ASN A 1 142 ? 21.413 -5.589 -9.930 1.00 43.29 ? 141 ASN B OD1 1 ATOM 1172 N ND2 . ASN A 1 142 ? 19.945 -6.773 -11.149 1.00 43.26 ? 141 ASN B ND2 1 ATOM 1173 N N . CYS A 1 143 ? 24.711 -6.048 -10.731 1.00 45.55 ? 142 CYS B N 1 ATOM 1174 C CA . CYS A 1 143 ? 25.725 -6.991 -10.261 1.00 45.57 ? 142 CYS B CA 1 ATOM 1175 C C . CYS A 1 143 ? 25.211 -7.636 -8.990 1.00 44.81 ? 142 CYS B C 1 ATOM 1176 O O . CYS A 1 143 ? 24.586 -6.966 -8.175 1.00 44.06 ? 142 CYS B O 1 ATOM 1177 C CB . CYS A 1 143 ? 27.015 -6.239 -9.954 1.00 47.15 ? 142 CYS B CB 1 ATOM 1178 S SG . CYS A 1 143 ? 27.536 -5.132 -11.284 1.00 50.34 ? 142 CYS B SG 1 ATOM 1179 N N . SER A 1 144 ? 25.480 -8.926 -8.815 1.00 44.13 ? 143 SER B N 1 ATOM 1180 C CA . SER A 1 144 ? 24.919 -9.677 -7.706 1.00 44.02 ? 143 SER B CA 1 ATOM 1181 C C . SER A 1 144 ? 25.970 -10.546 -7.036 1.00 43.62 ? 143 SER B C 1 ATOM 1182 O O . SER A 1 144 ? 26.920 -10.954 -7.683 1.00 43.99 ? 143 SER B O 1 ATOM 1183 C CB . SER A 1 144 ? 23.774 -10.541 -8.206 1.00 44.29 ? 143 SER B CB 1 ATOM 1184 O OG . SER A 1 144 ? 24.286 -11.627 -8.942 1.00 45.46 ? 143 SER B OG 1 ATOM 1185 N N . MET A 1 145 ? 25.784 -10.815 -5.741 1.00 43.54 ? 144 MET B N 1 ATOM 1186 C CA . MET A 1 145 ? 26.655 -11.697 -4.970 1.00 43.87 ? 144 MET B CA 1 ATOM 1187 C C . MET A 1 145 ? 25.795 -12.558 -4.061 1.00 43.76 ? 144 MET B C 1 ATOM 1188 O O . MET A 1 145 ? 24.942 -12.031 -3.350 1.00 43.70 ? 144 MET B O 1 ATOM 1189 C CB . MET A 1 145 ? 27.623 -10.894 -4.091 1.00 45.38 ? 144 MET B CB 1 ATOM 1190 C CG . MET A 1 145 ? 28.153 -9.604 -4.685 1.00 46.53 ? 144 MET B CG 1 ATOM 1191 S SD . MET A 1 145 ? 29.346 -8.815 -3.595 1.00 48.06 ? 144 MET B SD 1 ATOM 1192 C CE . MET A 1 145 ? 29.318 -7.131 -4.189 1.00 48.00 ? 144 MET B CE 1 ATOM 1193 N N . LYS A 1 146 ? 26.036 -13.867 -4.057 1.00 43.97 ? 145 LYS B N 1 ATOM 1194 C CA . LYS A 1 146 ? 25.273 -14.806 -3.217 1.00 44.16 ? 145 LYS B CA 1 ATOM 1195 C C . LYS A 1 146 ? 26.064 -15.120 -1.953 1.00 42.72 ? 145 LYS B C 1 ATOM 1196 O O . LYS A 1 146 ? 27.245 -15.413 -2.046 1.00 42.54 ? 145 LYS B O 1 ATOM 1197 C CB . LYS A 1 146 ? 25.018 -16.136 -3.941 1.00 45.19 ? 145 LYS B CB 1 ATOM 1198 C CG . LYS A 1 146 ? 24.634 -16.053 -5.408 1.00 46.63 ? 145 LYS B CG 1 ATOM 1199 C CD . LYS A 1 146 ? 23.192 -15.659 -5.645 1.00 47.23 ? 145 LYS B CD 1 ATOM 1200 C CE . LYS A 1 146 ? 22.246 -16.825 -5.430 1.00 47.66 ? 145 LYS B CE 1 ATOM 1201 N NZ . LYS A 1 146 ? 20.862 -16.390 -5.756 1.00 48.78 ? 145 LYS B NZ 1 ATOM 1202 N N . LEU A 1 147 ? 25.409 -15.093 -0.795 1.00 41.56 ? 146 LEU B N 1 ATOM 1203 C CA . LEU A 1 147 ? 25.994 -15.568 0.461 1.00 41.00 ? 146 LEU B CA 1 ATOM 1204 C C . LEU A 1 147 ? 25.289 -16.811 0.971 1.00 40.51 ? 146 LEU B C 1 ATOM 1205 O O . LEU A 1 147 ? 24.066 -16.865 0.977 1.00 40.40 ? 146 LEU B O 1 ATOM 1206 C CB . LEU A 1 147 ? 25.884 -14.507 1.548 1.00 41.22 ? 146 LEU B CB 1 ATOM 1207 C CG . LEU A 1 147 ? 26.810 -13.303 1.460 1.00 41.71 ? 146 LEU B CG 1 ATOM 1208 C CD1 . LEU A 1 147 ? 26.681 -12.494 2.740 1.00 41.57 ? 146 LEU B CD1 1 ATOM 1209 C CD2 . LEU A 1 147 ? 28.252 -13.735 1.240 1.00 42.07 ? 146 LEU B CD2 1 ATOM 1210 N N . GLY A 1 148 ? 26.066 -17.782 1.443 1.00 39.44 ? 147 GLY B N 1 ATOM 1211 C CA . GLY A 1 148 ? 25.517 -18.998 2.018 1.00 39.12 ? 147 GLY B CA 1 ATOM 1212 C C . GLY A 1 148 ? 26.581 -19.808 2.722 1.00 38.99 ? 147 GLY B C 1 ATOM 1213 O O . GLY A 1 148 ? 27.782 -19.597 2.507 1.00 38.43 ? 147 GLY B O 1 ATOM 1214 N N . THR A 1 149 ? 26.148 -20.721 3.585 1.00 38.91 ? 148 THR B N 1 ATOM 1215 C CA . THR A 1 149 ? 27.080 -21.615 4.252 1.00 38.97 ? 148 THR B CA 1 ATOM 1216 C C . THR A 1 149 ? 27.450 -22.734 3.296 1.00 39.06 ? 148 THR B C 1 ATOM 1217 O O . THR A 1 149 ? 26.603 -23.219 2.549 1.00 38.12 ? 148 THR B O 1 ATOM 1218 C CB . THR A 1 149 ? 26.519 -22.188 5.567 1.00 39.11 ? 148 THR B CB 1 ATOM 1219 O OG1 . THR A 1 149 ? 25.324 -22.933 5.313 1.00 39.08 ? 148 THR B OG1 1 ATOM 1220 C CG2 . THR A 1 149 ? 26.230 -21.069 6.551 1.00 38.87 ? 148 THR B CG2 1 ATOM 1221 N N . ARG A 1 150 ? 28.721 -23.126 3.343 1.00 39.92 ? 149 ARG B N 1 ATOM 1222 C CA . ARG A 1 150 ? 29.283 -24.116 2.435 1.00 41.13 ? 149 ARG B CA 1 ATOM 1223 C C . ARG A 1 150 ? 28.771 -25.520 2.699 1.00 41.32 ? 149 ARG B C 1 ATOM 1224 O O . ARG A 1 150 ? 28.494 -26.252 1.754 1.00 41.55 ? 149 ARG B O 1 ATOM 1225 C CB . ARG A 1 150 ? 30.817 -24.120 2.512 1.00 42.43 ? 149 ARG B CB 1 ATOM 1226 C CG . ARG A 1 150 ? 31.502 -24.839 1.349 1.00 43.42 ? 149 ARG B CG 1 ATOM 1227 C CD . ARG A 1 150 ? 32.903 -25.295 1.712 1.00 44.59 ? 149 ARG B CD 1 ATOM 1228 N NE . ARG A 1 150 ? 33.781 -24.151 1.951 1.00 45.90 ? 149 ARG B NE 1 ATOM 1229 C CZ . ARG A 1 150 ? 34.453 -23.471 1.012 1.00 47.20 ? 149 ARG B CZ 1 ATOM 1230 N NH1 . ARG A 1 150 ? 34.379 -23.797 -0.289 1.00 47.06 ? 149 ARG B NH1 1 ATOM 1231 N NH2 . ARG A 1 150 ? 35.216 -22.437 1.384 1.00 47.75 ? 149 ARG B NH2 1 ATOM 1232 N N . THR A 1 151 ? 28.664 -25.891 3.976 1.00 41.83 ? 150 THR B N 1 ATOM 1233 C CA . THR A 1 151 ? 28.315 -27.261 4.385 1.00 41.84 ? 150 THR B CA 1 ATOM 1234 C C . THR A 1 151 ? 27.003 -27.353 5.142 1.00 41.10 ? 150 THR B C 1 ATOM 1235 O O . THR A 1 151 ? 26.168 -28.177 4.801 1.00 42.57 ? 150 THR B O 1 ATOM 1236 C CB . THR A 1 151 ? 29.423 -27.861 5.265 1.00 42.40 ? 150 THR B CB 1 ATOM 1237 O OG1 . THR A 1 151 ? 30.670 -27.775 4.562 1.00 42.92 ? 150 THR B OG1 1 ATOM 1238 C CG2 . THR A 1 151 ? 29.127 -29.328 5.615 1.00 42.86 ? 150 THR B CG2 1 ATOM 1239 N N . TYR A 1 152 ? 26.835 -26.528 6.173 1.00 39.58 ? 151 TYR B N 1 ATOM 1240 C CA . TYR A 1 152 ? 25.629 -26.550 7.008 1.00 38.56 ? 151 TYR B CA 1 ATOM 1241 C C . TYR A 1 152 ? 24.392 -26.194 6.197 1.00 38.73 ? 151 TYR B C 1 ATOM 1242 O O . TYR A 1 152 ? 24.488 -25.535 5.170 1.00 38.81 ? 151 TYR B O 1 ATOM 1243 C CB . TYR A 1 152 ? 25.777 -25.604 8.216 1.00 37.45 ? 151 TYR B CB 1 ATOM 1244 C CG . TYR A 1 152 ? 26.868 -26.039 9.177 1.00 36.88 ? 151 TYR B CG 1 ATOM 1245 C CD1 . TYR A 1 152 ? 26.809 -27.289 9.792 1.00 37.04 ? 151 TYR B CD1 1 ATOM 1246 C CD2 . TYR A 1 152 ? 27.969 -25.223 9.453 1.00 35.83 ? 151 TYR B CD2 1 ATOM 1247 C CE1 . TYR A 1 152 ? 27.801 -27.716 10.651 1.00 36.89 ? 151 TYR B CE1 1 ATOM 1248 C CE2 . TYR A 1 152 ? 28.971 -25.649 10.310 1.00 35.83 ? 151 TYR B CE2 1 ATOM 1249 C CZ . TYR A 1 152 ? 28.879 -26.901 10.911 1.00 36.37 ? 151 TYR B CZ 1 ATOM 1250 O OH . TYR A 1 152 ? 29.842 -27.366 11.789 1.00 36.39 ? 151 TYR B OH 1 ATOM 1251 N N . ASP A 1 153 ? 23.239 -26.673 6.648 1.00 39.19 ? 152 ASP B N 1 ATOM 1252 C CA . ASP A 1 153 ? 21.962 -26.368 6.009 1.00 39.75 ? 152 ASP B CA 1 ATOM 1253 C C . ASP A 1 153 ? 21.141 -25.518 6.963 1.00 39.33 ? 152 ASP B C 1 ATOM 1254 O O . ASP A 1 153 ? 21.558 -25.289 8.094 1.00 39.54 ? 152 ASP B O 1 ATOM 1255 C CB . ASP A 1 153 ? 21.221 -27.651 5.557 1.00 40.71 ? 152 ASP B CB 1 ATOM 1256 C CG . ASP A 1 153 ? 20.772 -28.554 6.718 1.00 41.49 ? 152 ASP B CG 1 ATOM 1257 O OD1 . ASP A 1 153 ? 20.307 -28.069 7.770 1.00 41.54 ? 152 ASP B OD1 1 ATOM 1258 O OD2 . ASP A 1 153 ? 20.866 -29.787 6.556 1.00 42.92 ? 152 ASP B OD2 1 ATOM 1259 N N . GLY A 1 154 ? 19.977 -25.066 6.507 1.00 39.12 ? 153 GLY B N 1 ATOM 1260 C CA . GLY A 1 154 ? 19.133 -24.154 7.272 1.00 39.11 ? 153 GLY B CA 1 ATOM 1261 C C . GLY A 1 154 ? 18.744 -24.595 8.675 1.00 39.48 ? 153 GLY B C 1 ATOM 1262 O O . GLY A 1 154 ? 18.500 -23.749 9.527 1.00 39.08 ? 153 GLY B O 1 ATOM 1263 N N . SER A 1 155 ? 18.669 -25.908 8.902 1.00 40.17 ? 154 SER B N 1 ATOM 1264 C CA . SER A 1 155 ? 18.317 -26.475 10.209 1.00 40.86 ? 154 SER B CA 1 ATOM 1265 C C . SER A 1 155 ? 19.494 -26.539 11.187 1.00 40.75 ? 154 SER B C 1 ATOM 1266 O O . SER A 1 155 ? 19.273 -26.588 12.399 1.00 41.62 ? 154 SER B O 1 ATOM 1267 C CB . SER A 1 155 ? 17.728 -27.875 10.046 1.00 41.43 ? 154 SER B CB 1 ATOM 1268 O OG . SER A 1 155 ? 18.744 -28.786 9.690 1.00 41.93 ? 154 SER B OG 1 ATOM 1269 N N . ALA A 1 156 ? 20.724 -26.559 10.666 1.00 39.97 ? 155 ALA B N 1 ATOM 1270 C CA . ALA A 1 156 ? 21.934 -26.449 11.497 1.00 39.14 ? 155 ALA B CA 1 ATOM 1271 C C . ALA A 1 156 ? 22.346 -24.990 11.734 1.00 38.06 ? 155 ALA B C 1 ATOM 1272 O O . ALA A 1 156 ? 22.705 -24.626 12.855 1.00 37.69 ? 155 ALA B O 1 ATOM 1273 C CB . ALA A 1 156 ? 23.079 -27.225 10.871 1.00 39.09 ? 155 ALA B CB 1 ATOM 1274 N N . VAL A 1 157 ? 22.311 -24.173 10.677 1.00 36.96 ? 156 VAL B N 1 ATOM 1275 C CA . VAL A 1 157 ? 22.647 -22.746 10.759 1.00 36.36 ? 156 VAL B CA 1 ATOM 1276 C C . VAL A 1 157 ? 21.579 -21.916 10.050 1.00 36.28 ? 156 VAL B C 1 ATOM 1277 O O . VAL A 1 157 ? 21.336 -22.112 8.865 1.00 36.92 ? 156 VAL B O 1 ATOM 1278 C CB . VAL A 1 157 ? 24.040 -22.443 10.131 1.00 35.80 ? 156 VAL B CB 1 ATOM 1279 C CG1 . VAL A 1 157 ? 24.273 -20.942 9.959 1.00 35.46 ? 156 VAL B CG1 1 ATOM 1280 C CG2 . VAL A 1 157 ? 25.156 -23.041 10.974 1.00 35.85 ? 156 VAL B CG2 1 ATOM 1281 N N . ALA A 1 158 ? 20.981 -20.970 10.768 1.00 36.31 ? 157 ALA B N 1 ATOM 1282 C CA . ALA A 1 158 ? 20.114 -19.957 10.171 1.00 37.00 ? 157 ALA B CA 1 ATOM 1283 C C . ALA A 1 158 ? 20.863 -18.621 9.961 1.00 37.41 ? 157 ALA B C 1 ATOM 1284 O O . ALA A 1 158 ? 21.447 -18.077 10.903 1.00 37.17 ? 157 ALA B O 1 ATOM 1285 C CB . ALA A 1 158 ? 18.902 -19.743 11.058 1.00 37.25 ? 157 ALA B CB 1 ATOM 1286 N N . ILE A 1 159 ? 20.843 -18.093 8.736 1.00 37.96 ? 158 ILE B N 1 ATOM 1287 C CA . ILE A 1 159 ? 21.465 -16.782 8.452 1.00 38.25 ? 158 ILE B CA 1 ATOM 1288 C C . ILE A 1 159 ? 20.383 -15.720 8.326 1.00 38.57 ? 158 ILE B C 1 ATOM 1289 O O . ILE A 1 159 ? 19.329 -15.987 7.755 1.00 39.11 ? 158 ILE B O 1 ATOM 1290 C CB . ILE A 1 159 ? 22.407 -16.793 7.219 1.00 37.88 ? 158 ILE B CB 1 ATOM 1291 C CG1 . ILE A 1 159 ? 21.669 -17.100 5.910 1.00 38.35 ? 158 ILE B CG1 1 ATOM 1292 C CG2 . ILE A 1 159 ? 23.517 -17.810 7.429 1.00 37.72 ? 158 ILE B CG2 1 ATOM 1293 C CD1 . ILE A 1 159 ? 22.522 -16.928 4.659 1.00 38.30 ? 158 ILE B CD1 1 ATOM 1294 N N . ASN A 1 160 ? 20.639 -14.533 8.881 1.00 38.88 ? 159 ASN B N 1 ATOM 1295 C CA . ASN A 1 160 ? 19.671 -13.442 8.860 1.00 39.38 ? 159 ASN B CA 1 ATOM 1296 C C . ASN A 1 160 ? 20.317 -12.125 8.483 1.00 39.36 ? 159 ASN B C 1 ATOM 1297 O O . ASN A 1 160 ? 21.356 -11.780 9.033 1.00 38.46 ? 159 ASN B O 1 ATOM 1298 C CB . ASN A 1 160 ? 19.001 -13.311 10.220 1.00 40.20 ? 159 ASN B CB 1 ATOM 1299 C CG . ASN A 1 160 ? 18.060 -14.459 10.504 1.00 40.91 ? 159 ASN B CG 1 ATOM 1300 O OD1 . ASN A 1 160 ? 17.116 -14.713 9.736 1.00 41.27 ? 159 ASN B OD1 1 ATOM 1301 N ND2 . ASN A 1 160 ? 18.318 -15.175 11.592 1.00 40.74 ? 159 ASN B ND2 1 ATOM 1302 N N . PRO A 1 161 ? 19.695 -11.374 7.546 1.00 40.19 ? 160 PRO B N 1 ATOM 1303 C CA . PRO A 1 161 ? 20.296 -10.111 7.184 1.00 40.50 ? 160 PRO B CA 1 ATOM 1304 C C . PRO A 1 161 ? 20.209 -9.173 8.351 1.00 41.62 ? 160 PRO B C 1 ATOM 1305 O O . PRO A 1 161 ? 19.180 -9.136 9.002 1.00 41.88 ? 160 PRO B O 1 ATOM 1306 C CB . PRO A 1 161 ? 19.411 -9.601 6.041 1.00 40.08 ? 160 PRO B CB 1 ATOM 1307 C CG . PRO A 1 161 ? 18.593 -10.747 5.615 1.00 39.80 ? 160 PRO B CG 1 ATOM 1308 C CD . PRO A 1 161 ? 18.430 -11.589 6.821 1.00 39.98 ? 160 PRO B CD 1 ATOM 1309 N N . GLU A 1 162 ? 21.276 -8.434 8.618 1.00 43.62 ? 161 GLU B N 1 ATOM 1310 C CA . GLU A 1 162 ? 21.209 -7.369 9.600 1.00 45.56 ? 161 GLU B CA 1 ATOM 1311 C C . GLU A 1 162 ? 20.422 -6.173 9.073 1.00 45.62 ? 161 GLU B C 1 ATOM 1312 O O . GLU A 1 162 ? 19.823 -5.447 9.859 1.00 46.48 ? 161 GLU B O 1 ATOM 1313 C CB . GLU A 1 162 ? 22.594 -6.979 10.102 1.00 47.26 ? 161 GLU B CB 1 ATOM 1314 C CG . GLU A 1 162 ? 23.468 -6.176 9.159 1.00 49.18 ? 161 GLU B CG 1 ATOM 1315 C CD . GLU A 1 162 ? 24.725 -5.691 9.862 1.00 51.24 ? 161 GLU B CD 1 ATOM 1316 O OE1 . GLU A 1 162 ? 25.829 -5.924 9.327 1.00 54.06 ? 161 GLU B OE1 1 ATOM 1317 O OE2 . GLU A 1 162 ? 24.613 -5.090 10.957 1.00 51.50 ? 161 GLU B OE2 1 ATOM 1318 N N . SER A 1 163 ? 20.416 -5.968 7.759 1.00 45.84 ? 162 SER B N 1 ATOM 1319 C CA . SER A 1 163 ? 19.509 -4.989 7.145 1.00 46.53 ? 162 SER B CA 1 ATOM 1320 C C . SER A 1 163 ? 19.151 -5.311 5.686 1.00 46.16 ? 162 SER B C 1 ATOM 1321 O O . SER A 1 163 ? 19.715 -6.213 5.081 1.00 45.53 ? 162 SER B O 1 ATOM 1322 C CB . SER A 1 163 ? 20.089 -3.575 7.271 1.00 46.67 ? 162 SER B CB 1 ATOM 1323 O OG . SER A 1 163 ? 21.154 -3.363 6.375 1.00 46.60 ? 162 SER B OG 1 ATOM 1324 N N . ASP A 1 164 ? 18.196 -4.554 5.155 1.00 47.47 ? 163 ASP B N 1 ATOM 1325 C CA . ASP A 1 164 ? 17.658 -4.738 3.801 1.00 48.31 ? 163 ASP B CA 1 ATOM 1326 C C . ASP A 1 164 ? 18.668 -4.422 2.709 1.00 46.97 ? 163 ASP B C 1 ATOM 1327 O O . ASP A 1 164 ? 18.556 -4.945 1.607 1.00 46.15 ? 163 ASP B O 1 ATOM 1328 C CB . ASP A 1 164 ? 16.458 -3.803 3.547 1.00 51.16 ? 163 ASP B CB 1 ATOM 1329 C CG . ASP A 1 164 ? 15.351 -3.946 4.575 1.00 54.13 ? 163 ASP B CG 1 ATOM 1330 O OD1 . ASP A 1 164 ? 15.160 -5.067 5.109 1.00 56.68 ? 163 ASP B OD1 1 ATOM 1331 O OD2 . ASP A 1 164 ? 14.671 -2.921 4.847 1.00 56.01 ? 163 ASP B OD2 1 ATOM 1332 N N . GLN A 1 165 ? 19.604 -3.519 2.991 1.00 46.08 ? 164 GLN B N 1 ATOM 1333 C CA . GLN A 1 165 ? 20.571 -3.066 2.005 1.00 45.07 ? 164 GLN B CA 1 ATOM 1334 C C . GLN A 1 165 ? 21.964 -3.487 2.420 1.00 43.10 ? 164 GLN B C 1 ATOM 1335 O O . GLN A 1 165 ? 22.188 -3.785 3.590 1.00 42.08 ? 164 GLN B O 1 ATOM 1336 C CB . GLN A 1 165 ? 20.539 -1.548 1.903 1.00 46.74 ? 164 GLN B CB 1 ATOM 1337 C CG . GLN A 1 165 ? 19.267 -0.982 1.301 1.00 48.39 ? 164 GLN B CG 1 ATOM 1338 C CD . GLN A 1 165 ? 19.341 0.524 1.113 1.00 50.04 ? 164 GLN B CD 1 ATOM 1339 O OE1 . GLN A 1 165 ? 19.888 1.244 1.956 1.00 51.82 ? 164 GLN B OE1 1 ATOM 1340 N NE2 . GLN A 1 165 ? 18.789 1.011 0.005 1.00 50.82 ? 164 GLN B NE2 1 ATOM 1341 N N . PRO A 1 166 ? 22.912 -3.514 1.462 1.00 41.79 ? 165 PRO B N 1 ATOM 1342 C CA . PRO A 1 166 ? 24.308 -3.594 1.880 1.00 40.96 ? 165 PRO B CA 1 ATOM 1343 C C . PRO A 1 166 ? 24.715 -2.350 2.650 1.00 39.96 ? 165 PRO B C 1 ATOM 1344 O O . PRO A 1 166 ? 24.145 -1.277 2.437 1.00 40.18 ? 165 PRO B O 1 ATOM 1345 C CB . PRO A 1 166 ? 25.078 -3.672 0.547 1.00 41.13 ? 165 PRO B CB 1 ATOM 1346 C CG . PRO A 1 166 ? 24.129 -3.201 -0.497 1.00 41.07 ? 165 PRO B CG 1 ATOM 1347 C CD . PRO A 1 166 ? 22.778 -3.600 -0.006 1.00 41.30 ? 165 PRO B CD 1 ATOM 1348 N N . ASP A 1 167 ? 25.694 -2.505 3.530 1.00 39.01 ? 166 ASP B N 1 ATOM 1349 C CA . ASP A 1 167 ? 26.256 -1.386 4.270 1.00 38.97 ? 166 ASP B CA 1 ATOM 1350 C C . ASP A 1 167 ? 27.195 -0.617 3.340 1.00 38.72 ? 166 ASP B C 1 ATOM 1351 O O . ASP A 1 167 ? 28.221 -1.146 2.923 1.00 37.56 ? 166 ASP B O 1 ATOM 1352 C CB . ASP A 1 167 ? 26.996 -1.901 5.509 1.00 38.86 ? 166 ASP B CB 1 ATOM 1353 C CG . ASP A 1 167 ? 27.646 -0.789 6.340 1.00 39.43 ? 166 ASP B CG 1 ATOM 1354 O OD1 . ASP A 1 167 ? 27.382 0.418 6.133 1.00 39.50 ? 166 ASP B OD1 1 ATOM 1355 O OD2 . ASP A 1 167 ? 28.440 -1.143 7.229 1.00 39.70 ? 166 ASP B OD2 1 ATOM 1356 N N . LEU A 1 168 ? 26.821 0.625 3.022 1.00 39.78 ? 167 LEU B N 1 ATOM 1357 C CA . LEU A 1 168 ? 27.656 1.558 2.232 1.00 40.37 ? 167 LEU B CA 1 ATOM 1358 C C . LEU A 1 168 ? 28.328 2.680 3.041 1.00 40.62 ? 167 LEU B C 1 ATOM 1359 O O . LEU A 1 168 ? 28.908 3.587 2.460 1.00 40.36 ? 167 LEU B O 1 ATOM 1360 C CB . LEU A 1 168 ? 26.810 2.183 1.120 1.00 40.95 ? 167 LEU B CB 1 ATOM 1361 C CG . LEU A 1 168 ? 26.113 1.200 0.177 1.00 41.16 ? 167 LEU B CG 1 ATOM 1362 C CD1 . LEU A 1 168 ? 25.437 1.958 -0.959 1.00 41.74 ? 167 LEU B CD1 1 ATOM 1363 C CD2 . LEU A 1 168 ? 27.089 0.171 -0.377 1.00 40.77 ? 167 LEU B CD2 1 ATOM 1364 N N . SER A 1 169 ? 28.286 2.600 4.370 1.00 41.64 ? 168 SER B N 1 ATOM 1365 C CA . SER A 1 169 ? 28.886 3.618 5.249 1.00 42.27 ? 168 SER B CA 1 ATOM 1366 C C . SER A 1 169 ? 30.404 3.816 5.078 1.00 42.45 ? 168 SER B C 1 ATOM 1367 O O . SER A 1 169 ? 30.920 4.887 5.411 1.00 43.23 ? 168 SER B O 1 ATOM 1368 C CB . SER A 1 169 ? 28.584 3.291 6.715 1.00 42.38 ? 168 SER B CB 1 ATOM 1369 O OG . SER A 1 169 ? 29.204 2.076 7.098 1.00 42.57 ? 168 SER B OG 1 ATOM 1370 N N . ASN A 1 170 ? 31.107 2.791 4.583 1.00 42.19 ? 169 ASN B N 1 ATOM 1371 C CA . ASN A 1 170 ? 32.556 2.876 4.297 1.00 42.10 ? 169 ASN B CA 1 ATOM 1372 C C . ASN A 1 170 ? 32.895 2.773 2.802 1.00 40.78 ? 169 ASN B C 1 ATOM 1373 O O . ASN A 1 170 ? 34.053 2.557 2.439 1.00 40.45 ? 169 ASN B O 1 ATOM 1374 C CB . ASN A 1 170 ? 33.296 1.780 5.065 1.00 42.70 ? 169 ASN B CB 1 ATOM 1375 C CG . ASN A 1 170 ? 33.026 1.833 6.549 1.00 44.02 ? 169 ASN B CG 1 ATOM 1376 O OD1 . ASN A 1 170 ? 33.000 2.912 7.148 1.00 45.91 ? 169 ASN B OD1 1 ATOM 1377 N ND2 . ASN A 1 170 ? 32.807 0.666 7.157 1.00 44.47 ? 169 ASN B ND2 1 ATOM 1378 N N . PHE A 1 171 ? 31.893 2.964 1.948 1.00 39.66 ? 170 PHE B N 1 ATOM 1379 C CA . PHE A 1 171 ? 32.042 2.810 0.502 1.00 38.99 ? 170 PHE B CA 1 ATOM 1380 C C . PHE A 1 171 ? 32.693 4.051 -0.071 1.00 39.87 ? 170 PHE B C 1 ATOM 1381 O O . PHE A 1 171 ? 32.151 5.145 0.055 1.00 40.05 ? 170 PHE B O 1 ATOM 1382 C CB . PHE A 1 171 ? 30.672 2.611 -0.151 1.00 37.70 ? 170 PHE B CB 1 ATOM 1383 C CG . PHE A 1 171 ? 30.712 2.543 -1.639 1.00 36.72 ? 170 PHE B CG 1 ATOM 1384 C CD1 . PHE A 1 171 ? 31.276 1.450 -2.277 1.00 36.01 ? 170 PHE B CD1 1 ATOM 1385 C CD2 . PHE A 1 171 ? 30.185 3.575 -2.415 1.00 36.84 ? 170 PHE B CD2 1 ATOM 1386 C CE1 . PHE A 1 171 ? 31.309 1.380 -3.661 1.00 35.89 ? 170 PHE B CE1 1 ATOM 1387 C CE2 . PHE A 1 171 ? 30.208 3.506 -3.802 1.00 36.45 ? 170 PHE B CE2 1 ATOM 1388 C CZ . PHE A 1 171 ? 30.773 2.407 -4.425 1.00 36.12 ? 170 PHE B CZ 1 ATOM 1389 N N . MET A 1 172 ? 33.860 3.892 -0.677 1.00 41.38 ? 171 MET B N 1 ATOM 1390 C CA . MET A 1 172 ? 34.466 4.993 -1.418 1.00 43.60 ? 171 MET B CA 1 ATOM 1391 C C . MET A 1 172 ? 33.901 4.958 -2.837 1.00 43.74 ? 171 MET B C 1 ATOM 1392 O O . MET A 1 172 ? 33.949 3.930 -3.518 1.00 43.26 ? 171 MET B O 1 ATOM 1393 C CB . MET A 1 172 ? 35.991 4.908 -1.425 1.00 44.57 ? 171 MET B CB 1 ATOM 1394 C CG . MET A 1 172 ? 36.675 6.017 -2.219 1.00 46.66 ? 171 MET B CG 1 ATOM 1395 S SD . MET A 1 172 ? 36.225 7.725 -1.780 1.00 50.01 ? 171 MET B SD 1 ATOM 1396 C CE . MET A 1 172 ? 37.405 8.060 -0.473 1.00 50.35 ? 171 MET B CE 1 ATOM 1397 N N . GLU A 1 173 ? 33.400 6.097 -3.284 1.00 44.45 ? 172 GLU B N 1 ATOM 1398 C CA . GLU A 1 173 ? 32.657 6.156 -4.538 1.00 45.30 ? 172 GLU B CA 1 ATOM 1399 C C . GLU A 1 173 ? 33.611 6.324 -5.725 1.00 44.83 ? 172 GLU B C 1 ATOM 1400 O O . GLU A 1 173 ? 34.790 6.651 -5.567 1.00 43.94 ? 172 GLU B O 1 ATOM 1401 C CB . GLU A 1 173 ? 31.539 7.219 -4.526 1.00 46.85 ? 172 GLU B CB 1 ATOM 1402 C CG . GLU A 1 173 ? 31.865 8.562 -3.882 1.00 48.92 ? 172 GLU B CG 1 ATOM 1403 C CD . GLU A 1 173 ? 31.844 8.540 -2.354 1.00 50.40 ? 172 GLU B CD 1 ATOM 1404 O OE1 . GLU A 1 173 ? 30.969 7.870 -1.738 1.00 51.10 ? 172 GLU B OE1 1 ATOM 1405 O OE2 . GLU A 1 173 ? 32.734 9.198 -1.771 1.00 52.32 ? 172 GLU B OE2 1 ATOM 1406 N N . SER A 1 174 ? 33.076 6.050 -6.908 1.00 44.55 ? 173 SER B N 1 ATOM 1407 C CA . SER A 1 174 ? 33.807 6.155 -8.152 1.00 44.43 ? 173 SER B CA 1 ATOM 1408 C C . SER A 1 174 ? 33.649 7.550 -8.752 1.00 45.76 ? 173 SER B C 1 ATOM 1409 O O . SER A 1 174 ? 32.748 8.309 -8.384 1.00 46.12 ? 173 SER B O 1 ATOM 1410 C CB . SER A 1 174 ? 33.300 5.099 -9.129 1.00 43.59 ? 173 SER B CB 1 ATOM 1411 O OG . SER A 1 174 ? 33.870 5.275 -10.410 1.00 43.51 ? 173 SER B OG 1 ATOM 1412 N N . GLY A 1 175 ? 34.552 7.876 -9.672 1.00 46.84 ? 174 GLY B N 1 ATOM 1413 C CA . GLY A 1 175 ? 34.443 9.067 -10.511 1.00 47.67 ? 174 GLY B CA 1 ATOM 1414 C C . GLY A 1 175 ? 33.588 8.866 -11.758 1.00 48.37 ? 174 GLY B C 1 ATOM 1415 O O . GLY A 1 175 ? 33.158 9.854 -12.352 1.00 49.46 ? 174 GLY B O 1 ATOM 1416 N N . GLU A 1 176 ? 33.349 7.608 -12.160 1.00 48.31 ? 175 GLU B N 1 ATOM 1417 C CA . GLU A 1 176 ? 32.542 7.274 -13.353 1.00 48.89 ? 175 GLU B CA 1 ATOM 1418 C C . GLU A 1 176 ? 31.158 6.687 -13.061 1.00 48.07 ? 175 GLU B C 1 ATOM 1419 O O . GLU A 1 176 ? 30.190 6.976 -13.781 1.00 46.86 ? 175 GLU B O 1 ATOM 1420 C CB . GLU A 1 176 ? 33.321 6.301 -14.258 1.00 50.02 ? 175 GLU B CB 1 ATOM 1421 C CG . GLU A 1 176 ? 32.569 5.778 -15.501 1.00 51.03 ? 175 GLU B CG 1 ATOM 1422 C CD . GLU A 1 176 ? 32.332 6.841 -16.588 1.00 52.50 ? 175 GLU B CD 1 ATOM 1423 O OE1 . GLU A 1 176 ? 32.633 8.033 -16.359 1.00 52.26 ? 175 GLU B OE1 1 ATOM 1424 O OE2 . GLU A 1 176 ? 31.849 6.479 -17.695 1.00 53.42 ? 175 GLU B OE2 1 ATOM 1425 N N . TRP A 1 177 ? 31.077 5.821 -12.057 1.00 47.59 ? 176 TRP B N 1 ATOM 1426 C CA . TRP A 1 177 ? 29.839 5.118 -11.745 1.00 47.35 ? 176 TRP B CA 1 ATOM 1427 C C . TRP A 1 177 ? 29.237 5.548 -10.415 1.00 46.15 ? 176 TRP B C 1 ATOM 1428 O O . TRP A 1 177 ? 29.901 6.165 -9.590 1.00 46.71 ? 176 TRP B O 1 ATOM 1429 C CB . TRP A 1 177 ? 30.089 3.611 -11.759 1.00 48.25 ? 176 TRP B CB 1 ATOM 1430 C CG . TRP A 1 177 ? 30.315 3.068 -13.137 1.00 48.64 ? 176 TRP B CG 1 ATOM 1431 C CD1 . TRP A 1 177 ? 29.360 2.664 -14.027 1.00 48.83 ? 176 TRP B CD1 1 ATOM 1432 C CD2 . TRP A 1 177 ? 31.574 2.863 -13.777 1.00 49.39 ? 176 TRP B CD2 1 ATOM 1433 N NE1 . TRP A 1 177 ? 29.950 2.221 -15.187 1.00 48.98 ? 176 TRP B NE1 1 ATOM 1434 C CE2 . TRP A 1 177 ? 31.308 2.335 -15.063 1.00 49.23 ? 176 TRP B CE2 1 ATOM 1435 C CE3 . TRP A 1 177 ? 32.906 3.071 -13.390 1.00 49.88 ? 176 TRP B CE3 1 ATOM 1436 C CZ2 . TRP A 1 177 ? 32.322 2.022 -15.972 1.00 49.83 ? 176 TRP B CZ2 1 ATOM 1437 C CZ3 . TRP A 1 177 ? 33.925 2.762 -14.302 1.00 50.29 ? 176 TRP B CZ3 1 ATOM 1438 C CH2 . TRP A 1 177 ? 33.622 2.241 -15.580 1.00 50.08 ? 176 TRP B CH2 1 ATOM 1439 N N . VAL A 1 178 ? 27.961 5.233 -10.243 1.00 45.21 ? 177 VAL B N 1 ATOM 1440 C CA . VAL A 1 178 ? 27.222 5.518 -9.019 1.00 45.19 ? 177 VAL B CA 1 ATOM 1441 C C . VAL A 1 178 ? 26.282 4.354 -8.751 1.00 44.75 ? 177 VAL B C 1 ATOM 1442 O O . VAL A 1 178 ? 25.700 3.805 -9.682 1.00 43.48 ? 177 VAL B O 1 ATOM 1443 C CB . VAL A 1 178 ? 26.438 6.851 -9.114 1.00 45.65 ? 177 VAL B CB 1 ATOM 1444 C CG1 . VAL A 1 178 ? 25.291 6.772 -10.111 1.00 46.05 ? 177 VAL B CG1 1 ATOM 1445 C CG2 . VAL A 1 178 ? 25.910 7.277 -7.755 1.00 45.85 ? 177 VAL B CG2 1 ATOM 1446 N N . ILE A 1 179 ? 26.149 3.979 -7.481 1.00 45.67 ? 178 ILE B N 1 ATOM 1447 C CA . ILE A 1 179 ? 25.273 2.872 -7.091 1.00 46.68 ? 178 ILE B CA 1 ATOM 1448 C C . ILE A 1 179 ? 23.886 3.466 -6.961 1.00 47.86 ? 178 ILE B C 1 ATOM 1449 O O . ILE A 1 179 ? 23.598 4.155 -5.991 1.00 48.00 ? 178 ILE B O 1 ATOM 1450 C CB . ILE A 1 179 ? 25.715 2.171 -5.779 1.00 46.12 ? 178 ILE B CB 1 ATOM 1451 C CG1 . ILE A 1 179 ? 26.917 1.254 -6.037 1.00 45.81 ? 178 ILE B CG1 1 ATOM 1452 C CG2 . ILE A 1 179 ? 24.604 1.291 -5.213 1.00 45.89 ? 178 ILE B CG2 1 ATOM 1453 C CD1 . ILE A 1 179 ? 28.124 1.942 -6.626 1.00 46.13 ? 178 ILE B CD1 1 ATOM 1454 N N . LYS A 1 180 ? 23.041 3.196 -7.952 1.00 49.43 ? 179 LYS B N 1 ATOM 1455 C CA . LYS A 1 180 ? 21.695 3.762 -7.998 1.00 51.30 ? 179 LYS B CA 1 ATOM 1456 C C . LYS A 1 180 ? 20.761 3.123 -6.966 1.00 51.19 ? 179 LYS B C 1 ATOM 1457 O O . LYS A 1 180 ? 19.829 3.765 -6.478 1.00 51.56 ? 179 LYS B O 1 ATOM 1458 C CB . LYS A 1 180 ? 21.094 3.600 -9.400 1.00 52.26 ? 179 LYS B CB 1 ATOM 1459 C CG . LYS A 1 180 ? 19.968 4.577 -9.689 1.00 54.13 ? 179 LYS B CG 1 ATOM 1460 C CD . LYS A 1 180 ? 19.355 4.360 -11.067 1.00 55.46 ? 179 LYS B CD 1 ATOM 1461 C CE . LYS A 1 180 ? 18.533 3.079 -11.134 1.00 56.03 ? 179 LYS B CE 1 ATOM 1462 N NZ . LYS A 1 180 ? 17.439 3.185 -12.139 1.00 56.92 ? 179 LYS B NZ 1 ATOM 1463 N N . GLU A 1 181 ? 21.026 1.864 -6.637 1.00 50.91 ? 180 GLU B N 1 ATOM 1464 C CA . GLU A 1 181 ? 20.053 1.012 -5.977 1.00 50.90 ? 180 GLU B CA 1 ATOM 1465 C C . GLU A 1 181 ? 20.781 -0.235 -5.504 1.00 48.49 ? 180 GLU B C 1 ATOM 1466 O O . GLU A 1 181 ? 21.666 -0.725 -6.200 1.00 47.87 ? 180 GLU B O 1 ATOM 1467 C CB . GLU A 1 181 ? 18.975 0.637 -6.997 1.00 53.00 ? 180 GLU B CB 1 ATOM 1468 C CG . GLU A 1 181 ? 17.819 -0.209 -6.491 1.00 55.18 ? 180 GLU B CG 1 ATOM 1469 C CD . GLU A 1 181 ? 16.791 -0.501 -7.586 1.00 58.29 ? 180 GLU B CD 1 ATOM 1470 O OE1 . GLU A 1 181 ? 15.599 -0.701 -7.239 1.00 60.10 ? 180 GLU B OE1 1 ATOM 1471 O OE2 . GLU A 1 181 ? 17.165 -0.527 -8.793 1.00 59.36 ? 180 GLU B OE2 1 ATOM 1472 N N . SER A 1 182 ? 20.429 -0.733 -4.325 1.00 46.41 ? 181 SER B N 1 ATOM 1473 C CA . SER A 1 182 ? 20.955 -2.007 -3.845 1.00 45.47 ? 181 SER B CA 1 ATOM 1474 C C . SER A 1 182 ? 20.022 -2.615 -2.829 1.00 45.12 ? 181 SER B C 1 ATOM 1475 O O . SER A 1 182 ? 19.332 -1.905 -2.122 1.00 44.61 ? 181 SER B O 1 ATOM 1476 C CB . SER A 1 182 ? 22.356 -1.847 -3.244 1.00 45.15 ? 181 SER B CB 1 ATOM 1477 O OG . SER A 1 182 ? 22.390 -0.871 -2.227 1.00 45.09 ? 181 SER B OG 1 ATOM 1478 N N . ARG A 1 183 ? 19.995 -3.939 -2.779 1.00 45.62 ? 182 ARG B N 1 ATOM 1479 C CA . ARG A 1 183 ? 19.191 -4.649 -1.798 1.00 46.37 ? 182 ARG B CA 1 ATOM 1480 C C . ARG A 1 183 ? 19.740 -6.028 -1.509 1.00 45.07 ? 182 ARG B C 1 ATOM 1481 O O . ARG A 1 183 ? 20.466 -6.610 -2.312 1.00 44.47 ? 182 ARG B O 1 ATOM 1482 C CB . ARG A 1 183 ? 17.707 -4.742 -2.222 1.00 47.96 ? 182 ARG B CB 1 ATOM 1483 C CG . ARG A 1 183 ? 16.825 -3.647 -1.612 1.00 50.55 ? 182 ARG B CG 1 ATOM 1484 C CD . ARG A 1 183 ? 15.496 -4.132 -1.033 1.00 52.59 ? 182 ARG B CD 1 ATOM 1485 N NE . ARG A 1 183 ? 15.646 -5.185 -0.020 1.00 54.19 ? 182 ARG B NE 1 ATOM 1486 C CZ . ARG A 1 183 ? 14.688 -5.596 0.819 1.00 56.09 ? 182 ARG B CZ 1 ATOM 1487 N NH1 . ARG A 1 183 ? 13.474 -5.038 0.824 1.00 57.15 ? 182 ARG B NH1 1 ATOM 1488 N NH2 . ARG A 1 183 ? 14.955 -6.572 1.686 1.00 56.47 ? 182 ARG B NH2 1 ATOM 1489 N N . GLY A 1 184 ? 19.374 -6.519 -0.333 1.00 44.29 ? 183 GLY B N 1 ATOM 1490 C CA . GLY A 1 184 ? 19.662 -7.862 0.106 1.00 44.49 ? 183 GLY B CA 1 ATOM 1491 C C . GLY A 1 184 ? 18.348 -8.559 0.369 1.00 44.24 ? 183 GLY B C 1 ATOM 1492 O O . GLY A 1 184 ? 17.506 -8.029 1.088 1.00 44.96 ? 183 GLY B O 1 ATOM 1493 N N . TRP A 1 185 ? 18.174 -9.731 -0.235 1.00 44.44 ? 184 TRP B N 1 ATOM 1494 C CA . TRP A 1 185 ? 16.991 -10.561 -0.057 1.00 44.45 ? 184 TRP B CA 1 ATOM 1495 C C . TRP A 1 185 ? 17.443 -11.941 0.393 1.00 44.16 ? 184 TRP B C 1 ATOM 1496 O O . TRP A 1 185 ? 18.408 -12.480 -0.151 1.00 44.22 ? 184 TRP B O 1 ATOM 1497 C CB . TRP A 1 185 ? 16.246 -10.710 -1.378 1.00 45.07 ? 184 TRP B CB 1 ATOM 1498 C CG . TRP A 1 185 ? 15.722 -9.453 -1.959 1.00 45.76 ? 184 TRP B CG 1 ATOM 1499 C CD1 . TRP A 1 185 ? 16.247 -8.759 -3.003 1.00 46.33 ? 184 TRP B CD1 1 ATOM 1500 C CD2 . TRP A 1 185 ? 14.540 -8.759 -1.567 1.00 47.39 ? 184 TRP B CD2 1 ATOM 1501 N NE1 . TRP A 1 185 ? 15.474 -7.661 -3.289 1.00 47.34 ? 184 TRP B NE1 1 ATOM 1502 C CE2 . TRP A 1 185 ? 14.415 -7.632 -2.420 1.00 47.89 ? 184 TRP B CE2 1 ATOM 1503 C CE3 . TRP A 1 185 ? 13.566 -8.973 -0.575 1.00 48.42 ? 184 TRP B CE3 1 ATOM 1504 C CZ2 . TRP A 1 185 ? 13.357 -6.713 -2.310 1.00 48.34 ? 184 TRP B CZ2 1 ATOM 1505 C CZ3 . TRP A 1 185 ? 12.504 -8.062 -0.465 1.00 49.26 ? 184 TRP B CZ3 1 ATOM 1506 C CH2 . TRP A 1 185 ? 12.412 -6.942 -1.333 1.00 49.13 ? 184 TRP B CH2 1 ATOM 1507 N N . LYS A 1 186 ? 16.738 -12.514 1.363 1.00 44.16 ? 185 LYS B N 1 ATOM 1508 C CA . LYS A 1 186 ? 16.986 -13.890 1.816 1.00 44.00 ? 185 LYS B CA 1 ATOM 1509 C C . LYS A 1 186 ? 16.145 -14.888 1.030 1.00 43.63 ? 185 LYS B C 1 ATOM 1510 O O . LYS A 1 186 ? 15.017 -14.597 0.660 1.00 44.66 ? 185 LYS B O 1 ATOM 1511 C CB . LYS A 1 186 ? 16.664 -14.021 3.301 1.00 44.33 ? 185 LYS B CB 1 ATOM 1512 C CG . LYS A 1 186 ? 17.002 -15.379 3.901 1.00 44.85 ? 185 LYS B CG 1 ATOM 1513 C CD . LYS A 1 186 ? 16.870 -15.333 5.417 1.00 45.07 ? 185 LYS B CD 1 ATOM 1514 C CE . LYS A 1 186 ? 16.684 -16.707 6.019 1.00 45.01 ? 185 LYS B CE 1 ATOM 1515 N NZ . LYS A 1 186 ? 15.944 -16.575 7.293 1.00 45.31 ? 185 LYS B NZ 1 ATOM 1516 N N . HIS A 1 187 ? 16.694 -16.072 0.795 1.00 43.37 ? 186 HIS B N 1 ATOM 1517 C CA . HIS A 1 187 ? 16.007 -17.125 0.051 1.00 43.20 ? 186 HIS B CA 1 ATOM 1518 C C . HIS A 1 187 ? 16.198 -18.476 0.715 1.00 43.03 ? 186 HIS B C 1 ATOM 1519 O O . HIS A 1 187 ? 17.305 -18.801 1.154 1.00 42.23 ? 186 HIS B O 1 ATOM 1520 C CB . HIS A 1 187 ? 16.560 -17.209 -1.366 1.00 43.44 ? 186 HIS B CB 1 ATOM 1521 C CG . HIS A 1 187 ? 16.290 -15.996 -2.194 1.00 43.40 ? 186 HIS B CG 1 ATOM 1522 N ND1 . HIS A 1 187 ? 17.183 -14.951 -2.294 1.00 43.47 ? 186 HIS B ND1 1 ATOM 1523 C CD2 . HIS A 1 187 ? 15.232 -15.667 -2.969 1.00 43.37 ? 186 HIS B CD2 1 ATOM 1524 C CE1 . HIS A 1 187 ? 16.680 -14.028 -3.095 1.00 43.75 ? 186 HIS B CE1 1 ATOM 1525 N NE2 . HIS A 1 187 ? 15.498 -14.437 -3.517 1.00 43.36 ? 186 HIS B NE2 1 ATOM 1526 N N . SER A 1 188 ? 15.109 -19.241 0.808 1.00 43.71 ? 187 SER B N 1 ATOM 1527 C CA . SER A 1 188 ? 15.191 -20.679 1.047 1.00 44.28 ? 187 SER B CA 1 ATOM 1528 C C . SER A 1 188 ? 15.365 -21.337 -0.309 1.00 43.72 ? 187 SER B C 1 ATOM 1529 O O . SER A 1 188 ? 14.597 -21.061 -1.233 1.00 44.10 ? 187 SER B O 1 ATOM 1530 C CB . SER A 1 188 ? 13.942 -21.226 1.746 1.00 45.67 ? 187 SER B CB 1 ATOM 1531 O OG . SER A 1 188 ? 14.044 -21.062 3.157 1.00 46.52 ? 187 SER B OG 1 ATOM 1532 N N . VAL A 1 189 ? 16.379 -22.189 -0.420 1.00 43.01 ? 188 VAL B N 1 ATOM 1533 C CA . VAL A 1 189 ? 16.719 -22.868 -1.667 1.00 42.92 ? 188 VAL B CA 1 ATOM 1534 C C . VAL A 1 189 ? 16.563 -24.361 -1.432 1.00 42.82 ? 188 VAL B C 1 ATOM 1535 O O . VAL A 1 189 ? 17.017 -24.880 -0.406 1.00 42.34 ? 188 VAL B O 1 ATOM 1536 C CB . VAL A 1 189 ? 18.175 -22.559 -2.100 1.00 42.96 ? 188 VAL B CB 1 ATOM 1537 C CG1 . VAL A 1 189 ? 18.466 -23.083 -3.508 1.00 42.92 ? 188 VAL B CG1 1 ATOM 1538 C CG2 . VAL A 1 189 ? 18.446 -21.061 -2.015 1.00 42.71 ? 188 VAL B CG2 1 ATOM 1539 N N . THR A 1 190 ? 15.912 -25.035 -2.377 1.00 43.21 ? 189 THR B N 1 ATOM 1540 C CA . THR A 1 190 ? 15.760 -26.485 -2.364 1.00 44.03 ? 189 THR B CA 1 ATOM 1541 C C . THR A 1 190 ? 16.691 -27.102 -3.408 1.00 44.74 ? 189 THR B C 1 ATOM 1542 O O . THR A 1 190 ? 16.840 -26.569 -4.509 1.00 44.50 ? 189 THR B O 1 ATOM 1543 C CB . THR A 1 190 ? 14.301 -26.869 -2.664 1.00 44.76 ? 189 THR B CB 1 ATOM 1544 O OG1 . THR A 1 190 ? 13.446 -26.325 -1.647 1.00 43.91 ? 189 THR B OG1 1 ATOM 1545 C CG2 . THR A 1 190 ? 14.130 -28.396 -2.731 1.00 45.47 ? 189 THR B CG2 1 ATOM 1546 N N . TYR A 1 191 ? 17.314 -28.222 -3.050 1.00 46.24 ? 190 TYR B N 1 ATOM 1547 C CA . TYR A 1 191 ? 18.249 -28.948 -3.933 1.00 47.67 ? 190 TYR B CA 1 ATOM 1548 C C . TYR A 1 191 ? 17.761 -30.387 -4.230 1.00 49.85 ? 190 TYR B C 1 ATOM 1549 O O . TYR A 1 191 ? 16.951 -30.952 -3.486 1.00 50.04 ? 190 TYR B O 1 ATOM 1550 C CB . TYR A 1 191 ? 19.643 -28.984 -3.289 1.00 46.64 ? 190 TYR B CB 1 ATOM 1551 C CG . TYR A 1 191 ? 20.384 -27.661 -3.309 1.00 45.61 ? 190 TYR B CG 1 ATOM 1552 C CD1 . TYR A 1 191 ? 20.142 -26.688 -2.347 1.00 45.03 ? 190 TYR B CD1 1 ATOM 1553 C CD2 . TYR A 1 191 ? 21.342 -27.389 -4.288 1.00 45.23 ? 190 TYR B CD2 1 ATOM 1554 C CE1 . TYR A 1 191 ? 20.821 -25.478 -2.363 1.00 44.66 ? 190 TYR B CE1 1 ATOM 1555 C CE2 . TYR A 1 191 ? 22.026 -26.181 -4.313 1.00 44.29 ? 190 TYR B CE2 1 ATOM 1556 C CZ . TYR A 1 191 ? 21.767 -25.228 -3.351 1.00 44.30 ? 190 TYR B CZ 1 ATOM 1557 O OH . TYR A 1 191 ? 22.439 -24.023 -3.377 1.00 43.75 ? 190 TYR B OH 1 ATOM 1558 N N . SER A 1 192 ? 18.262 -30.976 -5.314 1.00 52.51 ? 191 SER B N 1 ATOM 1559 C CA . SER A 1 192 ? 17.841 -32.330 -5.736 1.00 54.79 ? 191 SER B CA 1 ATOM 1560 C C . SER A 1 192 ? 18.220 -33.438 -4.761 1.00 56.83 ? 191 SER B C 1 ATOM 1561 O O . SER A 1 192 ? 17.549 -34.460 -4.721 1.00 57.89 ? 191 SER B O 1 ATOM 1562 C CB . SER A 1 192 ? 18.400 -32.670 -7.118 1.00 54.89 ? 191 SER B CB 1 ATOM 1563 O OG . SER A 1 192 ? 17.885 -31.782 -8.096 1.00 55.55 ? 191 SER B OG 1 ATOM 1564 N N . CYS A 1 193 ? 19.292 -33.244 -3.993 1.00 59.23 ? 192 CYS B N 1 ATOM 1565 C CA . CYS A 1 193 ? 19.718 -34.222 -2.981 1.00 61.91 ? 192 CYS B CA 1 ATOM 1566 C C . CYS A 1 193 ? 18.685 -34.466 -1.889 1.00 64.01 ? 192 CYS B C 1 ATOM 1567 O O . CYS A 1 193 ? 18.496 -35.602 -1.458 1.00 65.79 ? 192 CYS B O 1 ATOM 1568 C CB . CYS A 1 193 ? 20.987 -33.744 -2.273 1.00 62.49 ? 192 CYS B CB 1 ATOM 1569 S SG . CYS A 1 193 ? 20.755 -32.202 -1.343 1.00 63.21 ? 192 CYS B SG 1 ATOM 1570 N N . CYS A 1 194 ? 18.033 -33.388 -1.450 1.00 65.05 ? 193 CYS B N 1 ATOM 1571 C CA . CYS A 1 194 ? 17.484 -33.292 -0.103 1.00 65.79 ? 193 CYS B CA 1 ATOM 1572 C C . CYS A 1 194 ? 16.066 -32.671 -0.100 1.00 65.86 ? 193 CYS B C 1 ATOM 1573 O O . CYS A 1 194 ? 15.920 -31.473 0.132 1.00 65.17 ? 193 CYS B O 1 ATOM 1574 C CB . CYS A 1 194 ? 18.456 -32.454 0.752 1.00 66.41 ? 193 CYS B CB 1 ATOM 1575 S SG . CYS A 1 194 ? 20.237 -32.808 0.560 1.00 68.58 ? 193 CYS B SG 1 ATOM 1576 N N . PRO A 1 195 ? 15.016 -33.484 -0.360 1.00 67.14 ? 194 PRO B N 1 ATOM 1577 C CA . PRO A 1 195 ? 13.632 -32.957 -0.440 1.00 67.48 ? 194 PRO B CA 1 ATOM 1578 C C . PRO A 1 195 ? 13.088 -32.268 0.823 1.00 68.36 ? 194 PRO B C 1 ATOM 1579 O O . PRO A 1 195 ? 12.309 -31.316 0.710 1.00 68.23 ? 194 PRO B O 1 ATOM 1580 C CB . PRO A 1 195 ? 12.781 -34.198 -0.747 1.00 67.59 ? 194 PRO B CB 1 ATOM 1581 C CG . PRO A 1 195 ? 13.666 -35.376 -0.575 1.00 68.10 ? 194 PRO B CG 1 ATOM 1582 C CD . PRO A 1 195 ? 15.078 -34.913 -0.718 1.00 67.66 ? 194 PRO B CD 1 ATOM 1583 N N . ASP A 1 196 ? 13.487 -32.747 2.000 1.00 69.29 ? 195 ASP B N 1 ATOM 1584 C CA . ASP A 1 196 ? 12.941 -32.257 3.274 1.00 69.52 ? 195 ASP B CA 1 ATOM 1585 C C . ASP A 1 196 ? 13.845 -31.231 3.973 1.00 67.91 ? 195 ASP B C 1 ATOM 1586 O O . ASP A 1 196 ? 13.491 -30.748 5.048 1.00 68.30 ? 195 ASP B O 1 ATOM 1587 C CB . ASP A 1 196 ? 12.669 -33.443 4.216 1.00 71.24 ? 195 ASP B CB 1 ATOM 1588 C CG . ASP A 1 196 ? 11.861 -34.572 3.543 1.00 73.70 ? 195 ASP B CG 1 ATOM 1589 O OD1 . ASP A 1 196 ? 10.928 -34.291 2.749 1.00 74.11 ? 195 ASP B OD1 1 ATOM 1590 O OD2 . ASP A 1 196 ? 12.165 -35.754 3.813 1.00 75.09 ? 195 ASP B OD2 1 ATOM 1591 N N . THR A 1 197 ? 14.978 -30.883 3.348 1.00 66.10 ? 196 THR B N 1 ATOM 1592 C CA . THR A 1 197 ? 16.051 -30.091 3.974 1.00 63.18 ? 196 THR B CA 1 ATOM 1593 C C . THR A 1 197 ? 16.205 -28.711 3.317 1.00 59.32 ? 196 THR B C 1 ATOM 1594 O O . THR A 1 197 ? 16.527 -28.624 2.129 1.00 58.48 ? 196 THR B O 1 ATOM 1595 C CB . THR A 1 197 ? 17.406 -30.819 3.836 1.00 64.96 ? 196 THR B CB 1 ATOM 1596 O OG1 . THR A 1 197 ? 17.283 -32.172 4.304 1.00 66.77 ? 196 THR B OG1 1 ATOM 1597 C CG2 . THR A 1 197 ? 18.501 -30.109 4.618 1.00 64.89 ? 196 THR B CG2 1 ATOM 1598 N N . PRO A 1 198 ? 16.000 -27.629 4.089 1.00 56.10 ? 197 PRO B N 1 ATOM 1599 C CA . PRO A 1 198 ? 16.169 -26.292 3.528 1.00 52.88 ? 197 PRO B CA 1 ATOM 1600 C C . PRO A 1 198 ? 17.632 -25.824 3.545 1.00 49.16 ? 197 PRO B C 1 ATOM 1601 O O . PRO A 1 198 ? 18.335 -26.000 4.540 1.00 48.54 ? 197 PRO B O 1 ATOM 1602 C CB . PRO A 1 198 ? 15.318 -25.430 4.467 1.00 53.40 ? 197 PRO B CB 1 ATOM 1603 C CG . PRO A 1 198 ? 15.473 -26.091 5.801 1.00 54.34 ? 197 PRO B CG 1 ATOM 1604 C CD . PRO A 1 198 ? 15.625 -27.568 5.521 1.00 55.58 ? 197 PRO B CD 1 ATOM 1605 N N . TYR A 1 199 ? 18.084 -25.241 2.444 1.00 46.14 ? 198 TYR B N 1 ATOM 1606 C CA . TYR A 1 199 ? 19.289 -24.424 2.449 1.00 43.59 ? 198 TYR B CA 1 ATOM 1607 C C . TYR A 1 199 ? 18.866 -22.974 2.345 1.00 42.44 ? 198 TYR B C 1 ATOM 1608 O O . TYR A 1 199 ? 17.722 -22.670 1.980 1.00 42.01 ? 198 TYR B O 1 ATOM 1609 C CB . TYR A 1 199 ? 20.210 -24.799 1.304 1.00 43.11 ? 198 TYR B CB 1 ATOM 1610 C CG . TYR A 1 199 ? 20.827 -26.168 1.464 1.00 43.50 ? 198 TYR B CG 1 ATOM 1611 C CD1 . TYR A 1 199 ? 20.176 -27.307 0.984 1.00 43.80 ? 198 TYR B CD1 1 ATOM 1612 C CD2 . TYR A 1 199 ? 22.063 -26.330 2.092 1.00 43.02 ? 198 TYR B CD2 1 ATOM 1613 C CE1 . TYR A 1 199 ? 20.741 -28.565 1.119 1.00 44.38 ? 198 TYR B CE1 1 ATOM 1614 C CE2 . TYR A 1 199 ? 22.634 -27.581 2.238 1.00 43.63 ? 198 TYR B CE2 1 ATOM 1615 C CZ . TYR A 1 199 ? 21.971 -28.697 1.747 1.00 44.45 ? 198 TYR B CZ 1 ATOM 1616 O OH . TYR A 1 199 ? 22.530 -29.947 1.883 1.00 45.20 ? 198 TYR B OH 1 ATOM 1617 N N . LEU A 1 200 ? 19.795 -22.083 2.676 1.00 41.16 ? 199 LEU B N 1 ATOM 1618 C CA . LEU A 1 200 ? 19.508 -20.668 2.805 1.00 40.20 ? 199 LEU B CA 1 ATOM 1619 C C . LEU A 1 200 ? 20.590 -19.848 2.139 1.00 39.96 ? 199 LEU B C 1 ATOM 1620 O O . LEU A 1 200 ? 21.776 -20.145 2.286 1.00 39.24 ? 199 LEU B O 1 ATOM 1621 C CB . LEU A 1 200 ? 19.440 -20.285 4.283 1.00 39.71 ? 199 LEU B CB 1 ATOM 1622 C CG . LEU A 1 200 ? 18.353 -20.934 5.142 1.00 39.57 ? 199 LEU B CG 1 ATOM 1623 C CD1 . LEU A 1 200 ? 18.641 -20.677 6.605 1.00 39.66 ? 199 LEU B CD1 1 ATOM 1624 C CD2 . LEU A 1 200 ? 16.980 -20.402 4.779 1.00 39.61 ? 199 LEU B CD2 1 ATOM 1625 N N . ASP A 1 201 ? 20.176 -18.809 1.415 1.00 40.17 ? 200 ASP B N 1 ATOM 1626 C CA . ASP A 1 201 ? 21.114 -17.819 0.903 1.00 39.94 ? 200 ASP B CA 1 ATOM 1627 C C . ASP A 1 201 ? 20.590 -16.400 1.088 1.00 38.46 ? 200 ASP B C 1 ATOM 1628 O O . ASP A 1 201 ? 19.422 -16.193 1.363 1.00 37.49 ? 200 ASP B O 1 ATOM 1629 C CB . ASP A 1 201 ? 21.509 -18.111 -0.561 1.00 41.02 ? 200 ASP B CB 1 ATOM 1630 C CG . ASP A 1 201 ? 20.534 -17.537 -1.587 1.00 42.70 ? 200 ASP B CG 1 ATOM 1631 O OD1 . ASP A 1 201 ? 20.195 -16.329 -1.523 1.00 43.99 ? 200 ASP B OD1 1 ATOM 1632 O OD2 . ASP A 1 201 ? 20.143 -18.291 -2.508 1.00 44.54 ? 200 ASP B OD2 1 ATOM 1633 N N . ILE A 1 202 ? 21.502 -15.442 0.964 1.00 37.43 ? 201 ILE B N 1 ATOM 1634 C CA . ILE A 1 202 ? 21.177 -14.028 0.926 1.00 36.99 ? 201 ILE B CA 1 ATOM 1635 C C . ILE A 1 202 ? 21.879 -13.485 -0.312 1.00 36.34 ? 201 ILE B C 1 ATOM 1636 O O . ILE A 1 202 ? 23.073 -13.711 -0.495 1.00 36.57 ? 201 ILE B O 1 ATOM 1637 C CB . ILE A 1 202 ? 21.638 -13.283 2.202 1.00 36.68 ? 201 ILE B CB 1 ATOM 1638 C CG1 . ILE A 1 202 ? 20.957 -13.869 3.441 1.00 36.71 ? 201 ILE B CG1 1 ATOM 1639 C CG2 . ILE A 1 202 ? 21.303 -11.799 2.106 1.00 36.73 ? 201 ILE B CG2 1 ATOM 1640 C CD1 . ILE A 1 202 ? 21.591 -13.434 4.745 1.00 37.04 ? 201 ILE B CD1 1 ATOM 1641 N N . THR A 1 203 ? 21.136 -12.790 -1.160 1.00 35.91 ? 202 THR B N 1 ATOM 1642 C CA . THR A 1 203 ? 21.663 -12.281 -2.421 1.00 35.95 ? 202 THR B CA 1 ATOM 1643 C C . THR A 1 203 ? 21.649 -10.761 -2.370 1.00 35.72 ? 202 THR B C 1 ATOM 1644 O O . THR A 1 203 ? 20.591 -10.141 -2.245 1.00 36.05 ? 202 THR B O 1 ATOM 1645 C CB . THR A 1 203 ? 20.818 -12.763 -3.613 1.00 36.03 ? 202 THR B CB 1 ATOM 1646 O OG1 . THR A 1 203 ? 20.853 -14.190 -3.678 1.00 36.21 ? 202 THR B OG1 1 ATOM 1647 C CG2 . THR A 1 203 ? 21.329 -12.196 -4.908 1.00 36.06 ? 202 THR B CG2 1 ATOM 1648 N N . TYR A 1 204 ? 22.828 -10.171 -2.458 1.00 35.41 ? 203 TYR B N 1 ATOM 1649 C CA . TYR A 1 204 ? 22.962 -8.736 -2.490 1.00 35.79 ? 203 TYR B CA 1 ATOM 1650 C C . TYR A 1 204 ? 23.219 -8.350 -3.922 1.00 36.34 ? 203 TYR B C 1 ATOM 1651 O O . TYR A 1 204 ? 24.085 -8.941 -4.568 1.00 36.25 ? 203 TYR B O 1 ATOM 1652 C CB . TYR A 1 204 ? 24.137 -8.281 -1.636 1.00 35.65 ? 203 TYR B CB 1 ATOM 1653 C CG . TYR A 1 204 ? 23.951 -8.515 -0.172 1.00 35.53 ? 203 TYR B CG 1 ATOM 1654 C CD1 . TYR A 1 204 ? 23.287 -7.589 0.616 1.00 35.86 ? 203 TYR B CD1 1 ATOM 1655 C CD2 . TYR A 1 204 ? 24.450 -9.662 0.433 1.00 35.58 ? 203 TYR B CD2 1 ATOM 1656 C CE1 . TYR A 1 204 ? 23.124 -7.797 1.974 1.00 36.28 ? 203 TYR B CE1 1 ATOM 1657 C CE2 . TYR A 1 204 ? 24.293 -9.881 1.791 1.00 35.91 ? 203 TYR B CE2 1 ATOM 1658 C CZ . TYR A 1 204 ? 23.634 -8.947 2.559 1.00 35.91 ? 203 TYR B CZ 1 ATOM 1659 O OH . TYR A 1 204 ? 23.487 -9.168 3.900 1.00 35.65 ? 203 TYR B OH 1 ATOM 1660 N N . HIS A 1 205 ? 22.464 -7.379 -4.422 1.00 37.02 ? 204 HIS B N 1 ATOM 1661 C CA . HIS A 1 205 ? 22.744 -6.806 -5.718 1.00 37.70 ? 204 HIS B CA 1 ATOM 1662 C C . HIS A 1 205 ? 22.948 -5.315 -5.549 1.00 38.55 ? 204 HIS B C 1 ATOM 1663 O O . HIS A 1 205 ? 22.601 -4.740 -4.507 1.00 38.52 ? 204 HIS B O 1 ATOM 1664 C CB . HIS A 1 205 ? 21.630 -7.125 -6.733 1.00 37.97 ? 204 HIS B CB 1 ATOM 1665 C CG . HIS A 1 205 ? 20.358 -6.367 -6.508 1.00 38.40 ? 204 HIS B CG 1 ATOM 1666 N ND1 . HIS A 1 205 ? 19.371 -6.806 -5.655 1.00 38.63 ? 204 HIS B ND1 1 ATOM 1667 C CD2 . HIS A 1 205 ? 19.915 -5.196 -7.023 1.00 38.69 ? 204 HIS B CD2 1 ATOM 1668 C CE1 . HIS A 1 205 ? 18.380 -5.934 -5.646 1.00 38.59 ? 204 HIS B CE1 1 ATOM 1669 N NE2 . HIS A 1 205 ? 18.685 -4.948 -6.468 1.00 38.64 ? 204 HIS B NE2 1 ATOM 1670 N N . PHE A 1 206 ? 23.564 -4.715 -6.560 1.00 38.99 ? 205 PHE B N 1 ATOM 1671 C CA . PHE A 1 206 ? 23.558 -3.281 -6.718 1.00 40.03 ? 205 PHE B CA 1 ATOM 1672 C C . PHE A 1 206 ? 23.501 -2.937 -8.206 1.00 40.70 ? 205 PHE B C 1 ATOM 1673 O O . PHE A 1 206 ? 24.078 -3.635 -9.041 1.00 40.13 ? 205 PHE B O 1 ATOM 1674 C CB . PHE A 1 206 ? 24.748 -2.617 -6.009 1.00 40.80 ? 205 PHE B CB 1 ATOM 1675 C CG . PHE A 1 206 ? 26.100 -3.041 -6.519 1.00 41.83 ? 205 PHE B CG 1 ATOM 1676 C CD1 . PHE A 1 206 ? 26.658 -2.446 -7.663 1.00 42.79 ? 205 PHE B CD1 1 ATOM 1677 C CD2 . PHE A 1 206 ? 26.843 -4.010 -5.843 1.00 42.32 ? 205 PHE B CD2 1 ATOM 1678 C CE1 . PHE A 1 206 ? 27.917 -2.829 -8.130 1.00 43.26 ? 205 PHE B CE1 1 ATOM 1679 C CE2 . PHE A 1 206 ? 28.100 -4.400 -6.309 1.00 42.76 ? 205 PHE B CE2 1 ATOM 1680 C CZ . PHE A 1 206 ? 28.643 -3.808 -7.453 1.00 43.00 ? 205 PHE B CZ 1 ATOM 1681 N N . VAL A 1 207 ? 22.764 -1.879 -8.528 1.00 41.52 ? 206 VAL B N 1 ATOM 1682 C CA . VAL A 1 207 ? 22.712 -1.363 -9.871 1.00 42.27 ? 206 VAL B CA 1 ATOM 1683 C C . VAL A 1 207 ? 23.624 -0.140 -9.937 1.00 43.33 ? 206 VAL B C 1 ATOM 1684 O O . VAL A 1 207 ? 23.453 0.828 -9.180 1.00 42.92 ? 206 VAL B O 1 ATOM 1685 C CB . VAL A 1 207 ? 21.269 -1.040 -10.297 1.00 42.59 ? 206 VAL B CB 1 ATOM 1686 C CG1 . VAL A 1 207 ? 21.225 -0.508 -11.725 1.00 42.52 ? 206 VAL B CG1 1 ATOM 1687 C CG2 . VAL A 1 207 ? 20.426 -2.301 -10.190 1.00 42.67 ? 206 VAL B CG2 1 ATOM 1688 N N . MET A 1 208 ? 24.595 -0.206 -10.845 1.00 44.33 ? 207 MET B N 1 ATOM 1689 C CA . MET A 1 208 ? 25.509 0.898 -11.083 1.00 46.00 ? 207 MET B CA 1 ATOM 1690 C C . MET A 1 208 ? 25.118 1.575 -12.383 1.00 47.51 ? 207 MET B C 1 ATOM 1691 O O . MET A 1 208 ? 24.666 0.931 -13.317 1.00 46.18 ? 207 MET B O 1 ATOM 1692 C CB . MET A 1 208 ? 26.995 0.484 -11.057 1.00 45.77 ? 207 MET B CB 1 ATOM 1693 C CG . MET A 1 208 ? 27.371 -0.830 -11.717 1.00 45.49 ? 207 MET B CG 1 ATOM 1694 S SD . MET A 1 208 ? 29.104 -1.260 -11.440 1.00 45.24 ? 207 MET B SD 1 ATOM 1695 C CE . MET A 1 208 ? 29.956 -0.319 -12.696 1.00 45.80 ? 207 MET B CE 1 ATOM 1696 N N . GLN A 1 209 ? 25.272 2.893 -12.398 1.00 51.06 ? 208 GLN B N 1 ATOM 1697 C CA . GLN A 1 209 ? 24.884 3.740 -13.515 1.00 53.51 ? 208 GLN B CA 1 ATOM 1698 C C . GLN A 1 209 ? 26.023 4.696 -13.857 1.00 54.53 ? 208 GLN B C 1 ATOM 1699 O O . GLN A 1 209 ? 26.731 5.166 -12.972 1.00 54.34 ? 208 GLN B O 1 ATOM 1700 C CB . GLN A 1 209 ? 23.635 4.536 -13.140 1.00 54.95 ? 208 GLN B CB 1 ATOM 1701 C CG . GLN A 1 209 ? 23.020 5.322 -14.283 1.00 56.71 ? 208 GLN B CG 1 ATOM 1702 C CD . GLN A 1 209 ? 21.865 6.173 -13.818 1.00 58.58 ? 208 GLN B CD 1 ATOM 1703 O OE1 . GLN A 1 209 ? 22.061 7.277 -13.292 1.00 60.01 ? 208 GLN B OE1 1 ATOM 1704 N NE2 . GLN A 1 209 ? 20.647 5.668 -14.005 1.00 59.25 ? 208 GLN B NE2 1 ATOM 1705 N N . ARG A 1 210 ? 26.166 4.999 -15.142 1.00 56.32 ? 209 ARG B N 1 ATOM 1706 C CA . ARG A 1 210 ? 27.241 5.855 -15.628 1.00 57.63 ? 209 ARG B CA 1 ATOM 1707 C C . ARG A 1 210 ? 26.894 7.331 -15.394 1.00 57.93 ? 209 ARG B C 1 ATOM 1708 O O . ARG A 1 210 ? 25.788 7.767 -15.707 1.00 58.26 ? 209 ARG B O 1 ATOM 1709 C CB . ARG A 1 210 ? 27.468 5.585 -17.111 1.00 59.40 ? 209 ARG B CB 1 ATOM 1710 C CG . ARG A 1 210 ? 28.852 5.952 -17.599 1.00 61.26 ? 209 ARG B CG 1 ATOM 1711 C CD . ARG A 1 210 ? 28.944 5.848 -19.113 1.00 62.70 ? 209 ARG B CD 1 ATOM 1712 N NE . ARG A 1 210 ? 28.699 4.484 -19.578 1.00 63.47 ? 209 ARG B NE 1 ATOM 1713 C CZ . ARG A 1 210 ? 29.559 3.465 -19.478 1.00 64.14 ? 209 ARG B CZ 1 ATOM 1714 N NH1 . ARG A 1 210 ? 30.762 3.616 -18.913 1.00 64.43 ? 209 ARG B NH1 1 ATOM 1715 N NH2 . ARG A 1 210 ? 29.209 2.269 -19.949 1.00 64.36 ? 209 ARG B NH2 1 ATOM 1716 N N . LEU A 1 211 ? 27.832 8.081 -14.817 1.00 58.71 ? 210 LEU B N 1 ATOM 1717 C CA . LEU A 1 211 ? 27.683 9.529 -14.629 1.00 59.31 ? 210 LEU B CA 1 ATOM 1718 C C . LEU A 1 211 ? 27.839 10.233 -15.975 1.00 60.39 ? 210 LEU B C 1 ATOM 1719 O O . LEU A 1 211 ? 28.678 9.820 -16.770 1.00 60.31 ? 210 LEU B O 1 ATOM 1720 C CB . LEU A 1 211 ? 28.739 10.076 -13.660 1.00 59.04 ? 210 LEU B CB 1 ATOM 1721 C CG . LEU A 1 211 ? 28.603 9.693 -12.186 1.00 59.09 ? 210 LEU B CG 1 ATOM 1722 C CD1 . LEU A 1 211 ? 29.836 10.134 -11.413 1.00 59.10 ? 210 LEU B CD1 1 ATOM 1723 C CD2 . LEU A 1 211 ? 27.345 10.297 -11.574 1.00 59.72 ? 210 LEU B CD2 1 ATOM 1724 N N . PRO A 1 212 ? 27.052 11.300 -16.235 1.00 62.47 ? 211 PRO B N 1 ATOM 1725 C CA . PRO A 1 212 ? 27.201 12.010 -17.519 1.00 63.52 ? 211 PRO B CA 1 ATOM 1726 C C . PRO A 1 212 ? 28.526 12.776 -17.657 1.00 64.23 ? 211 PRO B C 1 ATOM 1727 O O . PRO A 1 212 ? 28.986 13.414 -16.710 1.00 64.18 ? 211 PRO B O 1 ATOM 1728 C CB . PRO A 1 212 ? 26.011 12.989 -17.526 1.00 64.19 ? 211 PRO B CB 1 ATOM 1729 C CG . PRO A 1 212 ? 25.073 12.494 -16.480 1.00 63.80 ? 211 PRO B CG 1 ATOM 1730 C CD . PRO A 1 212 ? 25.949 11.870 -15.437 1.00 63.03 ? 211 PRO B CD 1 ATOM 1731 O OXT . PRO A 1 212 ? 29.168 12.777 -18.717 1.00 64.78 ? 211 PRO B OXT 1 ATOM 1732 N N . ASP B 2 1 ? 26.431 -5.284 38.838 1.00 70.17 ? 1 ASP C N 1 ATOM 1733 C CA . ASP B 2 1 ? 26.237 -6.765 38.691 1.00 68.54 ? 1 ASP C CA 1 ATOM 1734 C C . ASP B 2 1 ? 24.740 -7.129 38.796 1.00 65.11 ? 1 ASP C C 1 ATOM 1735 O O . ASP B 2 1 ? 23.886 -6.243 38.860 1.00 66.07 ? 1 ASP C O 1 ATOM 1736 C CB . ASP B 2 1 ? 27.085 -7.533 39.735 1.00 69.45 ? 1 ASP C CB 1 ATOM 1737 C CG . ASP B 2 1 ? 28.574 -7.146 39.706 1.00 72.82 ? 1 ASP C CG 1 ATOM 1738 O OD1 . ASP B 2 1 ? 29.064 -6.621 38.670 1.00 73.75 ? 1 ASP C OD1 1 ATOM 1739 O OD2 . ASP B 2 1 ? 29.256 -7.376 40.734 1.00 73.93 ? 1 ASP C OD2 1 ATOM 1740 N N . ILE B 2 2 ? 24.438 -8.426 38.800 1.00 60.27 ? 2 ILE C N 1 ATOM 1741 C CA . ILE B 2 2 ? 23.076 -8.925 38.917 1.00 57.07 ? 2 ILE C CA 1 ATOM 1742 C C . ILE B 2 2 ? 22.694 -8.868 40.398 1.00 55.47 ? 2 ILE C C 1 ATOM 1743 O O . ILE B 2 2 ? 23.511 -9.193 41.256 1.00 55.20 ? 2 ILE C O 1 ATOM 1744 C CB . ILE B 2 2 ? 22.967 -10.368 38.368 1.00 56.02 ? 2 ILE C CB 1 ATOM 1745 C CG1 . ILE B 2 2 ? 23.427 -10.417 36.905 1.00 57.61 ? 2 ILE C CG1 1 ATOM 1746 C CG2 . ILE B 2 2 ? 21.538 -10.885 38.442 1.00 55.78 ? 2 ILE C CG2 1 ATOM 1747 C CD1 . ILE B 2 2 ? 23.445 -11.797 36.277 1.00 57.30 ? 2 ILE C CD1 1 ATOM 1748 N N . VAL B 2 3 ? 21.466 -8.439 40.694 1.00 53.51 ? 3 VAL C N 1 ATOM 1749 C CA . VAL B 2 3 ? 20.956 -8.396 42.071 1.00 51.10 ? 3 VAL C CA 1 ATOM 1750 C C . VAL B 2 3 ? 19.898 -9.485 42.223 1.00 48.60 ? 3 VAL C C 1 ATOM 1751 O O . VAL B 2 3 ? 19.132 -9.753 41.306 1.00 48.23 ? 3 VAL C O 1 ATOM 1752 C CB . VAL B 2 3 ? 20.383 -7.005 42.441 1.00 52.77 ? 3 VAL C CB 1 ATOM 1753 C CG1 . VAL B 2 3 ? 19.948 -6.960 43.915 1.00 52.67 ? 3 VAL C CG1 1 ATOM 1754 C CG2 . VAL B 2 3 ? 21.404 -5.896 42.150 1.00 53.78 ? 3 VAL C CG2 1 ATOM 1755 N N . ILE B 2 4 ? 19.862 -10.100 43.398 1.00 46.65 ? 4 ILE C N 1 ATOM 1756 C CA . ILE B 2 4 ? 19.078 -11.293 43.645 1.00 45.42 ? 4 ILE C CA 1 ATOM 1757 C C . ILE B 2 4 ? 18.179 -11.086 44.854 1.00 44.72 ? 4 ILE C C 1 ATOM 1758 O O . ILE B 2 4 ? 18.646 -10.621 45.883 1.00 44.69 ? 4 ILE C O 1 ATOM 1759 C CB . ILE B 2 4 ? 20.029 -12.463 43.931 1.00 45.32 ? 4 ILE C CB 1 ATOM 1760 C CG1 . ILE B 2 4 ? 20.555 -13.062 42.630 1.00 45.27 ? 4 ILE C CG1 1 ATOM 1761 C CG2 . ILE B 2 4 ? 19.333 -13.568 44.704 1.00 45.74 ? 4 ILE C CG2 1 ATOM 1762 C CD1 . ILE B 2 4 ? 21.551 -14.175 42.856 1.00 44.53 ? 4 ILE C CD1 1 ATOM 1763 N N . THR B 2 5 ? 16.909 -11.468 44.745 1.00 44.36 ? 5 THR C N 1 ATOM 1764 C CA . THR B 2 5 ? 15.991 -11.420 45.882 1.00 44.42 ? 5 THR C CA 1 ATOM 1765 C C . THR B 2 5 ? 15.350 -12.787 46.075 1.00 44.27 ? 5 THR C C 1 ATOM 1766 O O . THR B 2 5 ? 14.937 -13.433 45.109 1.00 44.61 ? 5 THR C O 1 ATOM 1767 C CB . THR B 2 5 ? 14.901 -10.320 45.749 1.00 45.04 ? 5 THR C CB 1 ATOM 1768 O OG1 . THR B 2 5 ? 14.020 -10.611 44.660 1.00 44.97 ? 5 THR C OG1 1 ATOM 1769 C CG2 . THR B 2 5 ? 15.535 -8.937 45.546 1.00 45.85 ? 5 THR C CG2 1 ATOM 1770 N N . GLN B 2 6 ? 15.275 -13.210 47.336 1.00 43.47 ? 6 GLN C N 1 ATOM 1771 C CA . GLN B 2 6 ? 14.812 -14.531 47.699 1.00 43.46 ? 6 GLN C CA 1 ATOM 1772 C C . GLN B 2 6 ? 13.476 -14.440 48.395 1.00 44.75 ? 6 GLN C C 1 ATOM 1773 O O . GLN B 2 6 ? 13.220 -13.495 49.138 1.00 46.13 ? 6 GLN C O 1 ATOM 1774 C CB . GLN B 2 6 ? 15.819 -15.210 48.629 1.00 42.24 ? 6 GLN C CB 1 ATOM 1775 C CG . GLN B 2 6 ? 16.936 -15.930 47.916 1.00 41.63 ? 6 GLN C CG 1 ATOM 1776 C CD . GLN B 2 6 ? 17.744 -16.819 48.845 1.00 41.06 ? 6 GLN C CD 1 ATOM 1777 O OE1 . GLN B 2 6 ? 18.839 -16.451 49.260 1.00 41.10 ? 6 GLN C OE1 1 ATOM 1778 N NE2 . GLN B 2 6 ? 17.218 -17.993 49.162 1.00 39.84 ? 6 GLN C NE2 1 ATOM 1779 N N . SER B 2 7 ? 12.639 -15.446 48.183 1.00 46.37 ? 7 SER C N 1 ATOM 1780 C CA . SER B 2 7 ? 11.345 -15.519 48.846 1.00 47.85 ? 7 SER C CA 1 ATOM 1781 C C . SER B 2 7 ? 10.870 -16.974 48.982 1.00 49.54 ? 7 SER C C 1 ATOM 1782 O O . SER B 2 7 ? 11.280 -17.831 48.195 1.00 50.65 ? 7 SER C O 1 ATOM 1783 C CB . SER B 2 7 ? 10.303 -14.704 48.077 1.00 47.89 ? 7 SER C CB 1 ATOM 1784 O OG . SER B 2 7 ? 10.060 -15.283 46.816 1.00 48.28 ? 7 SER C OG 1 ATOM 1785 N N . PRO B 2 8 ? 10.038 -17.269 49.984 1.00 51.13 ? 8 PRO C N 1 ATOM 1786 C CA . PRO B 2 8 ? 9.727 -16.352 51.090 1.00 51.48 ? 8 PRO C CA 1 ATOM 1787 C C . PRO B 2 8 ? 10.938 -16.158 52.018 1.00 51.61 ? 8 PRO C C 1 ATOM 1788 O O . PRO B 2 8 ? 11.764 -17.057 52.154 1.00 50.95 ? 8 PRO C O 1 ATOM 1789 C CB . PRO B 2 8 ? 8.570 -17.046 51.810 1.00 51.03 ? 8 PRO C CB 1 ATOM 1790 C CG . PRO B 2 8 ? 8.579 -18.468 51.344 1.00 51.46 ? 8 PRO C CG 1 ATOM 1791 C CD . PRO B 2 8 ? 9.607 -18.646 50.267 1.00 51.16 ? 8 PRO C CD 1 ATOM 1792 N N . SER B 2 9 ? 11.042 -14.979 52.615 1.00 53.22 ? 9 SER C N 1 ATOM 1793 C CA . SER B 2 9 ? 12.186 -14.623 53.456 1.00 55.10 ? 9 SER C CA 1 ATOM 1794 C C . SER B 2 9 ? 12.276 -15.463 54.730 1.00 56.59 ? 9 SER C C 1 ATOM 1795 O O . SER B 2 9 ? 13.368 -15.823 55.177 1.00 55.61 ? 9 SER C O 1 ATOM 1796 C CB . SER B 2 9 ? 12.118 -13.146 53.823 1.00 55.80 ? 9 SER C CB 1 ATOM 1797 O OG . SER B 2 9 ? 13.257 -12.773 54.564 1.00 57.98 ? 9 SER C OG 1 ATOM 1798 N N . LEU B 2 10 ? 11.115 -15.738 55.317 1.00 59.17 ? 10 LEU C N 1 ATOM 1799 C CA . LEU B 2 10 ? 10.974 -16.699 56.404 1.00 59.86 ? 10 LEU C CA 1 ATOM 1800 C C . LEU B 2 10 ? 9.836 -17.630 56.017 1.00 60.07 ? 10 LEU C C 1 ATOM 1801 O O . LEU B 2 10 ? 8.790 -17.164 55.563 1.00 61.22 ? 10 LEU C O 1 ATOM 1802 C CB . LEU B 2 10 ? 10.664 -15.969 57.707 1.00 60.69 ? 10 LEU C CB 1 ATOM 1803 C CG . LEU B 2 10 ? 10.396 -16.798 58.965 1.00 62.52 ? 10 LEU C CG 1 ATOM 1804 C CD1 . LEU B 2 10 ? 11.536 -17.759 59.293 1.00 62.36 ? 10 LEU C CD1 1 ATOM 1805 C CD2 . LEU B 2 10 ? 10.127 -15.852 60.132 1.00 63.35 ? 10 LEU C CD2 1 ATOM 1806 N N . LEU B 2 11 ? 10.044 -18.936 56.169 1.00 60.21 ? 11 LEU C N 1 ATOM 1807 C CA . LEU B 2 11 ? 9.065 -19.933 55.738 1.00 60.64 ? 11 LEU C CA 1 ATOM 1808 C C . LEU B 2 11 ? 8.790 -20.911 56.867 1.00 60.73 ? 11 LEU C C 1 ATOM 1809 O O . LEU B 2 11 ? 9.726 -21.441 57.471 1.00 61.37 ? 11 LEU C O 1 ATOM 1810 C CB . LEU B 2 11 ? 9.572 -20.690 54.504 1.00 61.13 ? 11 LEU C CB 1 ATOM 1811 C CG . LEU B 2 11 ? 8.627 -21.714 53.841 1.00 62.55 ? 11 LEU C CG 1 ATOM 1812 C CD1 . LEU B 2 11 ? 7.213 -21.182 53.657 1.00 63.68 ? 11 LEU C CD1 1 ATOM 1813 C CD2 . LEU B 2 11 ? 9.176 -22.187 52.502 1.00 62.52 ? 11 LEU C CD2 1 ATOM 1814 N N . SER B 2 12 ? 7.503 -21.125 57.150 1.00 60.36 ? 12 SER C N 1 ATOM 1815 C CA . SER B 2 12 ? 7.049 -22.154 58.079 1.00 59.05 ? 12 SER C CA 1 ATOM 1816 C C . SER B 2 12 ? 6.406 -23.314 57.321 1.00 56.90 ? 12 SER C C 1 ATOM 1817 O O . SER B 2 12 ? 5.710 -23.091 56.337 1.00 56.30 ? 12 SER C O 1 ATOM 1818 C CB . SER B 2 12 ? 6.072 -21.554 59.078 1.00 60.54 ? 12 SER C CB 1 ATOM 1819 O OG . SER B 2 12 ? 6.713 -20.535 59.834 1.00 61.45 ? 12 SER C OG 1 ATOM 1820 N N . ALA B 2 13 ? 6.655 -24.541 57.784 1.00 55.15 ? 13 ALA C N 1 ATOM 1821 C CA . ALA B 2 13 ? 6.146 -25.762 57.142 1.00 54.52 ? 13 ALA C CA 1 ATOM 1822 C C . ALA B 2 13 ? 6.346 -26.983 58.034 1.00 54.37 ? 13 ALA C C 1 ATOM 1823 O O . ALA B 2 13 ? 7.373 -27.102 58.709 1.00 52.96 ? 13 ALA C O 1 ATOM 1824 C CB . ALA B 2 13 ? 6.856 -25.996 55.815 1.00 54.20 ? 13 ALA C CB 1 ATOM 1825 N N . SER B 2 14 ? 5.382 -27.903 58.029 1.00 55.05 ? 14 SER C N 1 ATOM 1826 C CA . SER B 2 14 ? 5.531 -29.165 58.765 1.00 55.05 ? 14 SER C CA 1 ATOM 1827 C C . SER B 2 14 ? 6.329 -30.200 57.958 1.00 54.35 ? 14 SER C C 1 ATOM 1828 O O . SER B 2 14 ? 6.504 -30.075 56.750 1.00 52.35 ? 14 SER C O 1 ATOM 1829 C CB . SER B 2 14 ? 4.169 -29.728 59.178 1.00 55.79 ? 14 SER C CB 1 ATOM 1830 O OG . SER B 2 14 ? 3.321 -29.866 58.059 1.00 56.80 ? 14 SER C OG 1 ATOM 1831 N N . VAL B 2 15 ? 6.822 -31.210 58.669 1.00 55.12 ? 15 VAL C N 1 ATOM 1832 C CA . VAL B 2 15 ? 7.546 -32.335 58.081 1.00 55.93 ? 15 VAL C CA 1 ATOM 1833 C C . VAL B 2 15 ? 6.647 -33.073 57.089 1.00 57.48 ? 15 VAL C C 1 ATOM 1834 O O . VAL B 2 15 ? 5.455 -33.258 57.343 1.00 58.05 ? 15 VAL C O 1 ATOM 1835 C CB . VAL B 2 15 ? 8.040 -33.304 59.188 1.00 56.20 ? 15 VAL C CB 1 ATOM 1836 C CG1 . VAL B 2 15 ? 8.426 -34.682 58.641 1.00 57.02 ? 15 VAL C CG1 1 ATOM 1837 C CG2 . VAL B 2 15 ? 9.200 -32.673 59.940 1.00 54.82 ? 15 VAL C CG2 1 ATOM 1838 N N . GLY B 2 16 ? 7.231 -33.476 55.962 1.00 58.24 ? 16 GLY C N 1 ATOM 1839 C CA . GLY B 2 16 ? 6.494 -34.101 54.870 1.00 60.17 ? 16 GLY C CA 1 ATOM 1840 C C . GLY B 2 16 ? 5.900 -33.134 53.857 1.00 60.30 ? 16 GLY C C 1 ATOM 1841 O O . GLY B 2 16 ? 5.467 -33.570 52.791 1.00 60.52 ? 16 GLY C O 1 ATOM 1842 N N . ASP B 2 17 ? 5.868 -31.834 54.178 1.00 60.80 ? 17 ASP C N 1 ATOM 1843 C CA . ASP B 2 17 ? 5.379 -30.805 53.250 1.00 61.47 ? 17 ASP C CA 1 ATOM 1844 C C . ASP B 2 17 ? 6.351 -30.555 52.095 1.00 60.47 ? 17 ASP C C 1 ATOM 1845 O O . ASP B 2 17 ? 7.576 -30.670 52.228 1.00 57.58 ? 17 ASP C O 1 ATOM 1846 C CB . ASP B 2 17 ? 5.133 -29.451 53.950 1.00 61.76 ? 17 ASP C CB 1 ATOM 1847 C CG . ASP B 2 17 ? 3.987 -29.481 54.957 1.00 63.53 ? 17 ASP C CG 1 ATOM 1848 O OD1 . ASP B 2 17 ? 3.125 -30.392 54.894 1.00 66.23 ? 17 ASP C OD1 1 ATOM 1849 O OD2 . ASP B 2 17 ? 3.948 -28.563 55.813 1.00 62.43 ? 17 ASP C OD2 1 ATOM 1850 N N . ARG B 2 18 ? 5.759 -30.180 50.972 1.00 61.59 ? 18 ARG C N 1 ATOM 1851 C CA . ARG B 2 18 ? 6.469 -29.827 49.764 1.00 62.18 ? 18 ARG C CA 1 ATOM 1852 C C . ARG B 2 18 ? 6.668 -28.318 49.816 1.00 60.43 ? 18 ARG C C 1 ATOM 1853 O O . ARG B 2 18 ? 5.690 -27.580 49.881 1.00 61.27 ? 18 ARG C O 1 ATOM 1854 C CB . ARG B 2 18 ? 5.612 -30.231 48.561 1.00 64.00 ? 18 ARG C CB 1 ATOM 1855 C CG . ARG B 2 18 ? 6.236 -29.973 47.202 1.00 65.13 ? 18 ARG C CG 1 ATOM 1856 C CD . ARG B 2 18 ? 5.191 -29.625 46.149 1.00 66.12 ? 18 ARG C CD 1 ATOM 1857 N NE . ARG B 2 18 ? 5.782 -28.785 45.111 1.00 65.51 ? 18 ARG C NE 1 ATOM 1858 C CZ . ARG B 2 18 ? 6.526 -29.224 44.098 1.00 65.95 ? 18 ARG C CZ 1 ATOM 1859 N NH1 . ARG B 2 18 ? 6.790 -30.524 43.941 1.00 66.76 ? 18 ARG C NH1 1 ATOM 1860 N NH2 . ARG B 2 18 ? 7.011 -28.346 43.223 1.00 65.63 ? 18 ARG C NH2 1 ATOM 1861 N N . VAL B 2 19 ? 7.922 -27.859 49.807 1.00 58.25 ? 19 VAL C N 1 ATOM 1862 C CA . VAL B 2 19 ? 8.214 -26.416 49.836 1.00 56.13 ? 19 VAL C CA 1 ATOM 1863 C C . VAL B 2 19 ? 8.998 -25.978 48.602 1.00 54.25 ? 19 VAL C C 1 ATOM 1864 O O . VAL B 2 19 ? 9.796 -26.742 48.071 1.00 53.56 ? 19 VAL C O 1 ATOM 1865 C CB . VAL B 2 19 ? 8.962 -25.982 51.118 1.00 55.81 ? 19 VAL C CB 1 ATOM 1866 C CG1 . VAL B 2 19 ? 8.096 -26.236 52.344 1.00 56.00 ? 19 VAL C CG1 1 ATOM 1867 C CG2 . VAL B 2 19 ? 10.316 -26.672 51.257 1.00 55.51 ? 19 VAL C CG2 1 ATOM 1868 N N . THR B 2 20 ? 8.745 -24.749 48.154 1.00 52.66 ? 20 THR C N 1 ATOM 1869 C CA . THR B 2 20 ? 9.473 -24.148 47.040 1.00 51.75 ? 20 THR C CA 1 ATOM 1870 C C . THR B 2 20 ? 9.998 -22.759 47.428 1.00 49.63 ? 20 THR C C 1 ATOM 1871 O O . THR B 2 20 ? 9.260 -21.919 47.939 1.00 48.09 ? 20 THR C O 1 ATOM 1872 C CB . THR B 2 20 ? 8.612 -24.054 45.759 1.00 53.23 ? 20 THR C CB 1 ATOM 1873 O OG1 . THR B 2 20 ? 7.398 -23.352 46.040 1.00 54.73 ? 20 THR C OG1 1 ATOM 1874 C CG2 . THR B 2 20 ? 8.261 -25.445 45.223 1.00 54.46 ? 20 THR C CG2 1 ATOM 1875 N N . LEU B 2 21 ? 11.291 -22.546 47.202 1.00 48.05 ? 21 LEU C N 1 ATOM 1876 C CA . LEU B 2 21 ? 11.924 -21.258 47.418 1.00 47.17 ? 21 LEU C CA 1 ATOM 1877 C C . LEU B 2 21 ? 12.128 -20.623 46.048 1.00 46.29 ? 21 LEU C C 1 ATOM 1878 O O . LEU B 2 21 ? 12.354 -21.343 45.080 1.00 45.43 ? 21 LEU C O 1 ATOM 1879 C CB . LEU B 2 21 ? 13.258 -21.451 48.141 1.00 47.36 ? 21 LEU C CB 1 ATOM 1880 C CG . LEU B 2 21 ? 13.302 -22.488 49.270 1.00 47.63 ? 21 LEU C CG 1 ATOM 1881 C CD1 . LEU B 2 21 ? 14.645 -22.416 49.980 1.00 47.94 ? 21 LEU C CD1 1 ATOM 1882 C CD2 . LEU B 2 21 ? 12.179 -22.273 50.268 1.00 48.09 ? 21 LEU C CD2 1 ATOM 1883 N N . THR B 2 22 ? 12.030 -19.293 45.955 1.00 45.80 ? 22 THR C N 1 ATOM 1884 C CA . THR B 2 22 ? 12.212 -18.601 44.662 1.00 46.39 ? 22 THR C CA 1 ATOM 1885 C C . THR B 2 22 ? 13.343 -17.571 44.715 1.00 44.57 ? 22 THR C C 1 ATOM 1886 O O . THR B 2 22 ? 13.549 -16.915 45.722 1.00 42.73 ? 22 THR C O 1 ATOM 1887 C CB . THR B 2 22 ? 10.893 -17.979 44.089 1.00 47.58 ? 22 THR C CB 1 ATOM 1888 O OG1 . THR B 2 22 ? 10.762 -16.609 44.487 1.00 48.22 ? 22 THR C OG1 1 ATOM 1889 C CG2 . THR B 2 22 ? 9.652 -18.772 44.528 1.00 48.17 ? 22 THR C CG2 1 ATOM 1890 N N . CYS B 2 23 ? 14.063 -17.457 43.604 1.00 44.74 ? 23 CYS C N 1 ATOM 1891 C CA . CYS B 2 23 ? 15.198 -16.556 43.463 1.00 44.91 ? 23 CYS C CA 1 ATOM 1892 C C . CYS B 2 23 ? 14.963 -15.782 42.157 1.00 45.68 ? 23 CYS C C 1 ATOM 1893 O O . CYS B 2 23 ? 14.899 -16.380 41.080 1.00 45.27 ? 23 CYS C O 1 ATOM 1894 C CB . CYS B 2 23 ? 16.497 -17.380 43.439 1.00 44.25 ? 23 CYS C CB 1 ATOM 1895 S SG . CYS B 2 23 ? 18.060 -16.459 43.408 1.00 44.29 ? 23 CYS C SG 1 ATOM 1896 N N . LYS B 2 24 ? 14.788 -14.464 42.277 1.00 46.91 ? 24 LYS C N 1 ATOM 1897 C CA . LYS B 2 24 ? 14.493 -13.573 41.149 1.00 48.21 ? 24 LYS C CA 1 ATOM 1898 C C . LYS B 2 24 ? 15.645 -12.615 40.897 1.00 46.90 ? 24 LYS C C 1 ATOM 1899 O O . LYS B 2 24 ? 16.024 -11.844 41.794 1.00 46.47 ? 24 LYS C O 1 ATOM 1900 C CB . LYS B 2 24 ? 13.218 -12.767 41.411 1.00 50.80 ? 24 LYS C CB 1 ATOM 1901 C CG . LYS B 2 24 ? 11.997 -13.655 41.612 1.00 53.58 ? 24 LYS C CG 1 ATOM 1902 C CD . LYS B 2 24 ? 10.671 -12.944 41.376 1.00 56.12 ? 24 LYS C CD 1 ATOM 1903 C CE . LYS B 2 24 ? 9.511 -13.926 41.531 1.00 57.96 ? 24 LYS C CE 1 ATOM 1904 N NZ . LYS B 2 24 ? 8.164 -13.309 41.331 1.00 59.80 ? 24 LYS C NZ 1 ATOM 1905 N N . GLY B 2 25 ? 16.180 -12.657 39.674 1.00 45.44 ? 25 GLY C N 1 ATOM 1906 C CA . GLY B 2 25 ? 17.299 -11.807 39.274 1.00 44.78 ? 25 GLY C CA 1 ATOM 1907 C C . GLY B 2 25 ? 16.854 -10.492 38.666 1.00 44.77 ? 25 GLY C C 1 ATOM 1908 O O . GLY B 2 25 ? 15.798 -10.432 38.039 1.00 44.70 ? 25 GLY C O 1 ATOM 1909 N N . SER B 2 26 ? 17.664 -9.449 38.859 1.00 44.33 ? 26 SER C N 1 ATOM 1910 C CA . SER B 2 26 ? 17.432 -8.120 38.273 1.00 45.84 ? 26 SER C CA 1 ATOM 1911 C C . SER B 2 26 ? 17.743 -8.047 36.760 1.00 47.19 ? 26 SER C C 1 ATOM 1912 O O . SER B 2 26 ? 17.254 -7.154 36.053 1.00 46.71 ? 26 SER C O 1 ATOM 1913 C CB . SER B 2 26 ? 18.282 -7.079 39.008 1.00 45.94 ? 26 SER C CB 1 ATOM 1914 O OG . SER B 2 26 ? 19.669 -7.288 38.769 1.00 45.55 ? 26 SER C OG 1 ATOM 1915 N N . GLN B 2 27 ? 18.599 -8.968 36.304 1.00 48.02 ? 27 GLN C N 1 ATOM 1916 C CA . GLN B 2 27 ? 18.944 -9.171 34.890 1.00 49.07 ? 27 GLN C CA 1 ATOM 1917 C C . GLN B 2 27 ? 18.944 -10.670 34.584 1.00 48.46 ? 27 GLN C C 1 ATOM 1918 O O . GLN B 2 27 ? 18.763 -11.507 35.473 1.00 46.81 ? 27 GLN C O 1 ATOM 1919 C CB . GLN B 2 27 ? 20.334 -8.616 34.582 1.00 49.64 ? 27 GLN C CB 1 ATOM 1920 C CG . GLN B 2 27 ? 20.505 -7.142 34.861 1.00 51.52 ? 27 GLN C CG 1 ATOM 1921 C CD . GLN B 2 27 ? 21.744 -6.585 34.196 1.00 53.28 ? 27 GLN C CD 1 ATOM 1922 O OE1 . GLN B 2 27 ? 22.753 -7.282 34.063 1.00 53.53 ? 27 GLN C OE1 1 ATOM 1923 N NE2 . GLN B 2 27 ? 21.672 -5.326 33.754 1.00 55.56 ? 27 GLN C NE2 1 ATOM 1924 N N . ASN B 2 28 ? 19.165 -11.001 33.321 1.00 49.57 ? 28 ASN C N 1 ATOM 1925 C CA . ASN B 2 28 ? 19.194 -12.390 32.898 1.00 49.71 ? 28 ASN C CA 1 ATOM 1926 C C . ASN B 2 28 ? 20.408 -13.146 33.464 1.00 47.91 ? 28 ASN C C 1 ATOM 1927 O O . ASN B 2 28 ? 21.539 -12.660 33.405 1.00 47.44 ? 28 ASN C O 1 ATOM 1928 C CB . ASN B 2 28 ? 19.182 -12.479 31.378 1.00 51.93 ? 28 ASN C CB 1 ATOM 1929 C CG . ASN B 2 28 ? 18.412 -13.667 30.899 1.00 53.73 ? 28 ASN C CG 1 ATOM 1930 O OD1 . ASN B 2 28 ? 17.182 -13.591 30.737 1.00 55.86 ? 28 ASN C OD1 1 ATOM 1931 N ND2 . ASN B 2 28 ? 19.111 -14.792 30.701 1.00 53.50 ? 28 ASN C ND2 1 ATOM 1932 N N . ILE B 2 29 ? 20.149 -14.328 34.017 1.00 46.61 ? 29 ILE C N 1 ATOM 1933 C CA . ILE B 2 29 ? 21.169 -15.154 34.663 1.00 45.04 ? 29 ILE C CA 1 ATOM 1934 C C . ILE B 2 29 ? 21.600 -16.326 33.766 1.00 44.55 ? 29 ILE C C 1 ATOM 1935 O O . ILE B 2 29 ? 22.716 -16.829 33.916 1.00 44.29 ? 29 ILE C O 1 ATOM 1936 C CB . ILE B 2 29 ? 20.677 -15.631 36.053 1.00 44.49 ? 29 ILE C CB 1 ATOM 1937 C CG1 . ILE B 2 29 ? 20.611 -14.440 37.016 1.00 44.06 ? 29 ILE C CG1 1 ATOM 1938 C CG2 . ILE B 2 29 ? 21.590 -16.702 36.653 1.00 44.42 ? 29 ILE C CG2 1 ATOM 1939 C CD1 . ILE B 2 29 ? 19.694 -14.658 38.201 1.00 43.68 ? 29 ILE C CD1 1 ATOM 1940 N N . ASP B 2 30 ? 20.731 -16.761 32.850 1.00 44.43 ? 30 ASP C N 1 ATOM 1941 C CA . ASP B 2 30 ? 21.083 -17.771 31.835 1.00 44.66 ? 30 ASP C CA 1 ATOM 1942 C C . ASP B 2 30 ? 21.544 -19.112 32.458 1.00 42.62 ? 30 ASP C C 1 ATOM 1943 O O . ASP B 2 30 ? 22.472 -19.774 31.973 1.00 41.91 ? 30 ASP C O 1 ATOM 1944 C CB . ASP B 2 30 ? 22.132 -17.191 30.859 1.00 45.87 ? 30 ASP C CB 1 ATOM 1945 C CG . ASP B 2 30 ? 22.163 -17.914 29.509 1.00 47.84 ? 30 ASP C CG 1 ATOM 1946 O OD1 . ASP B 2 30 ? 21.079 -18.255 28.953 1.00 49.05 ? 30 ASP C OD1 1 ATOM 1947 O OD2 . ASP B 2 30 ? 23.289 -18.133 28.997 1.00 49.06 ? 30 ASP C OD2 1 ATOM 1948 N N . ASN B 2 31 ? 20.884 -19.465 33.561 1.00 40.83 ? 31 ASN C N 1 ATOM 1949 C CA . ASN B 2 31 ? 21.030 -20.739 34.263 1.00 39.43 ? 31 ASN C CA 1 ATOM 1950 C C . ASN B 2 31 ? 22.269 -20.942 35.159 1.00 38.20 ? 31 ASN C C 1 ATOM 1951 O O . ASN B 2 31 ? 22.391 -21.994 35.785 1.00 37.11 ? 31 ASN C O 1 ATOM 1952 C CB . ASN B 2 31 ? 20.817 -21.931 33.306 1.00 39.69 ? 31 ASN C CB 1 ATOM 1953 C CG . ASN B 2 31 ? 19.428 -21.932 32.694 1.00 40.23 ? 31 ASN C CG 1 ATOM 1954 O OD1 . ASN B 2 31 ? 19.169 -21.249 31.713 1.00 41.37 ? 31 ASN C OD1 1 ATOM 1955 N ND2 . ASN B 2 31 ? 18.521 -22.674 33.293 1.00 40.40 ? 31 ASN C ND2 1 ATOM 1956 N N . TYR B 2 32 ? 23.153 -19.948 35.265 1.00 37.67 ? 32 TYR C N 1 ATOM 1957 C CA . TYR B 2 32 ? 24.332 -20.061 36.136 1.00 37.34 ? 32 TYR C CA 1 ATOM 1958 C C . TYR B 2 32 ? 23.961 -19.575 37.538 1.00 36.41 ? 32 TYR C C 1 ATOM 1959 O O . TYR B 2 32 ? 24.386 -18.516 37.995 1.00 35.26 ? 32 TYR C O 1 ATOM 1960 C CB . TYR B 2 32 ? 25.529 -19.277 35.582 1.00 38.14 ? 32 TYR C CB 1 ATOM 1961 C CG . TYR B 2 32 ? 25.970 -19.683 34.194 1.00 38.60 ? 32 TYR C CG 1 ATOM 1962 C CD1 . TYR B 2 32 ? 26.927 -20.680 34.009 1.00 38.99 ? 32 TYR C CD1 1 ATOM 1963 C CD2 . TYR B 2 32 ? 25.432 -19.073 33.067 1.00 39.10 ? 32 TYR C CD2 1 ATOM 1964 C CE1 . TYR B 2 32 ? 27.335 -21.056 32.740 1.00 39.83 ? 32 TYR C CE1 1 ATOM 1965 C CE2 . TYR B 2 32 ? 25.831 -19.448 31.792 1.00 39.83 ? 32 TYR C CE2 1 ATOM 1966 C CZ . TYR B 2 32 ? 26.778 -20.439 31.637 1.00 39.93 ? 32 TYR C CZ 1 ATOM 1967 O OH . TYR B 2 32 ? 27.176 -20.822 30.387 1.00 41.41 ? 32 TYR C OH 1 ATOM 1968 N N . LEU B 2 33 ? 23.156 -20.399 38.199 1.00 36.43 ? 33 LEU C N 1 ATOM 1969 C CA . LEU B 2 33 ? 22.622 -20.139 39.507 1.00 36.11 ? 33 LEU C CA 1 ATOM 1970 C C . LEU B 2 33 ? 22.786 -21.384 40.354 1.00 36.13 ? 33 LEU C C 1 ATOM 1971 O O . LEU B 2 33 ? 22.421 -22.482 39.931 1.00 36.53 ? 33 LEU C O 1 ATOM 1972 C CB . LEU B 2 33 ? 21.140 -19.829 39.420 1.00 36.52 ? 33 LEU C CB 1 ATOM 1973 C CG . LEU B 2 33 ? 20.596 -19.451 40.798 1.00 36.47 ? 33 LEU C CG 1 ATOM 1974 C CD1 . LEU B 2 33 ? 20.795 -17.962 41.070 1.00 36.27 ? 33 LEU C CD1 1 ATOM 1975 C CD2 . LEU B 2 33 ? 19.144 -19.847 40.920 1.00 37.24 ? 33 LEU C CD2 1 ATOM 1976 N N . ALA B 2 34 ? 23.289 -21.193 41.567 1.00 35.64 ? 34 ALA C N 1 ATOM 1977 C CA . ALA B 2 34 ? 23.549 -22.283 42.482 1.00 35.51 ? 34 ALA C CA 1 ATOM 1978 C C . ALA B 2 34 ? 22.710 -22.092 43.740 1.00 34.93 ? 34 ALA C C 1 ATOM 1979 O O . ALA B 2 34 ? 22.261 -20.986 44.015 1.00 34.44 ? 34 ALA C O 1 ATOM 1980 C CB . ALA B 2 34 ? 25.037 -22.307 42.815 1.00 35.69 ? 34 ALA C CB 1 ATOM 1981 N N . TRP B 2 35 ? 22.502 -23.171 44.489 1.00 34.99 ? 35 TRP C N 1 ATOM 1982 C CA . TRP B 2 35 ? 21.800 -23.119 45.783 1.00 35.32 ? 35 TRP C CA 1 ATOM 1983 C C . TRP B 2 35 ? 22.600 -23.862 46.859 1.00 35.63 ? 35 TRP C C 1 ATOM 1984 O O . TRP B 2 35 ? 22.987 -25.031 46.657 1.00 35.24 ? 35 TRP C O 1 ATOM 1985 C CB . TRP B 2 35 ? 20.423 -23.775 45.704 1.00 35.52 ? 35 TRP C CB 1 ATOM 1986 C CG . TRP B 2 35 ? 19.366 -23.097 44.888 1.00 35.57 ? 35 TRP C CG 1 ATOM 1987 C CD1 . TRP B 2 35 ? 19.097 -23.314 43.582 1.00 36.08 ? 35 TRP C CD1 1 ATOM 1988 C CD2 . TRP B 2 35 ? 18.382 -22.163 45.353 1.00 35.66 ? 35 TRP C CD2 1 ATOM 1989 N NE1 . TRP B 2 35 ? 18.020 -22.561 43.186 1.00 36.40 ? 35 TRP C NE1 1 ATOM 1990 C CE2 . TRP B 2 35 ? 17.560 -21.844 44.255 1.00 36.06 ? 35 TRP C CE2 1 ATOM 1991 C CE3 . TRP B 2 35 ? 18.115 -21.563 46.594 1.00 35.72 ? 35 TRP C CE3 1 ATOM 1992 C CZ2 . TRP B 2 35 ? 16.487 -20.943 44.349 1.00 36.25 ? 35 TRP C CZ2 1 ATOM 1993 C CZ3 . TRP B 2 35 ? 17.047 -20.665 46.691 1.00 35.91 ? 35 TRP C CZ3 1 ATOM 1994 C CH2 . TRP B 2 35 ? 16.246 -20.364 45.569 1.00 35.91 ? 35 TRP C CH2 1 ATOM 1995 N N . TYR B 2 36 ? 22.823 -23.198 48.001 1.00 35.71 ? 36 TYR C N 1 ATOM 1996 C CA . TYR B 2 36 ? 23.473 -23.833 49.141 1.00 36.36 ? 36 TYR C CA 1 ATOM 1997 C C . TYR B 2 36 ? 22.730 -23.677 50.462 1.00 37.29 ? 36 TYR C C 1 ATOM 1998 O O . TYR B 2 36 ? 21.992 -22.712 50.691 1.00 36.33 ? 36 TYR C O 1 ATOM 1999 C CB . TYR B 2 36 ? 24.939 -23.401 49.276 1.00 36.20 ? 36 TYR C CB 1 ATOM 2000 C CG . TYR B 2 36 ? 25.201 -21.995 49.756 1.00 35.37 ? 36 TYR C CG 1 ATOM 2001 C CD1 . TYR B 2 36 ? 25.277 -21.701 51.120 1.00 35.12 ? 36 TYR C CD1 1 ATOM 2002 C CD2 . TYR B 2 36 ? 25.423 -20.968 48.848 1.00 35.05 ? 36 TYR C CD2 1 ATOM 2003 C CE1 . TYR B 2 36 ? 25.537 -20.414 51.565 1.00 34.88 ? 36 TYR C CE1 1 ATOM 2004 C CE2 . TYR B 2 36 ? 25.684 -19.677 49.277 1.00 35.22 ? 36 TYR C CE2 1 ATOM 2005 C CZ . TYR B 2 36 ? 25.742 -19.402 50.636 1.00 34.95 ? 36 TYR C CZ 1 ATOM 2006 O OH . TYR B 2 36 ? 26.011 -18.115 51.043 1.00 34.60 ? 36 TYR C OH 1 ATOM 2007 N N . GLN B 2 37 ? 22.969 -24.660 51.326 1.00 39.45 ? 37 GLN C N 1 ATOM 2008 C CA . GLN B 2 37 ? 22.323 -24.782 52.628 1.00 40.72 ? 37 GLN C CA 1 ATOM 2009 C C . GLN B 2 37 ? 23.350 -24.417 53.696 1.00 41.57 ? 37 GLN C C 1 ATOM 2010 O O . GLN B 2 37 ? 24.529 -24.735 53.564 1.00 41.60 ? 37 GLN C O 1 ATOM 2011 C CB . GLN B 2 37 ? 21.785 -26.215 52.792 1.00 41.48 ? 37 GLN C CB 1 ATOM 2012 C CG . GLN B 2 37 ? 21.727 -26.781 54.198 1.00 42.11 ? 37 GLN C CG 1 ATOM 2013 C CD . GLN B 2 37 ? 21.234 -28.206 54.202 1.00 43.26 ? 37 GLN C CD 1 ATOM 2014 O OE1 . GLN B 2 37 ? 22.023 -29.144 54.335 1.00 44.75 ? 37 GLN C OE1 1 ATOM 2015 N NE2 . GLN B 2 37 ? 19.924 -28.383 54.048 1.00 43.16 ? 37 GLN C NE2 1 ATOM 2016 N N . GLN B 2 38 ? 22.893 -23.745 54.743 1.00 43.44 ? 38 GLN C N 1 ATOM 2017 C CA . GLN B 2 38 ? 23.749 -23.354 55.858 1.00 45.48 ? 38 GLN C CA 1 ATOM 2018 C C . GLN B 2 38 ? 23.027 -23.515 57.183 1.00 45.83 ? 38 GLN C C 1 ATOM 2019 O O . GLN B 2 38 ? 22.150 -22.727 57.516 1.00 45.23 ? 38 GLN C O 1 ATOM 2020 C CB . GLN B 2 38 ? 24.205 -21.905 55.701 1.00 46.13 ? 38 GLN C CB 1 ATOM 2021 C CG . GLN B 2 38 ? 25.196 -21.463 56.764 1.00 47.11 ? 38 GLN C CG 1 ATOM 2022 C CD . GLN B 2 38 ? 25.801 -20.118 56.455 1.00 48.16 ? 38 GLN C CD 1 ATOM 2023 O OE1 . GLN B 2 38 ? 25.205 -19.299 55.745 1.00 49.40 ? 38 GLN C OE1 1 ATOM 2024 N NE2 . GLN B 2 38 ? 26.992 -19.877 56.988 1.00 48.92 ? 38 GLN C NE2 1 ATOM 2025 N N . LYS B 2 39 ? 23.416 -24.546 57.923 1.00 48.23 ? 39 LYS C N 1 ATOM 2026 C CA . LYS B 2 39 ? 22.979 -24.763 59.301 1.00 49.72 ? 39 LYS C CA 1 ATOM 2027 C C . LYS B 2 39 ? 23.972 -24.042 60.214 1.00 50.75 ? 39 LYS C C 1 ATOM 2028 O O . LYS B 2 39 ? 25.112 -23.788 59.809 1.00 50.48 ? 39 LYS C O 1 ATOM 2029 C CB . LYS B 2 39 ? 22.945 -26.258 59.611 1.00 50.53 ? 39 LYS C CB 1 ATOM 2030 C CG . LYS B 2 39 ? 22.137 -27.074 58.619 1.00 50.97 ? 39 LYS C CG 1 ATOM 2031 C CD . LYS B 2 39 ? 22.049 -28.523 59.049 1.00 52.72 ? 39 LYS C CD 1 ATOM 2032 C CE . LYS B 2 39 ? 21.599 -29.402 57.898 1.00 54.15 ? 39 LYS C CE 1 ATOM 2033 N NZ . LYS B 2 39 ? 21.218 -30.759 58.376 1.00 56.12 ? 39 LYS C NZ 1 ATOM 2034 N N . LEU B 2 40 ? 23.553 -23.721 61.439 1.00 52.60 ? 40 LEU C N 1 ATOM 2035 C CA . LEU B 2 40 ? 24.393 -22.909 62.333 1.00 54.49 ? 40 LEU C CA 1 ATOM 2036 C C . LEU B 2 40 ? 25.572 -23.711 62.894 1.00 55.23 ? 40 LEU C C 1 ATOM 2037 O O . LEU B 2 40 ? 25.432 -24.885 63.252 1.00 55.58 ? 40 LEU C O 1 ATOM 2038 C CB . LEU B 2 40 ? 23.580 -22.278 63.472 1.00 55.90 ? 40 LEU C CB 1 ATOM 2039 C CG . LEU B 2 40 ? 24.115 -20.882 63.836 1.00 56.90 ? 40 LEU C CG 1 ATOM 2040 C CD1 . LEU B 2 40 ? 23.567 -19.827 62.872 1.00 56.84 ? 40 LEU C CD1 1 ATOM 2041 C CD2 . LEU B 2 40 ? 23.811 -20.502 65.277 1.00 56.68 ? 40 LEU C CD2 1 ATOM 2042 N N . GLY B 2 41 ? 26.739 -23.073 62.929 1.00 55.50 ? 41 GLY C N 1 ATOM 2043 C CA . GLY B 2 41 ? 27.980 -23.731 63.313 1.00 57.09 ? 41 GLY C CA 1 ATOM 2044 C C . GLY B 2 41 ? 28.632 -24.635 62.270 1.00 58.49 ? 41 GLY C C 1 ATOM 2045 O O . GLY B 2 41 ? 29.780 -25.055 62.472 1.00 61.09 ? 41 GLY C O 1 ATOM 2046 N N . GLU B 2 42 ? 27.939 -24.932 61.161 1.00 57.00 ? 42 GLU C N 1 ATOM 2047 C CA . GLU B 2 42 ? 28.423 -25.896 60.162 1.00 57.01 ? 42 GLU C CA 1 ATOM 2048 C C . GLU B 2 42 ? 28.839 -25.201 58.857 1.00 53.73 ? 42 GLU C C 1 ATOM 2049 O O . GLU B 2 42 ? 28.337 -24.115 58.540 1.00 53.91 ? 42 GLU C O 1 ATOM 2050 C CB . GLU B 2 42 ? 27.348 -26.956 59.894 1.00 58.86 ? 42 GLU C CB 1 ATOM 2051 C CG . GLU B 2 42 ? 27.025 -27.820 61.115 1.00 61.35 ? 42 GLU C CG 1 ATOM 2052 C CD . GLU B 2 42 ? 25.966 -28.895 60.857 1.00 63.21 ? 42 GLU C CD 1 ATOM 2053 O OE1 . GLU B 2 42 ? 25.622 -29.158 59.680 1.00 63.63 ? 42 GLU C OE1 1 ATOM 2054 O OE2 . GLU B 2 42 ? 25.474 -29.493 61.847 1.00 64.31 ? 42 GLU C OE2 1 ATOM 2055 N N . ALA B 2 43 ? 29.762 -25.821 58.116 1.00 50.53 ? 43 ALA C N 1 ATOM 2056 C CA . ALA B 2 43 ? 30.196 -25.296 56.808 1.00 47.91 ? 43 ALA C CA 1 ATOM 2057 C C . ALA B 2 43 ? 29.033 -25.326 55.801 1.00 44.81 ? 43 ALA C C 1 ATOM 2058 O O . ALA B 2 43 ? 28.311 -26.320 55.736 1.00 44.34 ? 43 ALA C O 1 ATOM 2059 C CB . ALA B 2 43 ? 31.377 -26.089 56.261 1.00 47.89 ? 43 ALA C CB 1 ATOM 2060 N N . PRO B 2 44 ? 28.840 -24.239 55.030 1.00 42.34 ? 44 PRO C N 1 ATOM 2061 C CA . PRO B 2 44 ? 27.788 -24.244 54.006 1.00 41.48 ? 44 PRO C CA 1 ATOM 2062 C C . PRO B 2 44 ? 27.958 -25.387 53.010 1.00 41.15 ? 44 PRO C C 1 ATOM 2063 O O . PRO B 2 44 ? 29.092 -25.747 52.685 1.00 41.24 ? 44 PRO C O 1 ATOM 2064 C CB . PRO B 2 44 ? 27.951 -22.896 53.299 1.00 41.18 ? 44 PRO C CB 1 ATOM 2065 C CG . PRO B 2 44 ? 28.731 -22.037 54.225 1.00 41.76 ? 44 PRO C CG 1 ATOM 2066 C CD . PRO B 2 44 ? 29.526 -22.938 55.121 1.00 42.36 ? 44 PRO C CD 1 ATOM 2067 N N . LYS B 2 45 ? 26.843 -25.955 52.553 1.00 40.80 ? 45 LYS C N 1 ATOM 2068 C CA . LYS B 2 45 ? 26.867 -27.129 51.675 1.00 41.82 ? 45 LYS C CA 1 ATOM 2069 C C . LYS B 2 45 ? 26.124 -26.861 50.354 1.00 40.76 ? 45 LYS C C 1 ATOM 2070 O O . LYS B 2 45 ? 24.934 -26.533 50.359 1.00 40.54 ? 45 LYS C O 1 ATOM 2071 C CB . LYS B 2 45 ? 26.264 -28.335 52.394 1.00 43.55 ? 45 LYS C CB 1 ATOM 2072 C CG . LYS B 2 45 ? 26.706 -29.685 51.833 1.00 45.75 ? 45 LYS C CG 1 ATOM 2073 C CD . LYS B 2 45 ? 25.700 -30.803 52.114 1.00 47.19 ? 45 LYS C CD 1 ATOM 2074 C CE . LYS B 2 45 ? 25.577 -31.145 53.594 1.00 47.87 ? 45 LYS C CE 1 ATOM 2075 N NZ . LYS B 2 45 ? 24.320 -31.911 53.844 1.00 49.16 ? 45 LYS C NZ 1 ATOM 2076 N N . LEU B 2 46 ? 26.834 -26.991 49.231 1.00 40.03 ? 46 LEU C N 1 ATOM 2077 C CA . LEU B 2 46 ? 26.239 -26.799 47.909 1.00 39.06 ? 46 LEU C CA 1 ATOM 2078 C C . LEU B 2 46 ? 25.273 -27.936 47.657 1.00 38.96 ? 46 LEU C C 1 ATOM 2079 O O . LEU B 2 46 ? 25.616 -29.102 47.859 1.00 40.37 ? 46 LEU C O 1 ATOM 2080 C CB . LEU B 2 46 ? 27.309 -26.765 46.802 1.00 39.17 ? 46 LEU C CB 1 ATOM 2081 C CG . LEU B 2 46 ? 26.820 -26.463 45.371 1.00 39.13 ? 46 LEU C CG 1 ATOM 2082 C CD1 . LEU B 2 46 ? 26.452 -24.995 45.213 1.00 38.55 ? 46 LEU C CD1 1 ATOM 2083 C CD2 . LEU B 2 46 ? 27.840 -26.868 44.316 1.00 39.52 ? 46 LEU C CD2 1 ATOM 2084 N N . LEU B 2 47 ? 24.061 -27.580 47.246 1.00 37.90 ? 47 LEU C N 1 ATOM 2085 C CA . LEU B 2 47 ? 23.020 -28.540 46.928 1.00 37.74 ? 47 LEU C CA 1 ATOM 2086 C C . LEU B 2 47 ? 22.859 -28.662 45.418 1.00 37.68 ? 47 LEU C C 1 ATOM 2087 O O . LEU B 2 47 ? 22.766 -29.769 44.883 1.00 37.76 ? 47 LEU C O 1 ATOM 2088 C CB . LEU B 2 47 ? 21.698 -28.083 47.537 1.00 37.46 ? 47 LEU C CB 1 ATOM 2089 C CG . LEU B 2 47 ? 21.707 -27.727 49.024 1.00 36.86 ? 47 LEU C CG 1 ATOM 2090 C CD1 . LEU B 2 47 ? 20.505 -26.863 49.395 1.00 36.31 ? 47 LEU C CD1 1 ATOM 2091 C CD2 . LEU B 2 47 ? 21.763 -28.996 49.853 1.00 37.63 ? 47 LEU C CD2 1 ATOM 2092 N N . ILE B 2 48 ? 22.800 -27.512 44.743 1.00 37.07 ? 48 ILE C N 1 ATOM 2093 C CA . ILE B 2 48 ? 22.518 -27.448 43.319 1.00 37.06 ? 48 ILE C CA 1 ATOM 2094 C C . ILE B 2 48 ? 23.377 -26.405 42.621 1.00 36.16 ? 48 ILE C C 1 ATOM 2095 O O . ILE B 2 48 ? 23.566 -25.312 43.132 1.00 35.41 ? 48 ILE C O 1 ATOM 2096 C CB . ILE B 2 48 ? 21.006 -27.201 43.078 1.00 37.86 ? 48 ILE C CB 1 ATOM 2097 C CG1 . ILE B 2 48 ? 20.233 -28.474 43.499 1.00 38.77 ? 48 ILE C CG1 1 ATOM 2098 C CG2 . ILE B 2 48 ? 20.731 -26.782 41.625 1.00 38.37 ? 48 ILE C CG2 1 ATOM 2099 C CD1 . ILE B 2 48 ? 18.868 -28.677 42.892 1.00 39.42 ? 48 ILE C CD1 1 ATOM 2100 N N . TYR B 2 49 ? 23.898 -26.775 41.454 1.00 36.18 ? 49 TYR C N 1 ATOM 2101 C CA . TYR B 2 49 ? 24.606 -25.857 40.562 1.00 35.93 ? 49 TYR C CA 1 ATOM 2102 C C . TYR B 2 49 ? 23.997 -25.933 39.177 1.00 36.05 ? 49 TYR C C 1 ATOM 2103 O O . TYR B 2 49 ? 23.332 -26.912 38.830 1.00 36.47 ? 49 TYR C O 1 ATOM 2104 C CB . TYR B 2 49 ? 26.110 -26.178 40.490 1.00 35.99 ? 49 TYR C CB 1 ATOM 2105 C CG . TYR B 2 49 ? 26.455 -27.531 39.899 1.00 36.34 ? 49 TYR C CG 1 ATOM 2106 C CD1 . TYR B 2 49 ? 26.479 -28.673 40.693 1.00 36.65 ? 49 TYR C CD1 1 ATOM 2107 C CD2 . TYR B 2 49 ? 26.761 -27.664 38.547 1.00 36.73 ? 49 TYR C CD2 1 ATOM 2108 C CE1 . TYR B 2 49 ? 26.800 -29.909 40.155 1.00 37.47 ? 49 TYR C CE1 1 ATOM 2109 C CE2 . TYR B 2 49 ? 27.077 -28.898 37.994 1.00 37.25 ? 49 TYR C CE2 1 ATOM 2110 C CZ . TYR B 2 49 ? 27.096 -30.015 38.799 1.00 37.71 ? 49 TYR C CZ 1 ATOM 2111 O OH . TYR B 2 49 ? 27.419 -31.235 38.259 1.00 38.40 ? 49 TYR C OH 1 ATOM 2112 N N . LYS B 2 50 ? 24.241 -24.888 38.399 1.00 35.80 ? 50 LYS C N 1 ATOM 2113 C CA . LYS B 2 50 ? 23.686 -24.747 37.059 1.00 36.56 ? 50 LYS C CA 1 ATOM 2114 C C . LYS B 2 50 ? 22.182 -25.008 37.019 1.00 36.73 ? 50 LYS C C 1 ATOM 2115 O O . LYS B 2 50 ? 21.707 -25.848 36.277 1.00 37.36 ? 50 LYS C O 1 ATOM 2116 C CB . LYS B 2 50 ? 24.449 -25.634 36.067 1.00 37.14 ? 50 LYS C CB 1 ATOM 2117 C CG . LYS B 2 50 ? 24.269 -25.232 34.614 1.00 37.72 ? 50 LYS C CG 1 ATOM 2118 C CD . LYS B 2 50 ? 25.033 -23.961 34.257 1.00 37.88 ? 50 LYS C CD 1 ATOM 2119 C CE . LYS B 2 50 ? 24.490 -23.350 32.970 1.00 38.61 ? 50 LYS C CE 1 ATOM 2120 N NZ . LYS B 2 50 ? 24.651 -24.263 31.798 1.00 39.41 ? 50 LYS C NZ 1 ATOM 2121 N N . THR B 2 51 ? 21.452 -24.292 37.866 1.00 37.02 ? 51 THR C N 1 ATOM 2122 C CA . THR B 2 51 ? 19.987 -24.355 37.969 1.00 37.51 ? 51 THR C CA 1 ATOM 2123 C C . THR B 2 51 ? 19.416 -25.671 38.488 1.00 37.95 ? 51 THR C C 1 ATOM 2124 O O . THR B 2 51 ? 18.551 -25.630 39.368 1.00 37.69 ? 51 THR C O 1 ATOM 2125 C CB . THR B 2 51 ? 19.273 -24.009 36.639 1.00 38.32 ? 51 THR C CB 1 ATOM 2126 O OG1 . THR B 2 51 ? 19.677 -22.712 36.219 1.00 38.01 ? 51 THR C OG1 1 ATOM 2127 C CG2 . THR B 2 51 ? 17.734 -24.021 36.807 1.00 38.84 ? 51 THR C CG2 1 ATOM 2128 N N . ASN B 2 52 ? 19.836 -26.811 37.916 1.00 38.08 ? 52 ASN C N 1 ATOM 2129 C CA . ASN B 2 52 ? 19.202 -28.098 38.216 1.00 38.54 ? 52 ASN C CA 1 ATOM 2130 C C . ASN B 2 52 ? 20.111 -29.330 38.306 1.00 38.60 ? 52 ASN C C 1 ATOM 2131 O O . ASN B 2 52 ? 19.606 -30.452 38.347 1.00 39.00 ? 52 ASN C O 1 ATOM 2132 C CB . ASN B 2 52 ? 18.078 -28.345 37.205 1.00 39.33 ? 52 ASN C CB 1 ATOM 2133 C CG . ASN B 2 52 ? 18.586 -28.571 35.794 1.00 40.05 ? 52 ASN C CG 1 ATOM 2134 O OD1 . ASN B 2 52 ? 19.786 -28.569 35.533 1.00 40.29 ? 52 ASN C OD1 1 ATOM 2135 N ND2 . ASN B 2 52 ? 17.663 -28.764 34.869 1.00 41.14 ? 52 ASN C ND2 1 ATOM 2136 N N . SER B 2 53 ? 21.426 -29.148 38.369 1.00 38.35 ? 53 SER C N 1 ATOM 2137 C CA . SER B 2 53 ? 22.318 -30.290 38.555 1.00 39.23 ? 53 SER C CA 1 ATOM 2138 C C . SER B 2 53 ? 22.469 -30.527 40.049 1.00 39.52 ? 53 SER C C 1 ATOM 2139 O O . SER B 2 53 ? 22.877 -29.636 40.781 1.00 38.48 ? 53 SER C O 1 ATOM 2140 C CB . SER B 2 53 ? 23.679 -30.063 37.897 1.00 38.72 ? 53 SER C CB 1 ATOM 2141 O OG . SER B 2 53 ? 23.522 -29.805 36.518 1.00 38.71 ? 53 SER C OG 1 ATOM 2142 N N . LEU B 2 54 ? 22.131 -31.727 40.495 1.00 41.55 ? 54 LEU C N 1 ATOM 2143 C CA . LEU B 2 54 ? 22.242 -32.081 41.896 1.00 43.21 ? 54 LEU C CA 1 ATOM 2144 C C . LEU B 2 54 ? 23.692 -32.395 42.218 1.00 44.50 ? 54 LEU C C 1 ATOM 2145 O O . LEU B 2 54 ? 24.289 -33.253 41.575 1.00 44.99 ? 54 LEU C O 1 ATOM 2146 C CB . LEU B 2 54 ? 21.368 -33.290 42.197 1.00 44.74 ? 54 LEU C CB 1 ATOM 2147 C CG . LEU B 2 54 ? 21.077 -33.617 43.662 1.00 45.19 ? 54 LEU C CG 1 ATOM 2148 C CD1 . LEU B 2 54 ? 20.107 -32.609 44.257 1.00 44.75 ? 54 LEU C CD1 1 ATOM 2149 C CD2 . LEU B 2 54 ? 20.511 -35.030 43.772 1.00 46.44 ? 54 LEU C CD2 1 ATOM 2150 N N . GLN B 2 55 ? 24.252 -31.687 43.202 1.00 45.67 ? 55 GLN C N 1 ATOM 2151 C CA . GLN B 2 55 ? 25.587 -31.982 43.739 1.00 47.36 ? 55 GLN C CA 1 ATOM 2152 C C . GLN B 2 55 ? 25.598 -33.404 44.311 1.00 49.75 ? 55 GLN C C 1 ATOM 2153 O O . GLN B 2 55 ? 24.583 -33.876 44.827 1.00 49.35 ? 55 GLN C O 1 ATOM 2154 C CB . GLN B 2 55 ? 25.958 -30.943 44.814 1.00 47.42 ? 55 GLN C CB 1 ATOM 2155 C CG . GLN B 2 55 ? 27.278 -31.146 45.567 1.00 48.10 ? 55 GLN C CG 1 ATOM 2156 C CD . GLN B 2 55 ? 28.524 -30.843 44.745 1.00 48.71 ? 55 GLN C CD 1 ATOM 2157 O OE1 . GLN B 2 55 ? 28.459 -30.588 43.535 1.00 48.76 ? 55 GLN C OE1 1 ATOM 2158 N NE2 . GLN B 2 55 ? 29.679 -30.873 45.412 1.00 49.16 ? 55 GLN C NE2 1 ATOM 2159 N N . THR B 2 56 ? 26.739 -34.082 44.199 1.00 52.70 ? 56 THR C N 1 ATOM 2160 C CA . THR B 2 56 ? 26.843 -35.497 44.578 1.00 56.18 ? 56 THR C CA 1 ATOM 2161 C C . THR B 2 56 ? 26.830 -35.659 46.099 1.00 57.18 ? 56 THR C C 1 ATOM 2162 O O . THR B 2 56 ? 27.514 -34.926 46.808 1.00 56.91 ? 56 THR C O 1 ATOM 2163 C CB . THR B 2 56 ? 28.120 -36.151 44.016 1.00 57.96 ? 56 THR C CB 1 ATOM 2164 O OG1 . THR B 2 56 ? 29.266 -35.428 44.471 1.00 57.98 ? 56 THR C OG1 1 ATOM 2165 C CG2 . THR B 2 56 ? 28.105 -36.159 42.471 1.00 58.89 ? 56 THR C CG2 1 ATOM 2166 N N . GLY B 2 57 ? 26.055 -36.631 46.579 1.00 58.88 ? 57 GLY C N 1 ATOM 2167 C CA . GLY B 2 57 ? 25.854 -36.854 48.013 1.00 58.98 ? 57 GLY C CA 1 ATOM 2168 C C . GLY B 2 57 ? 24.713 -36.046 48.605 1.00 58.02 ? 57 GLY C C 1 ATOM 2169 O O . GLY B 2 57 ? 24.582 -35.982 49.828 1.00 58.07 ? 57 GLY C O 1 ATOM 2170 N N . ILE B 2 58 ? 23.893 -35.437 47.742 1.00 56.59 ? 58 ILE C N 1 ATOM 2171 C CA . ILE B 2 58 ? 22.741 -34.638 48.160 1.00 55.01 ? 58 ILE C CA 1 ATOM 2172 C C . ILE B 2 58 ? 21.495 -35.489 47.929 1.00 55.12 ? 58 ILE C C 1 ATOM 2173 O O . ILE B 2 58 ? 21.412 -36.178 46.910 1.00 54.14 ? 58 ILE C O 1 ATOM 2174 C CB . ILE B 2 58 ? 22.664 -33.309 47.364 1.00 53.81 ? 58 ILE C CB 1 ATOM 2175 C CG1 . ILE B 2 58 ? 23.920 -32.456 47.609 1.00 52.76 ? 58 ILE C CG1 1 ATOM 2176 C CG2 . ILE B 2 58 ? 21.412 -32.501 47.695 1.00 53.47 ? 58 ILE C CG2 1 ATOM 2177 C CD1 . ILE B 2 58 ? 24.212 -32.106 49.051 1.00 52.50 ? 58 ILE C CD1 1 ATOM 2178 N N . PRO B 2 59 ? 20.521 -35.446 48.872 1.00 55.25 ? 59 PRO C N 1 ATOM 2179 C CA . PRO B 2 59 ? 19.340 -36.291 48.690 1.00 56.05 ? 59 PRO C CA 1 ATOM 2180 C C . PRO B 2 59 ? 18.455 -35.870 47.516 1.00 55.89 ? 59 PRO C C 1 ATOM 2181 O O . PRO B 2 59 ? 18.479 -34.712 47.083 1.00 54.13 ? 59 PRO C O 1 ATOM 2182 C CB . PRO B 2 59 ? 18.573 -36.144 50.010 1.00 56.31 ? 59 PRO C CB 1 ATOM 2183 C CG . PRO B 2 59 ? 19.487 -35.434 50.950 1.00 55.70 ? 59 PRO C CG 1 ATOM 2184 C CD . PRO B 2 59 ? 20.419 -34.638 50.101 1.00 54.49 ? 59 PRO C CD 1 ATOM 2185 N N . SER B 2 60 ? 17.676 -36.835 47.037 1.00 56.99 ? 60 SER C N 1 ATOM 2186 C CA . SER B 2 60 ? 16.823 -36.677 45.868 1.00 56.29 ? 60 SER C CA 1 ATOM 2187 C C . SER B 2 60 ? 15.642 -35.734 46.059 1.00 54.52 ? 60 SER C C 1 ATOM 2188 O O . SER B 2 60 ? 15.118 -35.201 45.076 1.00 54.65 ? 60 SER C O 1 ATOM 2189 C CB . SER B 2 60 ? 16.322 -38.042 45.424 1.00 58.48 ? 60 SER C CB 1 ATOM 2190 O OG . SER B 2 60 ? 17.424 -38.820 45.006 1.00 60.01 ? 60 SER C OG 1 ATOM 2191 N N . ARG B 2 61 ? 15.219 -35.532 47.306 1.00 53.21 ? 61 ARG C N 1 ATOM 2192 C CA . ARG B 2 61 ? 14.144 -34.588 47.606 1.00 51.74 ? 61 ARG C CA 1 ATOM 2193 C C . ARG B 2 61 ? 14.449 -33.153 47.154 1.00 49.41 ? 61 ARG C C 1 ATOM 2194 O O . ARG B 2 61 ? 13.530 -32.422 46.810 1.00 49.80 ? 61 ARG C O 1 ATOM 2195 C CB . ARG B 2 61 ? 13.753 -34.623 49.094 1.00 52.45 ? 61 ARG C CB 1 ATOM 2196 C CG . ARG B 2 61 ? 14.811 -34.167 50.102 1.00 52.11 ? 61 ARG C CG 1 ATOM 2197 C CD . ARG B 2 61 ? 14.299 -34.380 51.519 1.00 52.32 ? 61 ARG C CD 1 ATOM 2198 N NE . ARG B 2 61 ? 15.254 -34.023 52.578 1.00 52.11 ? 61 ARG C NE 1 ATOM 2199 C CZ . ARG B 2 61 ? 16.254 -34.792 53.031 1.00 52.43 ? 61 ARG C CZ 1 ATOM 2200 N NH1 . ARG B 2 61 ? 16.517 -35.990 52.502 1.00 53.61 ? 61 ARG C NH1 1 ATOM 2201 N NH2 . ARG B 2 61 ? 17.025 -34.344 54.020 1.00 51.41 ? 61 ARG C NH2 1 ATOM 2202 N N . PHE B 2 62 ? 15.723 -32.766 47.139 1.00 46.85 ? 62 PHE C N 1 ATOM 2203 C CA . PHE B 2 62 ? 16.121 -31.451 46.639 1.00 45.27 ? 62 PHE C CA 1 ATOM 2204 C C . PHE B 2 62 ? 16.153 -31.423 45.116 1.00 44.71 ? 62 PHE C C 1 ATOM 2205 O O . PHE B 2 62 ? 16.726 -32.314 44.504 1.00 45.78 ? 62 PHE C O 1 ATOM 2206 C CB . PHE B 2 62 ? 17.502 -31.055 47.173 1.00 44.70 ? 62 PHE C CB 1 ATOM 2207 C CG . PHE B 2 62 ? 17.515 -30.731 48.635 1.00 43.92 ? 62 PHE C CG 1 ATOM 2208 C CD1 . PHE B 2 62 ? 17.125 -29.485 49.078 1.00 43.11 ? 62 PHE C CD1 1 ATOM 2209 C CD2 . PHE B 2 62 ? 17.925 -31.675 49.565 1.00 44.72 ? 62 PHE C CD2 1 ATOM 2210 C CE1 . PHE B 2 62 ? 17.138 -29.180 50.430 1.00 43.29 ? 62 PHE C CE1 1 ATOM 2211 C CE2 . PHE B 2 62 ? 17.937 -31.385 50.918 1.00 44.30 ? 62 PHE C CE2 1 ATOM 2212 C CZ . PHE B 2 62 ? 17.541 -30.136 51.353 1.00 43.82 ? 62 PHE C CZ 1 ATOM 2213 N N . SER B 2 63 ? 15.555 -30.398 44.511 1.00 43.43 ? 63 SER C N 1 ATOM 2214 C CA . SER B 2 63 ? 15.624 -30.208 43.060 1.00 43.00 ? 63 SER C CA 1 ATOM 2215 C C . SER B 2 63 ? 15.482 -28.738 42.658 1.00 41.73 ? 63 SER C C 1 ATOM 2216 O O . SER B 2 63 ? 14.920 -27.928 43.391 1.00 41.24 ? 63 SER C O 1 ATOM 2217 C CB . SER B 2 63 ? 14.562 -31.052 42.352 1.00 44.27 ? 63 SER C CB 1 ATOM 2218 O OG . SER B 2 63 ? 13.306 -30.402 42.334 1.00 44.67 ? 63 SER C OG 1 ATOM 2219 N N . GLY B 2 64 ? 15.972 -28.413 41.471 1.00 41.09 ? 64 GLY C N 1 ATOM 2220 C CA . GLY B 2 64 ? 15.992 -27.035 41.006 1.00 40.55 ? 64 GLY C CA 1 ATOM 2221 C C . GLY B 2 64 ? 15.385 -26.867 39.634 1.00 40.68 ? 64 GLY C C 1 ATOM 2222 O O . GLY B 2 64 ? 15.371 -27.793 38.847 1.00 41.57 ? 64 GLY C O 1 ATOM 2223 N N . SER B 2 65 ? 14.869 -25.677 39.361 1.00 40.41 ? 65 SER C N 1 ATOM 2224 C CA . SER B 2 65 ? 14.371 -25.342 38.035 1.00 41.00 ? 65 SER C CA 1 ATOM 2225 C C . SER B 2 65 ? 14.348 -23.835 37.825 1.00 40.50 ? 65 SER C C 1 ATOM 2226 O O . SER B 2 65 ? 14.473 -23.061 38.776 1.00 39.82 ? 65 SER C O 1 ATOM 2227 C CB . SER B 2 65 ? 12.975 -25.934 37.812 1.00 41.94 ? 65 SER C CB 1 ATOM 2228 O OG . SER B 2 65 ? 11.963 -25.132 38.389 1.00 41.93 ? 65 SER C OG 1 ATOM 2229 N N . GLY B 2 66 ? 14.176 -23.441 36.569 1.00 41.01 ? 66 GLY C N 1 ATOM 2230 C CA . GLY B 2 66 ? 14.137 -22.040 36.188 1.00 41.08 ? 66 GLY C CA 1 ATOM 2231 C C . GLY B 2 66 ? 14.899 -21.728 34.917 1.00 41.51 ? 66 GLY C C 1 ATOM 2232 O O . GLY B 2 66 ? 15.561 -22.585 34.330 1.00 40.09 ? 66 GLY C O 1 ATOM 2233 N N . SER B 2 67 ? 14.791 -20.463 34.523 1.00 42.81 ? 67 SER C N 1 ATOM 2234 C CA . SER B 2 67 ? 15.412 -19.923 33.316 1.00 43.59 ? 67 SER C CA 1 ATOM 2235 C C . SER B 2 67 ? 15.201 -18.425 33.282 1.00 44.28 ? 67 SER C C 1 ATOM 2236 O O . SER B 2 67 ? 14.294 -17.898 33.933 1.00 44.17 ? 67 SER C O 1 ATOM 2237 C CB . SER B 2 67 ? 14.791 -20.522 32.057 1.00 44.69 ? 67 SER C CB 1 ATOM 2238 O OG . SER B 2 67 ? 13.399 -20.285 32.039 1.00 45.48 ? 67 SER C OG 1 ATOM 2239 N N . GLY B 2 68 ? 16.030 -17.760 32.486 1.00 45.54 ? 68 GLY C N 1 ATOM 2240 C CA . GLY B 2 68 ? 16.027 -16.311 32.366 1.00 46.42 ? 68 GLY C CA 1 ATOM 2241 C C . GLY B 2 68 ? 16.309 -15.655 33.700 1.00 46.58 ? 68 GLY C C 1 ATOM 2242 O O . GLY B 2 68 ? 17.453 -15.632 34.178 1.00 46.30 ? 68 GLY C O 1 ATOM 2243 N N . THR B 2 69 ? 15.249 -15.166 34.325 1.00 47.27 ? 69 THR C N 1 ATOM 2244 C CA . THR B 2 69 ? 15.370 -14.340 35.513 1.00 47.21 ? 69 THR C CA 1 ATOM 2245 C C . THR B 2 69 ? 14.729 -14.952 36.781 1.00 47.23 ? 69 THR C C 1 ATOM 2246 O O . THR B 2 69 ? 14.797 -14.348 37.849 1.00 47.29 ? 69 THR C O 1 ATOM 2247 C CB . THR B 2 69 ? 14.809 -12.933 35.184 1.00 47.90 ? 69 THR C CB 1 ATOM 2248 O OG1 . THR B 2 69 ? 15.534 -11.944 35.909 1.00 48.21 ? 69 THR C OG1 1 ATOM 2249 C CG2 . THR B 2 69 ? 13.305 -12.816 35.464 1.00 48.29 ? 69 THR C CG2 1 ATOM 2250 N N . ASP B 2 70 ? 14.140 -16.146 36.676 1.00 48.05 ? 70 ASP C N 1 ATOM 2251 C CA . ASP B 2 70 ? 13.321 -16.715 37.757 1.00 48.26 ? 70 ASP C CA 1 ATOM 2252 C C . ASP B 2 70 ? 13.612 -18.192 37.996 1.00 46.74 ? 70 ASP C C 1 ATOM 2253 O O . ASP B 2 70 ? 13.407 -19.023 37.109 1.00 46.76 ? 70 ASP C O 1 ATOM 2254 C CB . ASP B 2 70 ? 11.845 -16.527 37.436 1.00 50.73 ? 70 ASP C CB 1 ATOM 2255 C CG . ASP B 2 70 ? 11.452 -15.064 37.362 1.00 52.90 ? 70 ASP C CG 1 ATOM 2256 O OD1 . ASP B 2 70 ? 11.745 -14.305 38.310 1.00 53.51 ? 70 ASP C OD1 1 ATOM 2257 O OD2 . ASP B 2 70 ? 10.858 -14.665 36.344 1.00 57.02 ? 70 ASP C OD2 1 ATOM 2258 N N . TYR B 2 71 ? 14.083 -18.501 39.206 1.00 44.87 ? 71 TYR C N 1 ATOM 2259 C CA . TYR B 2 71 ? 14.545 -19.844 39.563 1.00 43.72 ? 71 TYR C CA 1 ATOM 2260 C C . TYR B 2 71 ? 13.901 -20.297 40.851 1.00 43.63 ? 71 TYR C C 1 ATOM 2261 O O . TYR B 2 71 ? 13.559 -19.476 41.701 1.00 42.78 ? 71 TYR C O 1 ATOM 2262 C CB . TYR B 2 71 ? 16.065 -19.862 39.715 1.00 42.22 ? 71 TYR C CB 1 ATOM 2263 C CG . TYR B 2 71 ? 16.758 -19.447 38.452 1.00 42.06 ? 71 TYR C CG 1 ATOM 2264 C CD1 . TYR B 2 71 ? 16.995 -18.104 38.173 1.00 41.82 ? 71 TYR C CD1 1 ATOM 2265 C CD2 . TYR B 2 71 ? 17.128 -20.394 37.498 1.00 41.98 ? 71 TYR C CD2 1 ATOM 2266 C CE1 . TYR B 2 71 ? 17.594 -17.720 36.981 1.00 42.04 ? 71 TYR C CE1 1 ATOM 2267 C CE2 . TYR B 2 71 ? 17.737 -20.021 36.312 1.00 41.77 ? 71 TYR C CE2 1 ATOM 2268 C CZ . TYR B 2 71 ? 17.971 -18.687 36.054 1.00 41.81 ? 71 TYR C CZ 1 ATOM 2269 O OH . TYR B 2 71 ? 18.578 -18.327 34.872 1.00 41.38 ? 71 TYR C OH 1 ATOM 2270 N N . THR B 2 72 ? 13.734 -21.610 40.984 1.00 44.27 ? 72 THR C N 1 ATOM 2271 C CA . THR B 2 72 ? 13.191 -22.194 42.200 1.00 44.37 ? 72 THR C CA 1 ATOM 2272 C C . THR B 2 72 ? 14.037 -23.369 42.669 1.00 44.24 ? 72 THR C C 1 ATOM 2273 O O . THR B 2 72 ? 14.652 -24.076 41.847 1.00 44.08 ? 72 THR C O 1 ATOM 2274 C CB . THR B 2 72 ? 11.730 -22.673 42.010 1.00 45.39 ? 72 THR C CB 1 ATOM 2275 O OG1 . THR B 2 72 ? 11.654 -23.587 40.914 1.00 45.97 ? 72 THR C OG1 1 ATOM 2276 C CG2 . THR B 2 72 ? 10.809 -21.502 41.741 1.00 45.76 ? 72 THR C CG2 1 ATOM 2277 N N . LEU B 2 73 ? 14.073 -23.532 43.996 1.00 43.57 ? 73 LEU C N 1 ATOM 2278 C CA . LEU B 2 73 ? 14.529 -24.747 44.663 1.00 43.87 ? 73 LEU C CA 1 ATOM 2279 C C . LEU B 2 73 ? 13.316 -25.405 45.299 1.00 44.67 ? 73 LEU C C 1 ATOM 2280 O O . LEU B 2 73 ? 12.524 -24.731 45.957 1.00 43.92 ? 73 LEU C O 1 ATOM 2281 C CB . LEU B 2 73 ? 15.534 -24.408 45.761 1.00 43.69 ? 73 LEU C CB 1 ATOM 2282 C CG . LEU B 2 73 ? 16.201 -25.558 46.528 1.00 43.62 ? 73 LEU C CG 1 ATOM 2283 C CD1 . LEU B 2 73 ? 17.219 -26.270 45.650 1.00 43.69 ? 73 LEU C CD1 1 ATOM 2284 C CD2 . LEU B 2 73 ? 16.857 -25.038 47.799 1.00 42.67 ? 73 LEU C CD2 1 ATOM 2285 N N . THR B 2 74 ? 13.172 -26.715 45.100 1.00 46.43 ? 74 THR C N 1 ATOM 2286 C CA . THR B 2 74 ? 12.097 -27.494 45.724 1.00 47.12 ? 74 THR C CA 1 ATOM 2287 C C . THR B 2 74 ? 12.683 -28.568 46.624 1.00 47.13 ? 74 THR C C 1 ATOM 2288 O O . THR B 2 74 ? 13.680 -29.189 46.277 1.00 46.52 ? 74 THR C O 1 ATOM 2289 C CB . THR B 2 74 ? 11.182 -28.161 44.682 1.00 48.30 ? 74 THR C CB 1 ATOM 2290 O OG1 . THR B 2 74 ? 10.593 -27.158 43.850 1.00 48.03 ? 74 THR C OG1 1 ATOM 2291 C CG2 . THR B 2 74 ? 10.059 -28.956 45.366 1.00 49.28 ? 74 THR C CG2 1 ATOM 2292 N N . ILE B 2 75 ? 12.055 -28.735 47.785 1.00 47.72 ? 75 ILE C N 1 ATOM 2293 C CA . ILE B 2 75 ? 12.272 -29.852 48.697 1.00 49.02 ? 75 ILE C CA 1 ATOM 2294 C C . ILE B 2 75 ? 10.927 -30.589 48.683 1.00 50.60 ? 75 ILE C C 1 ATOM 2295 O O . ILE B 2 75 ? 9.933 -30.091 49.237 1.00 49.54 ? 75 ILE C O 1 ATOM 2296 C CB . ILE B 2 75 ? 12.618 -29.363 50.136 1.00 48.83 ? 75 ILE C CB 1 ATOM 2297 C CG1 . ILE B 2 75 ? 13.666 -28.246 50.096 1.00 47.89 ? 75 ILE C CG1 1 ATOM 2298 C CG2 . ILE B 2 75 ? 13.093 -30.513 51.026 1.00 49.20 ? 75 ILE C CG2 1 ATOM 2299 C CD1 . ILE B 2 75 ? 13.977 -27.656 51.456 1.00 47.60 ? 75 ILE C CD1 1 ATOM 2300 N N . SER B 2 76 ? 10.892 -31.755 48.034 1.00 52.57 ? 76 SER C N 1 ATOM 2301 C CA . SER B 2 76 ? 9.625 -32.439 47.723 1.00 54.39 ? 76 SER C CA 1 ATOM 2302 C C . SER B 2 76 ? 8.850 -32.876 48.967 1.00 55.71 ? 76 SER C C 1 ATOM 2303 O O . SER B 2 76 ? 7.627 -32.715 49.017 1.00 56.42 ? 76 SER C O 1 ATOM 2304 C CB . SER B 2 76 ? 9.860 -33.630 46.795 1.00 55.56 ? 76 SER C CB 1 ATOM 2305 O OG . SER B 2 76 ? 10.774 -34.551 47.360 1.00 56.08 ? 76 SER C OG 1 ATOM 2306 N N . SER B 2 77 ? 9.555 -33.431 49.956 1.00 56.63 ? 77 SER C N 1 ATOM 2307 C CA . SER B 2 77 ? 8.980 -33.665 51.300 1.00 57.13 ? 77 SER C CA 1 ATOM 2308 C C . SER B 2 77 ? 9.995 -33.253 52.359 1.00 55.29 ? 77 SER C C 1 ATOM 2309 O O . SER B 2 77 ? 11.077 -33.825 52.462 1.00 54.61 ? 77 SER C O 1 ATOM 2310 C CB . SER B 2 77 ? 8.506 -35.121 51.504 1.00 58.79 ? 77 SER C CB 1 ATOM 2311 O OG . SER B 2 77 ? 9.477 -35.935 52.141 1.00 59.32 ? 77 SER C OG 1 ATOM 2312 N N . LEU B 2 78 ? 9.622 -32.253 53.143 1.00 54.70 ? 78 LEU C N 1 ATOM 2313 C CA . LEU B 2 78 ? 10.523 -31.632 54.101 1.00 53.85 ? 78 LEU C CA 1 ATOM 2314 C C . LEU B 2 78 ? 10.858 -32.564 55.272 1.00 55.26 ? 78 LEU C C 1 ATOM 2315 O O . LEU B 2 78 ? 9.963 -33.163 55.871 1.00 55.34 ? 78 LEU C O 1 ATOM 2316 C CB . LEU B 2 78 ? 9.877 -30.349 54.611 1.00 52.45 ? 78 LEU C CB 1 ATOM 2317 C CG . LEU B 2 78 ? 10.646 -29.501 55.601 1.00 51.85 ? 78 LEU C CG 1 ATOM 2318 C CD1 . LEU B 2 78 ? 11.966 -29.059 54.999 1.00 51.68 ? 78 LEU C CD1 1 ATOM 2319 C CD2 . LEU B 2 78 ? 9.802 -28.304 56.012 1.00 51.55 ? 78 LEU C CD2 1 ATOM 2320 N N . HIS B 2 79 ? 12.149 -32.695 55.574 1.00 56.41 ? 79 HIS C N 1 ATOM 2321 C CA . HIS B 2 79 ? 12.628 -33.461 56.730 1.00 58.14 ? 79 HIS C CA 1 ATOM 2322 C C . HIS B 2 79 ? 12.971 -32.493 57.861 1.00 58.32 ? 79 HIS C C 1 ATOM 2323 O O . HIS B 2 79 ? 12.937 -31.282 57.659 1.00 57.75 ? 79 HIS C O 1 ATOM 2324 C CB . HIS B 2 79 ? 13.837 -34.319 56.338 1.00 59.19 ? 79 HIS C CB 1 ATOM 2325 C CG . HIS B 2 79 ? 13.478 -35.545 55.550 1.00 61.14 ? 79 HIS C CG 1 ATOM 2326 N ND1 . HIS B 2 79 ? 14.280 -36.667 55.509 1.00 62.40 ? 79 HIS C ND1 1 ATOM 2327 C CD2 . HIS B 2 79 ? 12.390 -35.835 54.794 1.00 62.51 ? 79 HIS C CD2 1 ATOM 2328 C CE1 . HIS B 2 79 ? 13.711 -37.587 54.748 1.00 63.99 ? 79 HIS C CE1 1 ATOM 2329 N NE2 . HIS B 2 79 ? 12.559 -37.111 54.309 1.00 64.12 ? 79 HIS C NE2 1 ATOM 2330 N N . SER B 2 80 ? 13.269 -33.019 59.053 1.00 60.64 ? 80 SER C N 1 ATOM 2331 C CA . SER B 2 80 ? 13.607 -32.175 60.218 1.00 60.58 ? 80 SER C CA 1 ATOM 2332 C C . SER B 2 80 ? 15.031 -31.603 60.122 1.00 59.88 ? 80 SER C C 1 ATOM 2333 O O . SER B 2 80 ? 15.265 -30.446 60.479 1.00 57.55 ? 80 SER C O 1 ATOM 2334 C CB . SER B 2 80 ? 13.393 -32.926 61.552 1.00 62.53 ? 80 SER C CB 1 ATOM 2335 O OG . SER B 2 80 ? 14.515 -33.710 61.949 1.00 64.12 ? 80 SER C OG 1 ATOM 2336 N N . GLU B 2 81 ? 15.966 -32.420 59.634 1.00 61.30 ? 81 GLU C N 1 ATOM 2337 C CA . GLU B 2 81 ? 17.347 -31.986 59.402 1.00 62.06 ? 81 GLU C CA 1 ATOM 2338 C C . GLU B 2 81 ? 17.498 -30.922 58.297 1.00 59.96 ? 81 GLU C C 1 ATOM 2339 O O . GLU B 2 81 ? 18.534 -30.263 58.227 1.00 60.23 ? 81 GLU C O 1 ATOM 2340 C CB . GLU B 2 81 ? 18.253 -33.192 59.099 1.00 65.31 ? 81 GLU C CB 1 ATOM 2341 C CG . GLU B 2 81 ? 18.486 -34.127 60.285 1.00 68.67 ? 81 GLU C CG 1 ATOM 2342 C CD . GLU B 2 81 ? 19.244 -33.484 61.454 1.00 70.84 ? 81 GLU C CD 1 ATOM 2343 O OE1 . GLU B 2 81 ? 20.053 -32.546 61.229 1.00 71.71 ? 81 GLU C OE1 1 ATOM 2344 O OE2 . GLU B 2 81 ? 19.034 -33.923 62.614 1.00 72.55 ? 81 GLU C OE2 1 ATOM 2345 N N . ASP B 2 82 ? 16.477 -30.744 57.453 1.00 57.60 ? 82 ASP C N 1 ATOM 2346 C CA . ASP B 2 82 ? 16.455 -29.648 56.466 1.00 55.71 ? 82 ASP C CA 1 ATOM 2347 C C . ASP B 2 82 ? 16.295 -28.250 57.073 1.00 54.66 ? 82 ASP C C 1 ATOM 2348 O O . ASP B 2 82 ? 16.440 -27.245 56.376 1.00 52.27 ? 82 ASP C O 1 ATOM 2349 C CB . ASP B 2 82 ? 15.341 -29.865 55.437 1.00 54.91 ? 82 ASP C CB 1 ATOM 2350 C CG . ASP B 2 82 ? 15.526 -31.123 54.625 1.00 54.68 ? 82 ASP C CG 1 ATOM 2351 O OD1 . ASP B 2 82 ? 16.645 -31.677 54.579 1.00 54.91 ? 82 ASP C OD1 1 ATOM 2352 O OD2 . ASP B 2 82 ? 14.533 -31.568 54.023 1.00 54.57 ? 82 ASP C OD2 1 ATOM 2353 N N . LEU B 2 83 ? 15.954 -28.184 58.355 1.00 56.62 ? 83 LEU C N 1 ATOM 2354 C CA . LEU B 2 83 ? 16.040 -26.938 59.118 1.00 56.56 ? 83 LEU C CA 1 ATOM 2355 C C . LEU B 2 83 ? 17.396 -26.255 58.854 1.00 55.89 ? 83 LEU C C 1 ATOM 2356 O O . LEU B 2 83 ? 18.437 -26.727 59.315 1.00 57.87 ? 83 LEU C O 1 ATOM 2357 C CB . LEU B 2 83 ? 15.875 -27.242 60.610 1.00 58.20 ? 83 LEU C CB 1 ATOM 2358 C CG . LEU B 2 83 ? 15.710 -26.054 61.558 1.00 58.85 ? 83 LEU C CG 1 ATOM 2359 C CD1 . LEU B 2 83 ? 14.249 -25.620 61.572 1.00 59.48 ? 83 LEU C CD1 1 ATOM 2360 C CD2 . LEU B 2 83 ? 16.185 -26.394 62.964 1.00 59.17 ? 83 LEU C CD2 1 ATOM 2361 N N . ALA B 2 84 ? 17.375 -25.181 58.066 1.00 53.42 ? 84 ALA C N 1 ATOM 2362 C CA . ALA B 2 84 ? 18.584 -24.421 57.736 1.00 50.82 ? 84 ALA C CA 1 ATOM 2363 C C . ALA B 2 84 ? 18.213 -23.082 57.109 1.00 49.10 ? 84 ALA C C 1 ATOM 2364 O O . ALA B 2 84 ? 17.028 -22.756 56.981 1.00 49.21 ? 84 ALA C O 1 ATOM 2365 C CB . ALA B 2 84 ? 19.462 -25.213 56.775 1.00 51.34 ? 84 ALA C CB 1 ATOM 2366 N N . THR B 2 85 ? 19.233 -22.316 56.726 1.00 47.30 ? 85 THR C N 1 ATOM 2367 C CA . THR B 2 85 ? 19.074 -21.142 55.859 1.00 45.55 ? 85 THR C CA 1 ATOM 2368 C C . THR B 2 85 ? 19.529 -21.474 54.426 1.00 43.89 ? 85 THR C C 1 ATOM 2369 O O . THR B 2 85 ? 20.616 -22.016 54.223 1.00 44.46 ? 85 THR C O 1 ATOM 2370 C CB . THR B 2 85 ? 19.896 -19.953 56.373 1.00 45.35 ? 85 THR C CB 1 ATOM 2371 O OG1 . THR B 2 85 ? 19.701 -19.829 57.778 1.00 46.53 ? 85 THR C OG1 1 ATOM 2372 C CG2 . THR B 2 85 ? 19.487 -18.648 55.681 1.00 45.36 ? 85 THR C CG2 1 ATOM 2373 N N . TYR B 2 86 ? 18.707 -21.114 53.443 1.00 41.40 ? 86 TYR C N 1 ATOM 2374 C CA . TYR B 2 86 ? 18.964 -21.444 52.054 1.00 39.74 ? 86 TYR C CA 1 ATOM 2375 C C . TYR B 2 86 ? 19.319 -20.178 51.310 1.00 38.97 ? 86 TYR C C 1 ATOM 2376 O O . TYR B 2 86 ? 18.608 -19.191 51.407 1.00 38.95 ? 86 TYR C O 1 ATOM 2377 C CB . TYR B 2 86 ? 17.741 -22.145 51.456 1.00 39.35 ? 86 TYR C CB 1 ATOM 2378 C CG . TYR B 2 86 ? 17.570 -23.520 52.048 1.00 39.07 ? 86 TYR C CG 1 ATOM 2379 C CD1 . TYR B 2 86 ? 16.881 -23.702 53.246 1.00 39.18 ? 86 TYR C CD1 1 ATOM 2380 C CD2 . TYR B 2 86 ? 18.157 -24.631 51.455 1.00 39.26 ? 86 TYR C CD2 1 ATOM 2381 C CE1 . TYR B 2 86 ? 16.756 -24.963 53.818 1.00 39.38 ? 86 TYR C CE1 1 ATOM 2382 C CE2 . TYR B 2 86 ? 18.037 -25.896 52.018 1.00 39.65 ? 86 TYR C CE2 1 ATOM 2383 C CZ . TYR B 2 86 ? 17.333 -26.052 53.197 1.00 39.52 ? 86 TYR C CZ 1 ATOM 2384 O OH . TYR B 2 86 ? 17.203 -27.289 53.752 1.00 39.93 ? 86 TYR C OH 1 ATOM 2385 N N . TYR B 2 87 ? 20.444 -20.213 50.596 1.00 38.68 ? 87 TYR C N 1 ATOM 2386 C CA . TYR B 2 87 ? 20.953 -19.079 49.827 1.00 38.33 ? 87 TYR C CA 1 ATOM 2387 C C . TYR B 2 87 ? 21.044 -19.484 48.362 1.00 38.08 ? 87 TYR C C 1 ATOM 2388 O O . TYR B 2 87 ? 21.492 -20.588 48.060 1.00 38.07 ? 87 TYR C O 1 ATOM 2389 C CB . TYR B 2 87 ? 22.353 -18.687 50.308 1.00 38.41 ? 87 TYR C CB 1 ATOM 2390 C CG . TYR B 2 87 ? 22.408 -18.083 51.686 1.00 38.59 ? 87 TYR C CG 1 ATOM 2391 C CD1 . TYR B 2 87 ? 22.466 -18.890 52.819 1.00 39.03 ? 87 TYR C CD1 1 ATOM 2392 C CD2 . TYR B 2 87 ? 22.425 -16.705 51.862 1.00 39.13 ? 87 TYR C CD2 1 ATOM 2393 C CE1 . TYR B 2 87 ? 22.519 -18.346 54.092 1.00 39.23 ? 87 TYR C CE1 1 ATOM 2394 C CE2 . TYR B 2 87 ? 22.490 -16.146 53.125 1.00 39.64 ? 87 TYR C CE2 1 ATOM 2395 C CZ . TYR B 2 87 ? 22.526 -16.977 54.239 1.00 40.18 ? 87 TYR C CZ 1 ATOM 2396 O OH . TYR B 2 87 ? 22.580 -16.433 55.502 1.00 41.70 ? 87 TYR C OH 1 ATOM 2397 N N . CYS B 2 88 ? 20.616 -18.600 47.461 1.00 37.84 ? 88 CYS C N 1 ATOM 2398 C CA . CYS B 2 88 ? 20.910 -18.749 46.043 1.00 38.04 ? 88 CYS C CA 1 ATOM 2399 C C . CYS B 2 88 ? 22.095 -17.831 45.700 1.00 36.48 ? 88 CYS C C 1 ATOM 2400 O O . CYS B 2 88 ? 22.327 -16.814 46.384 1.00 35.87 ? 88 CYS C O 1 ATOM 2401 C CB . CYS B 2 88 ? 19.676 -18.465 45.164 1.00 39.52 ? 88 CYS C CB 1 ATOM 2402 S SG . CYS B 2 88 ? 18.964 -16.803 45.253 1.00 41.66 ? 88 CYS C SG 1 ATOM 2403 N N . TYR B 2 89 ? 22.864 -18.203 44.677 1.00 34.46 ? 89 TYR C N 1 ATOM 2404 C CA . TYR B 2 89 ? 23.913 -17.305 44.156 1.00 33.58 ? 89 TYR C CA 1 ATOM 2405 C C . TYR B 2 89 ? 24.194 -17.514 42.667 1.00 33.09 ? 89 TYR C C 1 ATOM 2406 O O . TYR B 2 89 ? 23.924 -18.576 42.103 1.00 32.88 ? 89 TYR C O 1 ATOM 2407 C CB . TYR B 2 89 ? 25.211 -17.355 44.997 1.00 32.69 ? 89 TYR C CB 1 ATOM 2408 C CG . TYR B 2 89 ? 26.164 -18.496 44.684 1.00 32.34 ? 89 TYR C CG 1 ATOM 2409 C CD1 . TYR B 2 89 ? 27.120 -18.380 43.682 1.00 32.50 ? 89 TYR C CD1 1 ATOM 2410 C CD2 . TYR B 2 89 ? 26.125 -19.676 45.411 1.00 32.07 ? 89 TYR C CD2 1 ATOM 2411 C CE1 . TYR B 2 89 ? 27.997 -19.415 43.399 1.00 32.59 ? 89 TYR C CE1 1 ATOM 2412 C CE2 . TYR B 2 89 ? 27.001 -20.713 45.147 1.00 32.37 ? 89 TYR C CE2 1 ATOM 2413 C CZ . TYR B 2 89 ? 27.933 -20.582 44.134 1.00 32.59 ? 89 TYR C CZ 1 ATOM 2414 O OH . TYR B 2 89 ? 28.793 -21.618 43.852 1.00 32.58 ? 89 TYR C OH 1 ATOM 2415 N N . GLN B 2 90 ? 24.804 -16.488 42.089 1.00 32.69 ? 90 GLN C N 1 ATOM 2416 C CA . GLN B 2 90 ? 24.900 -16.264 40.655 1.00 32.83 ? 90 GLN C CA 1 ATOM 2417 C C . GLN B 2 90 ? 26.376 -16.099 40.277 1.00 32.56 ? 90 GLN C C 1 ATOM 2418 O O . GLN B 2 90 ? 27.090 -15.342 40.919 1.00 32.55 ? 90 GLN C O 1 ATOM 2419 C CB . GLN B 2 90 ? 24.089 -14.989 40.363 1.00 33.16 ? 90 GLN C CB 1 ATOM 2420 C CG . GLN B 2 90 ? 24.332 -14.281 39.057 1.00 33.74 ? 90 GLN C CG 1 ATOM 2421 C CD . GLN B 2 90 ? 25.554 -13.386 39.042 1.00 33.73 ? 90 GLN C CD 1 ATOM 2422 O OE1 . GLN B 2 90 ? 26.385 -13.529 38.160 1.00 34.11 ? 90 GLN C OE1 1 ATOM 2423 N NE2 . GLN B 2 90 ? 25.666 -12.463 40.001 1.00 33.39 ? 90 GLN C NE2 1 ATOM 2424 N N . TYR B 2 91 ? 26.826 -16.795 39.240 1.00 32.37 ? 91 TYR C N 1 ATOM 2425 C CA . TYR B 2 91 ? 28.259 -16.854 38.913 1.00 32.59 ? 91 TYR C CA 1 ATOM 2426 C C . TYR B 2 91 ? 28.659 -16.610 37.412 1.00 33.58 ? 91 TYR C C 1 ATOM 2427 O O . TYR B 2 91 ? 29.696 -17.110 36.971 1.00 33.17 ? 91 TYR C O 1 ATOM 2428 C CB . TYR B 2 91 ? 28.847 -18.176 39.476 1.00 31.82 ? 91 TYR C CB 1 ATOM 2429 C CG . TYR B 2 91 ? 28.162 -19.455 39.012 1.00 31.14 ? 91 TYR C CG 1 ATOM 2430 C CD1 . TYR B 2 91 ? 27.051 -19.955 39.678 1.00 30.60 ? 91 TYR C CD1 1 ATOM 2431 C CD2 . TYR B 2 91 ? 28.648 -20.175 37.919 1.00 31.05 ? 91 TYR C CD2 1 ATOM 2432 C CE1 . TYR B 2 91 ? 26.432 -21.125 39.259 1.00 30.48 ? 91 TYR C CE1 1 ATOM 2433 C CE2 . TYR B 2 91 ? 28.043 -21.348 37.497 1.00 30.77 ? 91 TYR C CE2 1 ATOM 2434 C CZ . TYR B 2 91 ? 26.932 -21.811 38.156 1.00 30.63 ? 91 TYR C CZ 1 ATOM 2435 O OH . TYR B 2 91 ? 26.325 -22.959 37.730 1.00 30.49 ? 91 TYR C OH 1 ATOM 2436 N N . ILE B 2 92 ? 27.874 -15.811 36.669 1.00 34.56 ? 92 ILE C N 1 ATOM 2437 C CA . ILE B 2 92 ? 28.272 -15.351 35.306 1.00 36.09 ? 92 ILE C CA 1 ATOM 2438 C C . ILE B 2 92 ? 28.758 -13.908 35.243 1.00 36.97 ? 92 ILE C C 1 ATOM 2439 O O . ILE B 2 92 ? 29.574 -13.594 34.361 1.00 37.51 ? 92 ILE C O 1 ATOM 2440 C CB . ILE B 2 92 ? 27.193 -15.447 34.174 1.00 36.78 ? 92 ILE C CB 1 ATOM 2441 C CG1 . ILE B 2 92 ? 25.811 -15.791 34.703 1.00 37.09 ? 92 ILE C CG1 1 ATOM 2442 C CG2 . ILE B 2 92 ? 27.642 -16.408 33.075 1.00 36.88 ? 92 ILE C CG2 1 ATOM 2443 C CD1 . ILE B 2 92 ? 25.058 -14.625 35.312 1.00 37.59 ? 92 ILE C CD1 1 ATOM 2444 N N . ASN B 2 93 ? 28.222 -13.034 36.102 1.00 36.66 ? 93 ASN C N 1 ATOM 2445 C CA . ASN B 2 93 ? 28.559 -11.610 36.093 1.00 37.67 ? 93 ASN C CA 1 ATOM 2446 C C . ASN B 2 93 ? 28.810 -11.181 37.534 1.00 37.27 ? 93 ASN C C 1 ATOM 2447 O O . ASN B 2 93 ? 27.891 -10.844 38.281 1.00 37.10 ? 93 ASN C O 1 ATOM 2448 C CB . ASN B 2 93 ? 27.427 -10.805 35.437 1.00 38.94 ? 93 ASN C CB 1 ATOM 2449 C CG . ASN B 2 93 ? 27.796 -9.344 35.190 1.00 40.02 ? 93 ASN C CG 1 ATOM 2450 O OD1 . ASN B 2 93 ? 28.819 -9.035 34.582 1.00 39.96 ? 93 ASN C OD1 1 ATOM 2451 N ND2 . ASN B 2 93 ? 26.940 -8.440 35.655 1.00 40.70 ? 93 ASN C ND2 1 ATOM 2452 N N . GLY B 2 94 ? 30.079 -11.210 37.921 1.00 37.30 ? 94 GLY C N 1 ATOM 2453 C CA . GLY B 2 94 ? 30.463 -11.166 39.320 1.00 36.67 ? 94 GLY C CA 1 ATOM 2454 C C . GLY B 2 94 ? 29.881 -12.316 40.114 1.00 35.50 ? 94 GLY C C 1 ATOM 2455 O O . GLY B 2 94 ? 29.517 -13.351 39.561 1.00 34.82 ? 94 GLY C O 1 ATOM 2456 N N . TYR B 2 95 ? 29.813 -12.125 41.423 1.00 35.13 ? 95 TYR C N 1 ATOM 2457 C CA . TYR B 2 95 ? 29.266 -13.112 42.328 1.00 34.24 ? 95 TYR C CA 1 ATOM 2458 C C . TYR B 2 95 ? 28.364 -12.387 43.305 1.00 34.53 ? 95 TYR C C 1 ATOM 2459 O O . TYR B 2 95 ? 28.844 -11.675 44.176 1.00 34.72 ? 95 TYR C O 1 ATOM 2460 C CB . TYR B 2 95 ? 30.387 -13.838 43.074 1.00 33.74 ? 95 TYR C CB 1 ATOM 2461 C CG . TYR B 2 95 ? 31.346 -14.601 42.187 1.00 33.37 ? 95 TYR C CG 1 ATOM 2462 C CD1 . TYR B 2 95 ? 31.037 -15.877 41.747 1.00 32.73 ? 95 TYR C CD1 1 ATOM 2463 C CD2 . TYR B 2 95 ? 32.573 -14.056 41.813 1.00 33.75 ? 95 TYR C CD2 1 ATOM 2464 C CE1 . TYR B 2 95 ? 31.903 -16.588 40.944 1.00 32.86 ? 95 TYR C CE1 1 ATOM 2465 C CE2 . TYR B 2 95 ? 33.450 -14.764 41.011 1.00 33.91 ? 95 TYR C CE2 1 ATOM 2466 C CZ . TYR B 2 95 ? 33.104 -16.035 40.574 1.00 33.45 ? 95 TYR C CZ 1 ATOM 2467 O OH . TYR B 2 95 ? 33.958 -16.781 39.777 1.00 33.66 ? 95 TYR C OH 1 ATOM 2468 N N . THR B 2 96 ? 27.055 -12.546 43.141 1.00 35.14 ? 96 THR C N 1 ATOM 2469 C CA . THR B 2 96 ? 26.094 -11.954 44.066 1.00 35.64 ? 96 THR C CA 1 ATOM 2470 C C . THR B 2 96 ? 25.240 -13.050 44.635 1.00 35.90 ? 96 THR C C 1 ATOM 2471 O O . THR B 2 96 ? 25.014 -14.078 43.990 1.00 35.24 ? 96 THR C O 1 ATOM 2472 C CB . THR B 2 96 ? 25.213 -10.867 43.421 1.00 35.84 ? 96 THR C CB 1 ATOM 2473 O OG1 . THR B 2 96 ? 24.429 -11.430 42.377 1.00 35.68 ? 96 THR C OG1 1 ATOM 2474 C CG2 . THR B 2 96 ? 26.066 -9.735 42.865 1.00 36.64 ? 96 THR C CG2 1 ATOM 2475 N N . PHE B 2 97 ? 24.777 -12.810 45.857 1.00 37.12 ? 97 PHE C N 1 ATOM 2476 C CA . PHE B 2 97 ? 24.104 -13.813 46.653 1.00 37.97 ? 97 PHE C CA 1 ATOM 2477 C C . PHE B 2 97 ? 22.716 -13.312 47.023 1.00 39.43 ? 97 PHE C C 1 ATOM 2478 O O . PHE B 2 97 ? 22.502 -12.110 47.156 1.00 39.84 ? 97 PHE C O 1 ATOM 2479 C CB . PHE B 2 97 ? 24.929 -14.080 47.919 1.00 37.83 ? 97 PHE C CB 1 ATOM 2480 C CG . PHE B 2 97 ? 26.285 -14.676 47.648 1.00 37.39 ? 97 PHE C CG 1 ATOM 2481 C CD1 . PHE B 2 97 ? 27.323 -13.888 47.171 1.00 37.72 ? 97 PHE C CD1 1 ATOM 2482 C CD2 . PHE B 2 97 ? 26.523 -16.027 47.872 1.00 37.05 ? 97 PHE C CD2 1 ATOM 2483 C CE1 . PHE B 2 97 ? 28.565 -14.434 46.913 1.00 38.00 ? 97 PHE C CE1 1 ATOM 2484 C CE2 . PHE B 2 97 ? 27.766 -16.581 47.619 1.00 37.34 ? 97 PHE C CE2 1 ATOM 2485 C CZ . PHE B 2 97 ? 28.792 -15.783 47.144 1.00 37.77 ? 97 PHE C CZ 1 ATOM 2486 N N . GLY B 2 98 ? 21.777 -14.236 47.188 1.00 41.45 ? 98 GLY C N 1 ATOM 2487 C CA . GLY B 2 98 ? 20.473 -13.908 47.758 1.00 43.37 ? 98 GLY C CA 1 ATOM 2488 C C . GLY B 2 98 ? 20.559 -13.617 49.247 1.00 45.06 ? 98 GLY C C 1 ATOM 2489 O O . GLY B 2 98 ? 21.547 -13.964 49.907 1.00 43.98 ? 98 GLY C O 1 ATOM 2490 N N . THR B 2 99 ? 19.517 -12.971 49.765 1.00 48.11 ? 99 THR C N 1 ATOM 2491 C CA . THR B 2 99 ? 19.479 -12.554 51.174 1.00 50.28 ? 99 THR C CA 1 ATOM 2492 C C . THR B 2 99 ? 19.340 -13.769 52.097 1.00 50.55 ? 99 THR C C 1 ATOM 2493 O O . THR B 2 99 ? 19.875 -13.772 53.209 1.00 52.44 ? 99 THR C O 1 ATOM 2494 C CB . THR B 2 99 ? 18.343 -11.535 51.461 1.00 51.28 ? 99 THR C CB 1 ATOM 2495 O OG1 . THR B 2 99 ? 17.650 -11.193 50.246 1.00 52.29 ? 99 THR C OG1 1 ATOM 2496 C CG2 . THR B 2 99 ? 18.926 -10.272 52.107 1.00 51.66 ? 99 THR C CG2 1 ATOM 2497 N N . GLY B 2 100 ? 18.622 -14.789 51.632 1.00 50.10 ? 100 GLY C N 1 ATOM 2498 C CA . GLY B 2 100 ? 18.590 -16.083 52.305 1.00 50.05 ? 100 GLY C CA 1 ATOM 2499 C C . GLY B 2 100 ? 17.228 -16.353 52.886 1.00 50.26 ? 100 GLY C C 1 ATOM 2500 O O . GLY B 2 100 ? 16.622 -15.457 53.464 1.00 51.25 ? 100 GLY C O 1 ATOM 2501 N N . THR B 2 101 ? 16.758 -17.590 52.742 1.00 50.42 ? 101 THR C N 1 ATOM 2502 C CA . THR B 2 101 ? 15.466 -18.012 53.267 1.00 50.80 ? 101 THR C CA 1 ATOM 2503 C C . THR B 2 101 ? 15.723 -18.877 54.484 1.00 51.46 ? 101 THR C C 1 ATOM 2504 O O . THR B 2 101 ? 16.421 -19.877 54.376 1.00 50.31 ? 101 THR C O 1 ATOM 2505 C CB . THR B 2 101 ? 14.664 -18.793 52.208 1.00 50.61 ? 101 THR C CB 1 ATOM 2506 O OG1 . THR B 2 101 ? 14.182 -17.879 51.222 1.00 50.54 ? 101 THR C OG1 1 ATOM 2507 C CG2 . THR B 2 101 ? 13.467 -19.523 52.819 1.00 51.13 ? 101 THR C CG2 1 ATOM 2508 N N . LYS B 2 102 ? 15.162 -18.477 55.629 1.00 53.72 ? 102 LYS C N 1 ATOM 2509 C CA . LYS B 2 102 ? 15.223 -19.264 56.859 1.00 55.17 ? 102 LYS C CA 1 ATOM 2510 C C . LYS B 2 102 ? 14.002 -20.144 56.913 1.00 55.13 ? 102 LYS C C 1 ATOM 2511 O O . LYS B 2 102 ? 12.887 -19.674 56.712 1.00 53.75 ? 102 LYS C O 1 ATOM 2512 C CB . LYS B 2 102 ? 15.307 -18.380 58.118 1.00 56.56 ? 102 LYS C CB 1 ATOM 2513 C CG . LYS B 2 102 ? 16.633 -18.508 58.874 1.00 59.23 ? 102 LYS C CG 1 ATOM 2514 C CD . LYS B 2 102 ? 17.268 -17.164 59.260 1.00 61.52 ? 102 LYS C CD 1 ATOM 2515 C CE . LYS B 2 102 ? 18.794 -17.224 59.167 1.00 62.69 ? 102 LYS C CE 1 ATOM 2516 N NZ . LYS B 2 102 ? 19.495 -15.993 59.624 1.00 63.51 ? 102 LYS C NZ 1 ATOM 2517 N N . LEU B 2 103 ? 14.233 -21.420 57.190 1.00 57.09 ? 103 LEU C N 1 ATOM 2518 C CA . LEU B 2 103 ? 13.191 -22.423 57.238 1.00 60.07 ? 103 LEU C CA 1 ATOM 2519 C C . LEU B 2 103 ? 12.936 -22.810 58.695 1.00 60.85 ? 103 LEU C C 1 ATOM 2520 O O . LEU B 2 103 ? 13.829 -23.325 59.359 1.00 61.43 ? 103 LEU C O 1 ATOM 2521 C CB . LEU B 2 103 ? 13.639 -23.635 56.419 1.00 61.38 ? 103 LEU C CB 1 ATOM 2522 C CG . LEU B 2 103 ? 12.635 -24.756 56.147 1.00 63.34 ? 103 LEU C CG 1 ATOM 2523 C CD1 . LEU B 2 103 ? 11.462 -24.257 55.308 1.00 64.35 ? 103 LEU C CD1 1 ATOM 2524 C CD2 . LEU B 2 103 ? 13.342 -25.911 55.458 1.00 63.51 ? 103 LEU C CD2 1 ATOM 2525 N N . GLU B 2 104 ? 11.733 -22.522 59.192 1.00 62.82 ? 104 GLU C N 1 ATOM 2526 C CA . GLU B 2 104 ? 11.301 -22.947 60.528 1.00 65.08 ? 104 GLU C CA 1 ATOM 2527 C C . GLU B 2 104 ? 10.169 -23.968 60.392 1.00 65.35 ? 104 GLU C C 1 ATOM 2528 O O . GLU B 2 104 ? 9.259 -23.800 59.578 1.00 64.22 ? 104 GLU C O 1 ATOM 2529 C CB . GLU B 2 104 ? 10.875 -21.745 61.382 1.00 67.53 ? 104 GLU C CB 1 ATOM 2530 C CG . GLU B 2 104 ? 12.061 -20.979 61.979 1.00 70.40 ? 104 GLU C CG 1 ATOM 2531 C CD . GLU B 2 104 ? 11.658 -19.871 62.952 1.00 73.03 ? 104 GLU C CD 1 ATOM 2532 O OE1 . GLU B 2 104 ? 10.658 -19.161 62.676 1.00 75.86 ? 104 GLU C OE1 1 ATOM 2533 O OE2 . GLU B 2 104 ? 12.351 -19.700 63.990 1.00 71.61 ? 104 GLU C OE2 1 ATOM 2534 N N . LEU B 2 105 ? 10.246 -25.034 61.184 1.00 65.01 ? 105 LEU C N 1 ATOM 2535 C CA . LEU B 2 105 ? 9.314 -26.148 61.087 1.00 65.93 ? 105 LEU C CA 1 ATOM 2536 C C . LEU B 2 105 ? 8.091 -25.971 61.975 1.00 64.62 ? 105 LEU C C 1 ATOM 2537 O O . LEU B 2 105 ? 8.213 -25.569 63.126 1.00 64.41 ? 105 LEU C O 1 ATOM 2538 C CB . LEU B 2 105 ? 10.017 -27.453 61.456 1.00 67.77 ? 105 LEU C CB 1 ATOM 2539 C CG . LEU B 2 105 ? 11.283 -27.764 60.658 1.00 68.93 ? 105 LEU C CG 1 ATOM 2540 C CD1 . LEU B 2 105 ? 11.867 -29.085 61.124 1.00 70.54 ? 105 LEU C CD1 1 ATOM 2541 C CD2 . LEU B 2 105 ? 11.020 -27.800 59.161 1.00 69.73 ? 105 LEU C CD2 1 ATOM 2542 N N . LYS B 2 106 ? 6.919 -26.263 61.412 1.00 64.87 ? 106 LYS C N 1 ATOM 2543 C CA . LYS B 2 106 ? 5.661 -26.387 62.159 1.00 64.86 ? 106 LYS C CA 1 ATOM 2544 C C . LYS B 2 106 ? 5.676 -27.667 62.978 1.00 62.69 ? 106 LYS C C 1 ATOM 2545 O O . LYS B 2 106 ? 6.201 -28.694 62.543 1.00 63.37 ? 106 LYS C O 1 ATOM 2546 C CB . LYS B 2 106 ? 4.451 -26.431 61.216 1.00 68.09 ? 106 LYS C CB 1 ATOM 2547 C CG . LYS B 2 106 ? 4.144 -25.124 60.503 1.00 69.89 ? 106 LYS C CG 1 ATOM 2548 C CD . LYS B 2 106 ? 3.227 -24.220 61.319 1.00 71.67 ? 106 LYS C CD 1 ATOM 2549 C CE . LYS B 2 106 ? 2.767 -23.019 60.504 1.00 72.77 ? 106 LYS C CE 1 ATOM 2550 N NZ . LYS B 2 106 ? 2.054 -23.425 59.255 1.00 73.95 ? 106 LYS C NZ 1 ATOM 2551 N N . ARG B 2 107 ? 5.041 -27.604 64.140 1.00 59.97 ? 107 ARG C N 1 ATOM 2552 C CA . ARG B 2 107 ? 5.187 -28.620 65.172 1.00 59.01 ? 107 ARG C CA 1 ATOM 2553 C C . ARG B 2 107 ? 3.994 -28.547 66.119 1.00 59.14 ? 107 ARG C C 1 ATOM 2554 O O . ARG B 2 107 ? 3.289 -27.536 66.161 1.00 58.97 ? 107 ARG C O 1 ATOM 2555 C CB . ARG B 2 107 ? 6.470 -28.330 65.955 1.00 58.06 ? 107 ARG C CB 1 ATOM 2556 C CG . ARG B 2 107 ? 7.223 -29.538 66.485 1.00 57.80 ? 107 ARG C CG 1 ATOM 2557 C CD . ARG B 2 107 ? 7.700 -29.296 67.910 1.00 56.62 ? 107 ARG C CD 1 ATOM 2558 N NE . ARG B 2 107 ? 6.701 -29.799 68.848 1.00 56.32 ? 107 ARG C NE 1 ATOM 2559 C CZ . ARG B 2 107 ? 6.855 -30.834 69.669 1.00 56.91 ? 107 ARG C CZ 1 ATOM 2560 N NH1 . ARG B 2 107 ? 8.008 -31.497 69.761 1.00 57.98 ? 107 ARG C NH1 1 ATOM 2561 N NH2 . ARG B 2 107 ? 5.841 -31.192 70.445 1.00 57.60 ? 107 ARG C NH2 1 ATOM 2562 N N . ALA B 2 108 ? 3.779 -29.615 66.887 1.00 59.79 ? 108 ALA C N 1 ATOM 2563 C CA . ALA B 2 108 ? 2.769 -29.619 67.958 1.00 58.73 ? 108 ALA C CA 1 ATOM 2564 C C . ALA B 2 108 ? 3.235 -28.764 69.138 1.00 57.05 ? 108 ALA C C 1 ATOM 2565 O O . ALA B 2 108 ? 4.390 -28.339 69.191 1.00 55.62 ? 108 ALA C O 1 ATOM 2566 C CB . ALA B 2 108 ? 2.495 -31.041 68.415 1.00 60.02 ? 108 ALA C CB 1 ATOM 2567 N N . ASP B 2 109 ? 2.343 -28.523 70.091 1.00 56.78 ? 109 ASP C N 1 ATOM 2568 C CA . ASP B 2 109 ? 2.702 -27.741 71.274 1.00 55.69 ? 109 ASP C CA 1 ATOM 2569 C C . ASP B 2 109 ? 3.513 -28.575 72.264 1.00 55.18 ? 109 ASP C C 1 ATOM 2570 O O . ASP B 2 109 ? 3.184 -29.729 72.531 1.00 56.76 ? 109 ASP C O 1 ATOM 2571 C CB . ASP B 2 109 ? 1.457 -27.187 71.967 1.00 56.31 ? 109 ASP C CB 1 ATOM 2572 C CG . ASP B 2 109 ? 0.665 -26.237 71.087 1.00 56.39 ? 109 ASP C CG 1 ATOM 2573 O OD1 . ASP B 2 109 ? 1.235 -25.620 70.158 1.00 56.53 ? 109 ASP C OD1 1 ATOM 2574 O OD2 . ASP B 2 109 ? -0.546 -26.102 71.331 1.00 58.22 ? 109 ASP C OD2 1 ATOM 2575 N N . ALA B 2 110 ? 4.583 -27.983 72.781 1.00 53.57 ? 110 ALA C N 1 ATOM 2576 C CA . ALA B 2 110 ? 5.373 -28.558 73.868 1.00 53.11 ? 110 ALA C CA 1 ATOM 2577 C C . ALA B 2 110 ? 5.484 -27.534 75.007 1.00 51.58 ? 110 ALA C C 1 ATOM 2578 O O . ALA B 2 110 ? 5.634 -26.329 74.774 1.00 49.94 ? 110 ALA C O 1 ATOM 2579 C CB . ALA B 2 110 ? 6.754 -28.955 73.368 1.00 52.87 ? 110 ALA C CB 1 ATOM 2580 N N . ALA B 2 111 ? 5.394 -28.029 76.237 1.00 52.10 ? 111 ALA C N 1 ATOM 2581 C CA . ALA B 2 111 ? 5.525 -27.198 77.441 1.00 50.84 ? 111 ALA C CA 1 ATOM 2582 C C . ALA B 2 111 ? 7.001 -27.142 77.832 1.00 49.58 ? 111 ALA C C 1 ATOM 2583 O O . ALA B 2 111 ? 7.720 -28.141 77.682 1.00 49.35 ? 111 ALA C O 1 ATOM 2584 C CB . ALA B 2 111 ? 4.685 -27.762 78.585 1.00 50.82 ? 111 ALA C CB 1 ATOM 2585 N N . PRO B 2 112 ? 7.464 -25.972 78.311 1.00 47.99 ? 112 PRO C N 1 ATOM 2586 C CA . PRO B 2 112 ? 8.850 -25.884 78.768 1.00 48.20 ? 112 PRO C CA 1 ATOM 2587 C C . PRO B 2 112 ? 9.095 -26.647 80.063 1.00 49.45 ? 112 PRO C C 1 ATOM 2588 O O . PRO B 2 112 ? 8.241 -26.635 80.944 1.00 50.01 ? 112 PRO C O 1 ATOM 2589 C CB . PRO B 2 112 ? 9.053 -24.381 78.998 1.00 46.98 ? 112 PRO C CB 1 ATOM 2590 C CG . PRO B 2 112 ? 7.693 -23.826 79.199 1.00 46.43 ? 112 PRO C CG 1 ATOM 2591 C CD . PRO B 2 112 ? 6.785 -24.663 78.353 1.00 46.74 ? 112 PRO C CD 1 ATOM 2592 N N . THR B 2 113 ? 10.241 -27.324 80.151 1.00 50.51 ? 113 THR C N 1 ATOM 2593 C CA . THR B 2 113 ? 10.787 -27.774 81.435 1.00 51.65 ? 113 THR C CA 1 ATOM 2594 C C . THR B 2 113 ? 11.542 -26.583 82.012 1.00 51.71 ? 113 THR C C 1 ATOM 2595 O O . THR B 2 113 ? 12.513 -26.114 81.407 1.00 51.35 ? 113 THR C O 1 ATOM 2596 C CB . THR B 2 113 ? 11.731 -28.981 81.279 1.00 51.96 ? 113 THR C CB 1 ATOM 2597 O OG1 . THR B 2 113 ? 10.986 -30.084 80.765 1.00 52.39 ? 113 THR C OG1 1 ATOM 2598 C CG2 . THR B 2 113 ? 12.360 -29.385 82.615 1.00 52.57 ? 113 THR C CG2 1 ATOM 2599 N N . VAL B 2 114 ? 11.076 -26.100 83.167 1.00 52.40 ? 114 VAL C N 1 ATOM 2600 C CA . VAL B 2 114 ? 11.589 -24.876 83.795 1.00 52.39 ? 114 VAL C CA 1 ATOM 2601 C C . VAL B 2 114 ? 12.393 -25.230 85.042 1.00 53.89 ? 114 VAL C C 1 ATOM 2602 O O . VAL B 2 114 ? 11.955 -26.050 85.847 1.00 55.85 ? 114 VAL C O 1 ATOM 2603 C CB . VAL B 2 114 ? 10.435 -23.926 84.199 1.00 51.35 ? 114 VAL C CB 1 ATOM 2604 C CG1 . VAL B 2 114 ? 10.979 -22.577 84.654 1.00 50.87 ? 114 VAL C CG1 1 ATOM 2605 C CG2 . VAL B 2 114 ? 9.447 -23.755 83.049 1.00 50.08 ? 114 VAL C CG2 1 ATOM 2606 N N . SER B 2 115 ? 13.555 -24.600 85.203 1.00 54.17 ? 115 SER C N 1 ATOM 2607 C CA . SER B 2 115 ? 14.394 -24.780 86.396 1.00 55.03 ? 115 SER C CA 1 ATOM 2608 C C . SER B 2 115 ? 15.159 -23.500 86.698 1.00 55.01 ? 115 SER C C 1 ATOM 2609 O O . SER B 2 115 ? 15.577 -22.795 85.779 1.00 54.60 ? 115 SER C O 1 ATOM 2610 C CB . SER B 2 115 ? 15.361 -25.965 86.225 1.00 55.94 ? 115 SER C CB 1 ATOM 2611 O OG . SER B 2 115 ? 16.357 -25.727 85.245 1.00 54.72 ? 115 SER C OG 1 ATOM 2612 N N . ILE B 2 116 ? 15.333 -23.217 87.988 1.00 56.31 ? 116 ILE C N 1 ATOM 2613 C CA . ILE B 2 116 ? 15.997 -21.993 88.473 1.00 56.57 ? 116 ILE C CA 1 ATOM 2614 C C . ILE B 2 116 ? 17.265 -22.400 89.224 1.00 57.49 ? 116 ILE C C 1 ATOM 2615 O O . ILE B 2 116 ? 17.316 -23.480 89.811 1.00 58.76 ? 116 ILE C O 1 ATOM 2616 C CB . ILE B 2 116 ? 15.053 -21.110 89.344 1.00 57.05 ? 116 ILE C CB 1 ATOM 2617 C CG1 . ILE B 2 116 ? 15.757 -19.818 89.797 1.00 57.35 ? 116 ILE C CG1 1 ATOM 2618 C CG2 . ILE B 2 116 ? 14.500 -21.869 90.552 1.00 58.30 ? 116 ILE C CG2 1 ATOM 2619 C CD1 . ILE B 2 116 ? 14.819 -18.770 90.372 1.00 56.96 ? 116 ILE C CD1 1 ATOM 2620 N N . PHE B 2 117 ? 18.289 -21.545 89.161 1.00 57.61 ? 117 PHE C N 1 ATOM 2621 C CA . PHE B 2 117 ? 19.612 -21.797 89.762 1.00 58.37 ? 117 PHE C CA 1 ATOM 2622 C C . PHE B 2 117 ? 20.048 -20.588 90.593 1.00 59.25 ? 117 PHE C C 1 ATOM 2623 O O . PHE B 2 117 ? 19.925 -19.447 90.137 1.00 57.44 ? 117 PHE C O 1 ATOM 2624 C CB . PHE B 2 117 ? 20.664 -22.055 88.679 1.00 57.20 ? 117 PHE C CB 1 ATOM 2625 C CG . PHE B 2 117 ? 20.392 -23.267 87.843 1.00 56.05 ? 117 PHE C CG 1 ATOM 2626 C CD1 . PHE B 2 117 ? 20.804 -24.519 88.268 1.00 56.80 ? 117 PHE C CD1 1 ATOM 2627 C CD2 . PHE B 2 117 ? 19.718 -23.160 86.632 1.00 54.40 ? 117 PHE C CD2 1 ATOM 2628 C CE1 . PHE B 2 117 ? 20.556 -25.651 87.501 1.00 56.76 ? 117 PHE C CE1 1 ATOM 2629 C CE2 . PHE B 2 117 ? 19.469 -24.286 85.857 1.00 54.29 ? 117 PHE C CE2 1 ATOM 2630 C CZ . PHE B 2 117 ? 19.889 -25.536 86.293 1.00 55.27 ? 117 PHE C CZ 1 ATOM 2631 N N . PRO B 2 118 ? 20.567 -20.826 91.813 1.00 62.32 ? 118 PRO C N 1 ATOM 2632 C CA . PRO B 2 118 ? 21.023 -19.681 92.594 1.00 63.59 ? 118 PRO C CA 1 ATOM 2633 C C . PRO B 2 118 ? 22.432 -19.257 92.176 1.00 64.52 ? 118 PRO C C 1 ATOM 2634 O O . PRO B 2 118 ? 23.170 -20.074 91.605 1.00 64.73 ? 118 PRO C O 1 ATOM 2635 C CB . PRO B 2 118 ? 20.994 -20.206 94.032 1.00 65.03 ? 118 PRO C CB 1 ATOM 2636 C CG . PRO B 2 118 ? 21.131 -21.694 93.910 1.00 65.58 ? 118 PRO C CG 1 ATOM 2637 C CD . PRO B 2 118 ? 20.900 -22.098 92.481 1.00 63.84 ? 118 PRO C CD 1 ATOM 2638 N N . PRO B 2 119 ? 22.805 -17.987 92.441 1.00 65.66 ? 119 PRO C N 1 ATOM 2639 C CA . PRO B 2 119 ? 24.160 -17.538 92.099 1.00 67.19 ? 119 PRO C CA 1 ATOM 2640 C C . PRO B 2 119 ? 25.221 -18.314 92.879 1.00 69.83 ? 119 PRO C C 1 ATOM 2641 O O . PRO B 2 119 ? 25.034 -18.585 94.072 1.00 69.64 ? 119 PRO C O 1 ATOM 2642 C CB . PRO B 2 119 ? 24.165 -16.053 92.495 1.00 66.98 ? 119 PRO C CB 1 ATOM 2643 C CG . PRO B 2 119 ? 23.074 -15.910 93.481 1.00 66.75 ? 119 PRO C CG 1 ATOM 2644 C CD . PRO B 2 119 ? 22.035 -16.938 93.132 1.00 65.41 ? 119 PRO C CD 1 ATOM 2645 N N . SER B 2 120 ? 26.310 -18.667 92.196 1.00 71.76 ? 120 SER C N 1 ATOM 2646 C CA . SER B 2 120 ? 27.362 -19.493 92.781 1.00 75.31 ? 120 SER C CA 1 ATOM 2647 C C . SER B 2 120 ? 28.141 -18.722 93.844 1.00 78.92 ? 120 SER C C 1 ATOM 2648 O O . SER B 2 120 ? 28.178 -17.485 93.834 1.00 78.83 ? 120 SER C O 1 ATOM 2649 C CB . SER B 2 120 ? 28.320 -20.004 91.700 1.00 75.65 ? 120 SER C CB 1 ATOM 2650 O OG . SER B 2 120 ? 29.234 -18.997 91.295 1.00 75.76 ? 120 SER C OG 1 ATOM 2651 N N . THR B 2 121 ? 28.758 -19.474 94.755 1.00 82.75 ? 121 THR C N 1 ATOM 2652 C CA . THR B 2 121 ? 29.548 -18.902 95.851 1.00 85.21 ? 121 THR C CA 1 ATOM 2653 C C . THR B 2 121 ? 30.866 -18.323 95.322 1.00 85.83 ? 121 THR C C 1 ATOM 2654 O O . THR B 2 121 ? 31.324 -17.285 95.805 1.00 86.31 ? 121 THR C O 1 ATOM 2655 C CB . THR B 2 121 ? 29.829 -19.939 96.971 1.00 87.42 ? 121 THR C CB 1 ATOM 2656 O OG1 . THR B 2 121 ? 30.628 -21.016 96.463 1.00 88.78 ? 121 THR C OG1 1 ATOM 2657 C CG2 . THR B 2 121 ? 28.524 -20.499 97.532 1.00 86.73 ? 121 THR C CG2 1 ATOM 2658 N N . GLU B 2 122 ? 31.457 -18.994 94.328 1.00 86.08 ? 122 GLU C N 1 ATOM 2659 C CA . GLU B 2 122 ? 32.647 -18.479 93.631 1.00 87.34 ? 122 GLU C CA 1 ATOM 2660 C C . GLU B 2 122 ? 32.377 -17.097 93.052 1.00 86.16 ? 122 GLU C C 1 ATOM 2661 O O . GLU B 2 122 ? 33.191 -16.188 93.196 1.00 89.12 ? 122 GLU C O 1 ATOM 2662 C CB . GLU B 2 122 ? 33.093 -19.397 92.487 1.00 87.31 ? 122 GLU C CB 1 ATOM 2663 C CG . GLU B 2 122 ? 33.412 -20.837 92.875 1.00 89.16 ? 122 GLU C CG 1 ATOM 2664 C CD . GLU B 2 122 ? 32.387 -21.830 92.348 1.00 87.69 ? 122 GLU C CD 1 ATOM 2665 O OE1 . GLU B 2 122 ? 32.779 -22.751 91.595 1.00 86.85 ? 122 GLU C OE1 1 ATOM 2666 O OE2 . GLU B 2 122 ? 31.192 -21.678 92.685 1.00 86.37 ? 122 GLU C OE2 1 ATOM 2667 N N . GLN B 2 123 ? 31.224 -16.952 92.404 1.00 83.49 ? 123 GLN C N 1 ATOM 2668 C CA . GLN B 2 123 ? 30.815 -15.683 91.811 1.00 81.90 ? 123 GLN C CA 1 ATOM 2669 C C . GLN B 2 123 ? 30.643 -14.572 92.842 1.00 84.54 ? 123 GLN C C 1 ATOM 2670 O O . GLN B 2 123 ? 31.164 -13.469 92.658 1.00 85.78 ? 123 GLN C O 1 ATOM 2671 C CB . GLN B 2 123 ? 29.511 -15.859 91.040 1.00 77.65 ? 123 GLN C CB 1 ATOM 2672 C CG . GLN B 2 123 ? 29.071 -14.614 90.293 1.00 75.20 ? 123 GLN C CG 1 ATOM 2673 C CD . GLN B 2 123 ? 27.776 -14.798 89.538 1.00 72.42 ? 123 GLN C CD 1 ATOM 2674 O OE1 . GLN B 2 123 ? 27.277 -13.847 88.940 1.00 70.96 ? 123 GLN C OE1 1 ATOM 2675 N NE2 . GLN B 2 123 ? 27.215 -16.011 89.569 1.00 70.28 ? 123 GLN C NE2 1 ATOM 2676 N N . LEU B 2 124 ? 29.906 -14.869 93.912 1.00 86.18 ? 124 LEU C N 1 ATOM 2677 C CA . LEU B 2 124 ? 29.602 -13.885 94.958 1.00 87.41 ? 124 LEU C CA 1 ATOM 2678 C C . LEU B 2 124 ? 30.843 -13.180 95.522 1.00 89.92 ? 124 LEU C C 1 ATOM 2679 O O . LEU B 2 124 ? 30.768 -12.003 95.881 1.00 91.37 ? 124 LEU C O 1 ATOM 2680 C CB . LEU B 2 124 ? 28.792 -14.535 96.090 1.00 88.53 ? 124 LEU C CB 1 ATOM 2681 C CG . LEU B 2 124 ? 27.311 -14.806 95.781 1.00 86.81 ? 124 LEU C CG 1 ATOM 2682 C CD1 . LEU B 2 124 ? 26.727 -15.841 96.735 1.00 86.93 ? 124 LEU C CD1 1 ATOM 2683 C CD2 . LEU B 2 124 ? 26.499 -13.516 95.824 1.00 85.95 ? 124 LEU C CD2 1 ATOM 2684 N N . ALA B 2 125 ? 31.971 -13.893 95.575 1.00 90.63 ? 125 ALA C N 1 ATOM 2685 C CA . ALA B 2 125 ? 33.259 -13.318 95.977 1.00 91.83 ? 125 ALA C CA 1 ATOM 2686 C C . ALA B 2 125 ? 33.687 -12.096 95.150 1.00 90.90 ? 125 ALA C C 1 ATOM 2687 O O . ALA B 2 125 ? 34.291 -11.174 95.690 1.00 92.41 ? 125 ALA C O 1 ATOM 2688 C CB . ALA B 2 125 ? 34.345 -14.385 95.933 1.00 93.28 ? 125 ALA C CB 1 ATOM 2689 N N . THR B 2 126 ? 33.359 -12.079 93.859 1.00 89.10 ? 126 THR C N 1 ATOM 2690 C CA . THR B 2 126 ? 33.696 -10.944 92.976 1.00 88.71 ? 126 THR C CA 1 ATOM 2691 C C . THR B 2 126 ? 32.846 -9.680 93.218 1.00 88.65 ? 126 THR C C 1 ATOM 2692 O O . THR B 2 126 ? 33.171 -8.614 92.688 1.00 88.48 ? 126 THR C O 1 ATOM 2693 C CB . THR B 2 126 ? 33.558 -11.309 91.477 1.00 86.73 ? 126 THR C CB 1 ATOM 2694 O OG1 . THR B 2 126 ? 32.172 -11.439 91.126 1.00 83.85 ? 126 THR C OG1 1 ATOM 2695 C CG2 . THR B 2 126 ? 34.304 -12.607 91.141 1.00 87.12 ? 126 THR C CG2 1 ATOM 2696 N N . GLY B 2 127 ? 31.759 -9.808 93.985 1.00 88.17 ? 127 GLY C N 1 ATOM 2697 C CA . GLY B 2 127 ? 30.834 -8.704 94.253 1.00 87.76 ? 127 GLY C CA 1 ATOM 2698 C C . GLY B 2 127 ? 29.749 -8.558 93.193 1.00 85.70 ? 127 GLY C C 1 ATOM 2699 O O . GLY B 2 127 ? 29.288 -7.446 92.917 1.00 85.59 ? 127 GLY C O 1 ATOM 2700 N N . GLY B 2 128 ? 29.346 -9.683 92.600 1.00 83.52 ? 128 GLY C N 1 ATOM 2701 C CA . GLY B 2 128 ? 28.227 -9.735 91.658 1.00 80.85 ? 128 GLY C CA 1 ATOM 2702 C C . GLY B 2 128 ? 27.410 -10.994 91.883 1.00 79.50 ? 128 GLY C C 1 ATOM 2703 O O . GLY B 2 128 ? 27.912 -11.976 92.438 1.00 80.47 ? 128 GLY C O 1 ATOM 2704 N N . ALA B 2 129 ? 26.149 -10.966 91.458 1.00 76.80 ? 129 ALA C N 1 ATOM 2705 C CA . ALA B 2 129 ? 25.263 -12.121 91.586 1.00 75.02 ? 129 ALA C CA 1 ATOM 2706 C C . ALA B 2 129 ? 24.399 -12.289 90.333 1.00 72.33 ? 129 ALA C C 1 ATOM 2707 O O . ALA B 2 129 ? 23.671 -11.375 89.947 1.00 71.63 ? 129 ALA C O 1 ATOM 2708 C CB . ALA B 2 129 ? 24.394 -11.972 92.823 1.00 75.37 ? 129 ALA C CB 1 ATOM 2709 N N . SER B 2 130 ? 24.492 -13.460 89.709 1.00 70.58 ? 130 SER C N 1 ATOM 2710 C CA . SER B 2 130 ? 23.693 -13.796 88.535 1.00 68.64 ? 130 SER C CA 1 ATOM 2711 C C . SER B 2 130 ? 22.735 -14.934 88.880 1.00 67.78 ? 130 SER C C 1 ATOM 2712 O O . SER B 2 130 ? 23.161 -16.029 89.258 1.00 68.26 ? 130 SER C O 1 ATOM 2713 C CB . SER B 2 130 ? 24.584 -14.180 87.351 1.00 67.81 ? 130 SER C CB 1 ATOM 2714 O OG . SER B 2 130 ? 25.262 -13.039 86.847 1.00 67.71 ? 130 SER C OG 1 ATOM 2715 N N . VAL B 2 131 ? 21.441 -14.651 88.755 1.00 65.93 ? 131 VAL C N 1 ATOM 2716 C CA . VAL B 2 131 ? 20.393 -15.636 88.958 1.00 65.55 ? 131 VAL C CA 1 ATOM 2717 C C . VAL B 2 131 ? 19.904 -16.066 87.582 1.00 63.28 ? 131 VAL C C 1 ATOM 2718 O O . VAL B 2 131 ? 19.592 -15.211 86.760 1.00 61.68 ? 131 VAL C O 1 ATOM 2719 C CB . VAL B 2 131 ? 19.218 -15.033 89.753 1.00 65.72 ? 131 VAL C CB 1 ATOM 2720 C CG1 . VAL B 2 131 ? 18.272 -16.137 90.206 1.00 65.87 ? 131 VAL C CG1 1 ATOM 2721 C CG2 . VAL B 2 131 ? 19.732 -14.238 90.944 1.00 66.84 ? 131 VAL C CG2 1 ATOM 2722 N N . VAL B 2 132 ? 19.826 -17.373 87.334 1.00 63.27 ? 132 VAL C N 1 ATOM 2723 C CA . VAL B 2 132 ? 19.482 -17.872 85.993 1.00 64.28 ? 132 VAL C CA 1 ATOM 2724 C C . VAL B 2 132 ? 18.324 -18.869 86.003 1.00 64.28 ? 132 VAL C C 1 ATOM 2725 O O . VAL B 2 132 ? 18.271 -19.774 86.841 1.00 63.70 ? 132 VAL C O 1 ATOM 2726 C CB . VAL B 2 132 ? 20.711 -18.455 85.225 1.00 64.75 ? 132 VAL C CB 1 ATOM 2727 C CG1 . VAL B 2 132 ? 21.313 -19.662 85.929 1.00 66.75 ? 132 VAL C CG1 1 ATOM 2728 C CG2 . VAL B 2 132 ? 20.342 -18.811 83.792 1.00 63.14 ? 132 VAL C CG2 1 ATOM 2729 N N . CYS B 2 133 ? 17.422 -18.681 85.037 1.00 64.09 ? 133 CYS C N 1 ATOM 2730 C CA . CYS B 2 133 ? 16.245 -19.513 84.834 1.00 64.08 ? 133 CYS C CA 1 ATOM 2731 C C . CYS B 2 133 ? 16.322 -20.106 83.428 1.00 62.16 ? 133 CYS C C 1 ATOM 2732 O O . CYS B 2 133 ? 16.561 -19.367 82.472 1.00 60.21 ? 133 CYS C O 1 ATOM 2733 C CB . CYS B 2 133 ? 14.998 -18.647 84.980 1.00 64.72 ? 133 CYS C CB 1 ATOM 2734 S SG . CYS B 2 133 ? 13.460 -19.575 85.067 1.00 66.87 ? 133 CYS C SG 1 ATOM 2735 N N . LEU B 2 134 ? 16.136 -21.424 83.312 1.00 61.72 ? 134 LEU C N 1 ATOM 2736 C CA . LEU B 2 134 ? 16.235 -22.139 82.032 1.00 61.59 ? 134 LEU C CA 1 ATOM 2737 C C . LEU B 2 134 ? 14.915 -22.811 81.644 1.00 61.60 ? 134 LEU C C 1 ATOM 2738 O O . LEU B 2 134 ? 14.429 -23.695 82.357 1.00 62.79 ? 134 LEU C O 1 ATOM 2739 C CB . LEU B 2 134 ? 17.321 -23.213 82.098 1.00 62.58 ? 134 LEU C CB 1 ATOM 2740 C CG . LEU B 2 134 ? 18.740 -22.791 82.485 1.00 63.90 ? 134 LEU C CG 1 ATOM 2741 C CD1 . LEU B 2 134 ? 19.671 -23.970 82.264 1.00 65.11 ? 134 LEU C CD1 1 ATOM 2742 C CD2 . LEU B 2 134 ? 19.236 -21.585 81.703 1.00 62.86 ? 134 LEU C CD2 1 ATOM 2743 N N . MET B 2 135 ? 14.357 -22.398 80.506 1.00 60.14 ? 135 MET C N 1 ATOM 2744 C CA . MET B 2 135 ? 13.136 -22.986 79.947 1.00 59.30 ? 135 MET C CA 1 ATOM 2745 C C . MET B 2 135 ? 13.525 -23.798 78.714 1.00 57.60 ? 135 MET C C 1 ATOM 2746 O O . MET B 2 135 ? 13.790 -23.231 77.662 1.00 56.23 ? 135 MET C O 1 ATOM 2747 C CB . MET B 2 135 ? 12.157 -21.878 79.566 1.00 59.58 ? 135 MET C CB 1 ATOM 2748 C CG . MET B 2 135 ? 11.773 -20.962 80.723 1.00 61.13 ? 135 MET C CG 1 ATOM 2749 S SD . MET B 2 135 ? 11.967 -19.198 80.360 1.00 61.66 ? 135 MET C SD 1 ATOM 2750 C CE . MET B 2 135 ? 13.725 -18.981 80.625 1.00 61.74 ? 135 MET C CE 1 ATOM 2751 N N . ASN B 2 136 ? 13.577 -25.123 78.856 1.00 56.95 ? 136 ASN C N 1 ATOM 2752 C CA . ASN B 2 136 ? 14.070 -26.008 77.796 1.00 55.60 ? 136 ASN C CA 1 ATOM 2753 C C . ASN B 2 136 ? 12.941 -26.720 77.041 1.00 53.98 ? 136 ASN C C 1 ATOM 2754 O O . ASN B 2 136 ? 11.941 -27.120 77.628 1.00 53.92 ? 136 ASN C O 1 ATOM 2755 C CB . ASN B 2 136 ? 15.046 -27.037 78.386 1.00 56.95 ? 136 ASN C CB 1 ATOM 2756 C CG . ASN B 2 136 ? 16.319 -26.400 78.928 1.00 56.95 ? 136 ASN C CG 1 ATOM 2757 O OD1 . ASN B 2 136 ? 16.475 -25.184 78.892 1.00 56.79 ? 136 ASN C OD1 1 ATOM 2758 N ND2 . ASN B 2 136 ? 17.235 -27.224 79.434 1.00 57.58 ? 136 ASN C ND2 1 ATOM 2759 N N . ASN B 2 137 ? 13.119 -26.844 75.728 1.00 52.06 ? 137 ASN C N 1 ATOM 2760 C CA . ASN B 2 137 ? 12.271 -27.661 74.863 1.00 51.66 ? 137 ASN C CA 1 ATOM 2761 C C . ASN B 2 137 ? 10.783 -27.290 74.877 1.00 50.87 ? 137 ASN C C 1 ATOM 2762 O O . ASN B 2 137 ? 9.968 -28.006 75.443 1.00 52.90 ? 137 ASN C O 1 ATOM 2763 C CB . ASN B 2 137 ? 12.473 -29.146 75.193 1.00 52.87 ? 137 ASN C CB 1 ATOM 2764 C CG . ASN B 2 137 ? 13.936 -29.553 75.159 1.00 53.77 ? 137 ASN C CG 1 ATOM 2765 O OD1 . ASN B 2 137 ? 14.552 -29.613 74.095 1.00 54.03 ? 137 ASN C OD1 1 ATOM 2766 N ND2 . ASN B 2 137 ? 14.501 -29.826 76.325 1.00 54.65 ? 137 ASN C ND2 1 ATOM 2767 N N . PHE B 2 138 ? 10.428 -26.183 74.231 1.00 48.91 ? 138 PHE C N 1 ATOM 2768 C CA . PHE B 2 138 ? 9.023 -25.786 74.106 1.00 48.23 ? 138 PHE C CA 1 ATOM 2769 C C . PHE B 2 138 ? 8.668 -25.362 72.679 1.00 47.90 ? 138 PHE C C 1 ATOM 2770 O O . PHE B 2 138 ? 9.544 -25.105 71.857 1.00 46.99 ? 138 PHE C O 1 ATOM 2771 C CB . PHE B 2 138 ? 8.681 -24.688 75.114 1.00 47.65 ? 138 PHE C CB 1 ATOM 2772 C CG . PHE B 2 138 ? 9.541 -23.459 74.998 1.00 46.90 ? 138 PHE C CG 1 ATOM 2773 C CD1 . PHE B 2 138 ? 10.791 -23.397 75.614 1.00 46.38 ? 138 PHE C CD1 1 ATOM 2774 C CD2 . PHE B 2 138 ? 9.093 -22.353 74.272 1.00 45.91 ? 138 PHE C CD2 1 ATOM 2775 C CE1 . PHE B 2 138 ? 11.574 -22.264 75.492 1.00 45.71 ? 138 PHE C CE1 1 ATOM 2776 C CE2 . PHE B 2 138 ? 9.872 -21.217 74.155 1.00 44.99 ? 138 PHE C CE2 1 ATOM 2777 C CZ . PHE B 2 138 ? 11.116 -21.175 74.768 1.00 45.21 ? 138 PHE C CZ 1 ATOM 2778 N N . TYR B 2 139 ? 7.368 -25.356 72.391 1.00 48.34 ? 139 TYR C N 1 ATOM 2779 C CA . TYR B 2 139 ? 6.820 -24.851 71.125 1.00 48.28 ? 139 TYR C CA 1 ATOM 2780 C C . TYR B 2 139 ? 5.365 -24.417 71.381 1.00 47.73 ? 139 TYR C C 1 ATOM 2781 O O . TYR B 2 139 ? 4.640 -25.144 72.051 1.00 46.23 ? 139 TYR C O 1 ATOM 2782 C CB . TYR B 2 139 ? 6.893 -25.911 70.010 1.00 49.04 ? 139 TYR C CB 1 ATOM 2783 C CG . TYR B 2 139 ? 6.495 -25.385 68.633 1.00 48.57 ? 139 TYR C CG 1 ATOM 2784 C CD1 . TYR B 2 139 ? 5.149 -25.307 68.253 1.00 48.91 ? 139 TYR C CD1 1 ATOM 2785 C CD2 . TYR B 2 139 ? 7.456 -24.949 67.718 1.00 48.07 ? 139 TYR C CD2 1 ATOM 2786 C CE1 . TYR B 2 139 ? 4.777 -24.810 67.012 1.00 48.41 ? 139 TYR C CE1 1 ATOM 2787 C CE2 . TYR B 2 139 ? 7.090 -24.459 66.468 1.00 47.38 ? 139 TYR C CE2 1 ATOM 2788 C CZ . TYR B 2 139 ? 5.749 -24.388 66.125 1.00 47.70 ? 139 TYR C CZ 1 ATOM 2789 O OH . TYR B 2 139 ? 5.360 -23.910 64.898 1.00 47.85 ? 139 TYR C OH 1 ATOM 2790 N N . PRO B 2 140 ? 4.922 -23.263 70.875 1.00 49.30 ? 140 PRO C N 1 ATOM 2791 C CA . PRO B 2 140 ? 5.666 -22.354 69.980 1.00 50.28 ? 140 PRO C CA 1 ATOM 2792 C C . PRO B 2 140 ? 6.738 -21.506 70.678 1.00 51.95 ? 140 PRO C C 1 ATOM 2793 O O . PRO B 2 140 ? 7.114 -21.813 71.796 1.00 50.69 ? 140 PRO C O 1 ATOM 2794 C CB . PRO B 2 140 ? 4.556 -21.467 69.376 1.00 49.55 ? 140 PRO C CB 1 ATOM 2795 C CG . PRO B 2 140 ? 3.362 -21.662 70.223 1.00 49.91 ? 140 PRO C CG 1 ATOM 2796 C CD . PRO B 2 140 ? 3.472 -23.031 70.818 1.00 50.42 ? 140 PRO C CD 1 ATOM 2797 N N . ARG B 2 141 ? 7.264 -20.497 69.980 1.00 55.76 ? 141 ARG C N 1 ATOM 2798 C CA . ARG B 2 141 ? 8.172 -19.495 70.558 1.00 59.08 ? 141 ARG C CA 1 ATOM 2799 C C . ARG B 2 141 ? 7.350 -18.294 71.017 1.00 59.73 ? 141 ARG C C 1 ATOM 2800 O O . ARG B 2 141 ? 7.407 -17.206 70.447 1.00 62.28 ? 141 ARG C O 1 ATOM 2801 C CB . ARG B 2 141 ? 9.231 -19.090 69.531 1.00 61.16 ? 141 ARG C CB 1 ATOM 2802 C CG . ARG B 2 141 ? 10.294 -18.146 70.067 1.00 63.61 ? 141 ARG C CG 1 ATOM 2803 C CD . ARG B 2 141 ? 11.598 -18.330 69.320 1.00 65.88 ? 141 ARG C CD 1 ATOM 2804 N NE . ARG B 2 141 ? 11.470 -17.988 67.902 1.00 67.46 ? 141 ARG C NE 1 ATOM 2805 C CZ . ARG B 2 141 ? 12.006 -16.918 67.301 1.00 70.09 ? 141 ARG C CZ 1 ATOM 2806 N NH1 . ARG B 2 141 ? 12.746 -16.023 67.973 1.00 71.21 ? 141 ARG C NH1 1 ATOM 2807 N NH2 . ARG B 2 141 ? 11.802 -16.739 65.994 1.00 70.23 ? 141 ARG C NH2 1 ATOM 2808 N N . ASP B 2 142 ? 6.564 -18.527 72.052 1.00 60.64 ? 142 ASP C N 1 ATOM 2809 C CA . ASP B 2 142 ? 5.610 -17.561 72.568 1.00 61.22 ? 142 ASP C CA 1 ATOM 2810 C C . ASP B 2 142 ? 5.686 -17.701 74.069 1.00 60.43 ? 142 ASP C C 1 ATOM 2811 O O . ASP B 2 142 ? 4.876 -18.412 74.689 1.00 62.04 ? 142 ASP C O 1 ATOM 2812 C CB . ASP B 2 142 ? 4.194 -17.872 72.063 1.00 63.20 ? 142 ASP C CB 1 ATOM 2813 C CG . ASP B 2 142 ? 3.784 -17.005 70.907 1.00 64.61 ? 142 ASP C CG 1 ATOM 2814 O OD1 . ASP B 2 142 ? 4.523 -16.967 69.892 1.00 64.91 ? 142 ASP C OD1 1 ATOM 2815 O OD2 . ASP B 2 142 ? 2.707 -16.366 71.026 1.00 65.78 ? 142 ASP C OD2 1 ATOM 2816 N N . ILE B 2 143 ? 6.683 -17.040 74.642 1.00 58.21 ? 143 ILE C N 1 ATOM 2817 C CA . ILE B 2 143 ? 7.042 -17.268 76.024 1.00 57.65 ? 143 ILE C CA 1 ATOM 2818 C C . ILE B 2 143 ? 7.470 -15.956 76.684 1.00 57.81 ? 143 ILE C C 1 ATOM 2819 O O . ILE B 2 143 ? 8.385 -15.287 76.219 1.00 58.18 ? 143 ILE C O 1 ATOM 2820 C CB . ILE B 2 143 ? 8.105 -18.401 76.115 1.00 56.73 ? 143 ILE C CB 1 ATOM 2821 C CG1 . ILE B 2 143 ? 8.086 -19.075 77.490 1.00 56.40 ? 143 ILE C CG1 1 ATOM 2822 C CG2 . ILE B 2 143 ? 9.502 -17.914 75.736 1.00 56.75 ? 143 ILE C CG2 1 ATOM 2823 C CD1 . ILE B 2 143 ? 8.948 -20.318 77.570 1.00 56.41 ? 143 ILE C CD1 1 ATOM 2824 N N . SER B 2 144 ? 6.750 -15.573 77.736 1.00 58.34 ? 144 SER C N 1 ATOM 2825 C CA . SER B 2 144 ? 7.095 -14.425 78.564 1.00 58.37 ? 144 SER C CA 1 ATOM 2826 C C . SER B 2 144 ? 7.681 -14.939 79.879 1.00 58.10 ? 144 SER C C 1 ATOM 2827 O O . SER B 2 144 ? 7.081 -15.805 80.532 1.00 56.78 ? 144 SER C O 1 ATOM 2828 C CB . SER B 2 144 ? 5.853 -13.566 78.833 1.00 59.26 ? 144 SER C CB 1 ATOM 2829 O OG . SER B 2 144 ? 5.300 -13.055 77.623 1.00 59.12 ? 144 SER C OG 1 ATOM 2830 N N . VAL B 2 145 ? 8.860 -14.417 80.234 1.00 57.74 ? 145 VAL C N 1 ATOM 2831 C CA . VAL B 2 145 ? 9.500 -14.641 81.540 1.00 58.21 ? 145 VAL C CA 1 ATOM 2832 C C . VAL B 2 145 ? 9.318 -13.387 82.399 1.00 57.68 ? 145 VAL C C 1 ATOM 2833 O O . VAL B 2 145 ? 9.301 -12.270 81.888 1.00 56.09 ? 145 VAL C O 1 ATOM 2834 C CB . VAL B 2 145 ? 11.021 -14.910 81.419 1.00 58.76 ? 145 VAL C CB 1 ATOM 2835 C CG1 . VAL B 2 145 ? 11.563 -15.547 82.693 1.00 59.22 ? 145 VAL C CG1 1 ATOM 2836 C CG2 . VAL B 2 145 ? 11.327 -15.792 80.217 1.00 59.71 ? 145 VAL C CG2 1 ATOM 2837 N N . LYS B 2 146 ? 9.207 -13.583 83.704 1.00 58.68 ? 146 LYS C N 1 ATOM 2838 C CA . LYS B 2 146 ? 9.057 -12.480 84.642 1.00 60.25 ? 146 LYS C CA 1 ATOM 2839 C C . LYS B 2 146 ? 9.770 -12.832 85.947 1.00 59.83 ? 146 LYS C C 1 ATOM 2840 O O . LYS B 2 146 ? 9.446 -13.838 86.582 1.00 59.26 ? 146 LYS C O 1 ATOM 2841 C CB . LYS B 2 146 ? 7.568 -12.220 84.879 1.00 62.35 ? 146 LYS C CB 1 ATOM 2842 C CG . LYS B 2 146 ? 7.246 -10.939 85.629 1.00 64.63 ? 146 LYS C CG 1 ATOM 2843 C CD . LYS B 2 146 ? 5.797 -10.919 86.098 1.00 65.58 ? 146 LYS C CD 1 ATOM 2844 C CE . LYS B 2 146 ? 4.826 -10.769 84.935 1.00 65.61 ? 146 LYS C CE 1 ATOM 2845 N NZ . LYS B 2 146 ? 3.432 -10.657 85.450 1.00 66.43 ? 146 LYS C NZ 1 ATOM 2846 N N . TRP B 2 147 ? 10.751 -12.009 86.313 1.00 59.73 ? 147 TRP C N 1 ATOM 2847 C CA . TRP B 2 147 ? 11.468 -12.123 87.587 1.00 60.88 ? 147 TRP C CA 1 ATOM 2848 C C . TRP B 2 147 ? 10.761 -11.311 88.666 1.00 61.99 ? 147 TRP C C 1 ATOM 2849 O O . TRP B 2 147 ? 10.385 -10.172 88.405 1.00 61.80 ? 147 TRP C O 1 ATOM 2850 C CB . TRP B 2 147 ? 12.883 -11.574 87.436 1.00 60.46 ? 147 TRP C CB 1 ATOM 2851 C CG . TRP B 2 147 ? 13.778 -12.464 86.694 1.00 60.46 ? 147 TRP C CG 1 ATOM 2852 C CD1 . TRP B 2 147 ? 14.169 -12.345 85.388 1.00 60.21 ? 147 TRP C CD1 1 ATOM 2853 C CD2 . TRP B 2 147 ? 14.420 -13.631 87.203 1.00 60.82 ? 147 TRP C CD2 1 ATOM 2854 N NE1 . TRP B 2 147 ? 15.018 -13.372 85.054 1.00 59.92 ? 147 TRP C NE1 1 ATOM 2855 C CE2 . TRP B 2 147 ? 15.191 -14.176 86.150 1.00 60.55 ? 147 TRP C CE2 1 ATOM 2856 C CE3 . TRP B 2 147 ? 14.421 -14.273 88.449 1.00 61.47 ? 147 TRP C CE3 1 ATOM 2857 C CZ2 . TRP B 2 147 ? 15.954 -15.337 86.306 1.00 61.21 ? 147 TRP C CZ2 1 ATOM 2858 C CZ3 . TRP B 2 147 ? 15.181 -15.427 88.605 1.00 62.25 ? 147 TRP C CZ3 1 ATOM 2859 C CH2 . TRP B 2 147 ? 15.938 -15.947 87.536 1.00 62.25 ? 147 TRP C CH2 1 ATOM 2860 N N . LYS B 2 148 ? 10.594 -11.878 89.866 1.00 63.84 ? 148 LYS C N 1 ATOM 2861 C CA . LYS B 2 148 ? 10.094 -11.114 91.025 1.00 65.81 ? 148 LYS C CA 1 ATOM 2862 C C . LYS B 2 148 ? 10.996 -11.279 92.249 1.00 67.36 ? 148 LYS C C 1 ATOM 2863 O O . LYS B 2 148 ? 11.390 -12.397 92.583 1.00 67.33 ? 148 LYS C O 1 ATOM 2864 C CB . LYS B 2 148 ? 8.661 -11.504 91.393 1.00 66.49 ? 148 LYS C CB 1 ATOM 2865 C CG . LYS B 2 148 ? 7.632 -11.430 90.272 1.00 66.72 ? 148 LYS C CG 1 ATOM 2866 C CD . LYS B 2 148 ? 6.384 -12.241 90.622 1.00 67.71 ? 148 LYS C CD 1 ATOM 2867 C CE . LYS B 2 148 ? 5.116 -11.698 89.967 1.00 67.72 ? 148 LYS C CE 1 ATOM 2868 N NZ . LYS B 2 148 ? 4.551 -10.526 90.701 1.00 67.93 ? 148 LYS C NZ 1 ATOM 2869 N N . ILE B 2 149 ? 11.303 -10.150 92.899 1.00 69.13 ? 149 ILE C N 1 ATOM 2870 C CA . ILE B 2 149 ? 12.119 -10.089 94.128 1.00 70.92 ? 149 ILE C CA 1 ATOM 2871 C C . ILE B 2 149 ? 11.244 -9.618 95.299 1.00 71.23 ? 149 ILE C C 1 ATOM 2872 O O . ILE B 2 149 ? 10.753 -8.488 95.300 1.00 70.60 ? 149 ILE C O 1 ATOM 2873 C CB . ILE B 2 149 ? 13.396 -9.202 93.960 1.00 72.37 ? 149 ILE C CB 1 ATOM 2874 C CG1 . ILE B 2 149 ? 13.093 -7.701 93.730 1.00 72.91 ? 149 ILE C CG1 1 ATOM 2875 C CG2 . ILE B 2 149 ? 14.240 -9.717 92.802 1.00 72.49 ? 149 ILE C CG2 1 ATOM 2876 C CD1 . ILE B 2 149 ? 13.211 -6.813 94.956 1.00 73.41 ? 149 ILE C CD1 1 ATOM 2877 N N . ASP B 2 150 ? 11.039 -10.498 96.282 1.00 72.62 ? 150 ASP C N 1 ATOM 2878 C CA . ASP B 2 150 ? 10.059 -10.281 97.364 1.00 72.99 ? 150 ASP C CA 1 ATOM 2879 C C . ASP B 2 150 ? 8.687 -9.878 96.798 1.00 72.67 ? 150 ASP C C 1 ATOM 2880 O O . ASP B 2 150 ? 8.148 -8.822 97.139 1.00 72.10 ? 150 ASP C O 1 ATOM 2881 C CB . ASP B 2 150 ? 10.551 -9.223 98.368 1.00 74.38 ? 150 ASP C CB 1 ATOM 2882 C CG . ASP B 2 150 ? 11.884 -9.580 99.012 1.00 76.04 ? 150 ASP C CG 1 ATOM 2883 O OD1 . ASP B 2 150 ? 12.390 -10.704 98.798 1.00 76.97 ? 150 ASP C OD1 1 ATOM 2884 O OD2 . ASP B 2 150 ? 12.428 -8.721 99.740 1.00 76.16 ? 150 ASP C OD2 1 ATOM 2885 N N . GLY B 2 151 ? 8.160 -10.690 95.881 1.00 71.91 ? 151 GLY C N 1 ATOM 2886 C CA . GLY B 2 151 ? 6.821 -10.474 95.341 1.00 71.70 ? 151 GLY C CA 1 ATOM 2887 C C . GLY B 2 151 ? 6.615 -9.367 94.307 1.00 72.00 ? 151 GLY C C 1 ATOM 2888 O O . GLY B 2 151 ? 5.614 -9.403 93.593 1.00 71.82 ? 151 GLY C O 1 ATOM 2889 N N . THR B 2 152 ? 7.525 -8.387 94.221 1.00 73.12 ? 152 THR C N 1 ATOM 2890 C CA . THR B 2 152 ? 7.452 -7.322 93.198 1.00 72.54 ? 152 THR C CA 1 ATOM 2891 C C . THR B 2 152 ? 8.425 -7.595 92.049 1.00 72.67 ? 152 THR C C 1 ATOM 2892 O O . THR B 2 152 ? 9.554 -8.039 92.272 1.00 71.95 ? 152 THR C O 1 ATOM 2893 C CB . THR B 2 152 ? 7.752 -5.930 93.787 1.00 72.48 ? 152 THR C CB 1 ATOM 2894 O OG1 . THR B 2 152 ? 9.151 -5.808 94.073 1.00 72.55 ? 152 THR C OG1 1 ATOM 2895 C CG2 . THR B 2 152 ? 6.929 -5.690 95.061 1.00 73.21 ? 152 THR C CG2 1 ATOM 2896 N N . GLU B 2 153 ? 7.994 -7.315 90.822 1.00 73.51 ? 153 GLU C N 1 ATOM 2897 C CA . GLU B 2 153 ? 8.790 -7.678 89.654 1.00 74.24 ? 153 GLU C CA 1 ATOM 2898 C C . GLU B 2 153 ? 9.994 -6.754 89.476 1.00 76.64 ? 153 GLU C C 1 ATOM 2899 O O . GLU B 2 153 ? 9.912 -5.556 89.751 1.00 77.51 ? 153 GLU C O 1 ATOM 2900 C CB . GLU B 2 153 ? 7.943 -7.766 88.374 1.00 72.83 ? 153 GLU C CB 1 ATOM 2901 C CG . GLU B 2 153 ? 7.383 -6.460 87.831 1.00 73.24 ? 153 GLU C CG 1 ATOM 2902 C CD . GLU B 2 153 ? 6.875 -6.609 86.411 1.00 72.95 ? 153 GLU C CD 1 ATOM 2903 O OE1 . GLU B 2 153 ? 6.072 -7.528 86.160 1.00 72.92 ? 153 GLU C OE1 1 ATOM 2904 O OE2 . GLU B 2 153 ? 7.285 -5.814 85.541 1.00 74.17 ? 153 GLU C OE2 1 ATOM 2905 N N . ARG B 2 154 ? 11.112 -7.344 89.058 1.00 78.33 ? 154 ARG C N 1 ATOM 2906 C CA . ARG B 2 154 ? 12.294 -6.611 88.629 1.00 80.42 ? 154 ARG C CA 1 ATOM 2907 C C . ARG B 2 154 ? 12.376 -6.710 87.111 1.00 80.25 ? 154 ARG C C 1 ATOM 2908 O O . ARG B 2 154 ? 12.019 -7.736 86.536 1.00 80.14 ? 154 ARG C O 1 ATOM 2909 C CB . ARG B 2 154 ? 13.551 -7.217 89.261 1.00 82.02 ? 154 ARG C CB 1 ATOM 2910 C CG . ARG B 2 154 ? 14.871 -6.538 88.888 1.00 83.72 ? 154 ARG C CG 1 ATOM 2911 C CD . ARG B 2 154 ? 14.999 -5.124 89.443 1.00 85.41 ? 154 ARG C CD 1 ATOM 2912 N NE . ARG B 2 154 ? 14.993 -5.106 90.910 1.00 87.78 ? 154 ARG C NE 1 ATOM 2913 C CZ . ARG B 2 154 ? 16.018 -5.450 91.698 1.00 88.79 ? 154 ARG C CZ 1 ATOM 2914 N NH1 . ARG B 2 154 ? 17.180 -5.859 91.187 1.00 88.45 ? 154 ARG C NH1 1 ATOM 2915 N NH2 . ARG B 2 154 ? 15.881 -5.390 93.023 1.00 89.50 ? 154 ARG C NH2 1 ATOM 2916 N N . ARG B 2 155 ? 12.840 -5.636 86.479 1.00 81.56 ? 155 ARG C N 1 ATOM 2917 C CA . ARG B 2 155 ? 13.096 -5.608 85.023 1.00 82.57 ? 155 ARG C CA 1 ATOM 2918 C C . ARG B 2 155 ? 14.523 -5.162 84.626 1.00 81.11 ? 155 ARG C C 1 ATOM 2919 O O . ARG B 2 155 ? 14.997 -5.527 83.548 1.00 78.80 ? 155 ARG C O 1 ATOM 2920 C CB . ARG B 2 155 ? 12.003 -4.805 84.279 1.00 85.34 ? 155 ARG C CB 1 ATOM 2921 C CG . ARG B 2 155 ? 12.134 -3.281 84.245 1.00 89.05 ? 155 ARG C CG 1 ATOM 2922 C CD . ARG B 2 155 ? 12.136 -2.656 85.633 1.00 91.82 ? 155 ARG C CD 1 ATOM 2923 N NE . ARG B 2 155 ? 11.698 -1.263 85.633 1.00 94.17 ? 155 ARG C NE 1 ATOM 2924 C CZ . ARG B 2 155 ? 11.716 -0.462 86.698 1.00 96.85 ? 155 ARG C CZ 1 ATOM 2925 N NH1 . ARG B 2 155 ? 12.166 -0.890 87.880 1.00 98.18 ? 155 ARG C NH1 1 ATOM 2926 N NH2 . ARG B 2 155 ? 11.282 0.789 86.580 1.00 98.38 ? 155 ARG C NH2 1 ATOM 2927 N N . ASP B 2 156 ? 15.195 -4.389 85.486 1.00 80.76 ? 156 ASP C N 1 ATOM 2928 C CA . ASP B 2 156 ? 16.585 -3.980 85.274 1.00 80.86 ? 156 ASP C CA 1 ATOM 2929 C C . ASP B 2 156 ? 17.545 -5.129 85.602 1.00 78.02 ? 156 ASP C C 1 ATOM 2930 O O . ASP B 2 156 ? 17.448 -5.737 86.678 1.00 75.87 ? 156 ASP C O 1 ATOM 2931 C CB . ASP B 2 156 ? 16.940 -2.765 86.148 1.00 84.33 ? 156 ASP C CB 1 ATOM 2932 C CG . ASP B 2 156 ? 16.159 -1.506 85.776 1.00 86.46 ? 156 ASP C CG 1 ATOM 2933 O OD1 . ASP B 2 156 ? 15.221 -1.583 84.948 1.00 86.33 ? 156 ASP C OD1 1 ATOM 2934 O OD2 . ASP B 2 156 ? 16.492 -0.431 86.331 1.00 88.35 ? 156 ASP C OD2 1 ATOM 2935 N N . GLY B 2 157 ? 18.471 -5.404 84.677 1.00 74.85 ? 157 GLY C N 1 ATOM 2936 C CA . GLY B 2 157 ? 19.483 -6.459 84.835 1.00 73.51 ? 157 GLY C CA 1 ATOM 2937 C C . GLY B 2 157 ? 19.132 -7.813 84.230 1.00 70.26 ? 157 GLY C C 1 ATOM 2938 O O . GLY B 2 157 ? 19.876 -8.780 84.404 1.00 69.15 ? 157 GLY C O 1 ATOM 2939 N N . VAL B 2 158 ? 18.004 -7.884 83.525 1.00 67.55 ? 158 VAL C N 1 ATOM 2940 C CA . VAL B 2 158 ? 17.565 -9.114 82.868 1.00 65.97 ? 158 VAL C CA 1 ATOM 2941 C C . VAL B 2 158 ? 18.056 -9.114 81.421 1.00 64.35 ? 158 VAL C C 1 ATOM 2942 O O . VAL B 2 158 ? 17.842 -8.142 80.694 1.00 63.31 ? 158 VAL C O 1 ATOM 2943 C CB . VAL B 2 158 ? 16.025 -9.251 82.898 1.00 65.14 ? 158 VAL C CB 1 ATOM 2944 C CG1 . VAL B 2 158 ? 15.584 -10.586 82.299 1.00 64.18 ? 158 VAL C CG1 1 ATOM 2945 C CG2 . VAL B 2 158 ? 15.506 -9.097 84.326 1.00 65.29 ? 158 VAL C CG2 1 ATOM 2946 N N . LEU B 2 159 ? 18.725 -10.201 81.029 1.00 63.75 ? 159 LEU C N 1 ATOM 2947 C CA . LEU B 2 159 ? 19.155 -10.442 79.649 1.00 62.36 ? 159 LEU C CA 1 ATOM 2948 C C . LEU B 2 159 ? 18.634 -11.798 79.180 1.00 60.60 ? 159 LEU C C 1 ATOM 2949 O O . LEU B 2 159 ? 18.886 -12.814 79.831 1.00 60.19 ? 159 LEU C O 1 ATOM 2950 C CB . LEU B 2 159 ? 20.674 -10.446 79.564 1.00 63.24 ? 159 LEU C CB 1 ATOM 2951 C CG . LEU B 2 159 ? 21.394 -9.149 79.927 1.00 64.90 ? 159 LEU C CG 1 ATOM 2952 C CD1 . LEU B 2 159 ? 22.878 -9.445 80.058 1.00 66.46 ? 159 LEU C CD1 1 ATOM 2953 C CD2 . LEU B 2 159 ? 21.153 -8.049 78.902 1.00 64.33 ? 159 LEU C CD2 1 ATOM 2954 N N . ASP B 2 160 ? 17.935 -11.804 78.043 1.00 59.23 ? 160 ASP C N 1 ATOM 2955 C CA . ASP B 2 160 ? 17.300 -13.008 77.490 1.00 58.40 ? 160 ASP C CA 1 ATOM 2956 C C . ASP B 2 160 ? 18.033 -13.493 76.246 1.00 57.21 ? 160 ASP C C 1 ATOM 2957 O O . ASP B 2 160 ? 18.505 -12.680 75.445 1.00 58.51 ? 160 ASP C O 1 ATOM 2958 C CB . ASP B 2 160 ? 15.843 -12.707 77.098 1.00 58.72 ? 160 ASP C CB 1 ATOM 2959 C CG . ASP B 2 160 ? 14.870 -12.747 78.279 1.00 60.29 ? 160 ASP C CG 1 ATOM 2960 O OD1 . ASP B 2 160 ? 15.293 -12.789 79.452 1.00 62.10 ? 160 ASP C OD1 1 ATOM 2961 O OD2 . ASP B 2 160 ? 13.648 -12.720 78.025 1.00 61.49 ? 160 ASP C OD2 1 ATOM 2962 N N . SER B 2 161 ? 18.117 -14.814 76.077 1.00 55.57 ? 161 SER C N 1 ATOM 2963 C CA . SER B 2 161 ? 18.518 -15.406 74.796 1.00 54.38 ? 161 SER C CA 1 ATOM 2964 C C . SER B 2 161 ? 17.762 -16.707 74.514 1.00 53.07 ? 161 SER C C 1 ATOM 2965 O O . SER B 2 161 ? 17.610 -17.567 75.382 1.00 51.34 ? 161 SER C O 1 ATOM 2966 C CB . SER B 2 161 ? 20.039 -15.620 74.702 1.00 54.83 ? 161 SER C CB 1 ATOM 2967 O OG . SER B 2 161 ? 20.518 -16.475 75.724 1.00 56.87 ? 161 SER C OG 1 ATOM 2968 N N . VAL B 2 162 ? 17.293 -16.821 73.274 1.00 52.67 ? 162 VAL C N 1 ATOM 2969 C CA . VAL B 2 162 ? 16.554 -17.972 72.796 1.00 52.41 ? 162 VAL C CA 1 ATOM 2970 C C . VAL B 2 162 ? 17.412 -18.682 71.756 1.00 52.33 ? 162 VAL C C 1 ATOM 2971 O O . VAL B 2 162 ? 18.069 -18.030 70.951 1.00 52.47 ? 162 VAL C O 1 ATOM 2972 C CB . VAL B 2 162 ? 15.229 -17.537 72.142 1.00 51.89 ? 162 VAL C CB 1 ATOM 2973 C CG1 . VAL B 2 162 ? 14.293 -18.734 71.997 1.00 52.13 ? 162 VAL C CG1 1 ATOM 2974 C CG2 . VAL B 2 162 ? 14.568 -16.420 72.951 1.00 51.45 ? 162 VAL C CG2 1 ATOM 2975 N N . THR B 2 163 ? 17.406 -20.010 71.775 1.00 52.73 ? 163 THR C N 1 ATOM 2976 C CA . THR B 2 163 ? 18.120 -20.795 70.773 1.00 53.89 ? 163 THR C CA 1 ATOM 2977 C C . THR B 2 163 ? 17.360 -20.781 69.445 1.00 54.72 ? 163 THR C C 1 ATOM 2978 O O . THR B 2 163 ? 16.226 -20.294 69.370 1.00 53.32 ? 163 THR C O 1 ATOM 2979 C CB . THR B 2 163 ? 18.298 -22.268 71.207 1.00 54.06 ? 163 THR C CB 1 ATOM 2980 O OG1 . THR B 2 163 ? 17.015 -22.864 71.425 1.00 54.05 ? 163 THR C OG1 1 ATOM 2981 C CG2 . THR B 2 163 ? 19.135 -22.377 72.473 1.00 54.58 ? 163 THR C CG2 1 ATOM 2982 N N . ASP B 2 164 ? 18.000 -21.314 68.406 1.00 56.63 ? 164 ASP C N 1 ATOM 2983 C CA . ASP B 2 164 ? 17.306 -21.673 67.165 1.00 58.35 ? 164 ASP C CA 1 ATOM 2984 C C . ASP B 2 164 ? 16.614 -23.017 67.370 1.00 57.51 ? 164 ASP C C 1 ATOM 2985 O O . ASP B 2 164 ? 16.921 -23.736 68.322 1.00 57.23 ? 164 ASP C O 1 ATOM 2986 C CB . ASP B 2 164 ? 18.281 -21.769 65.994 1.00 61.01 ? 164 ASP C CB 1 ATOM 2987 C CG . ASP B 2 164 ? 19.149 -20.528 65.854 1.00 63.97 ? 164 ASP C CG 1 ATOM 2988 O OD1 . ASP B 2 164 ? 18.590 -19.419 65.647 1.00 66.89 ? 164 ASP C OD1 1 ATOM 2989 O OD2 . ASP B 2 164 ? 20.391 -20.669 65.959 1.00 65.48 ? 164 ASP C OD2 1 ATOM 2990 N N . GLN B 2 165 ? 15.683 -23.353 66.481 1.00 57.37 ? 165 GLN C N 1 ATOM 2991 C CA . GLN B 2 165 ? 15.002 -24.650 66.535 1.00 58.56 ? 165 GLN C CA 1 ATOM 2992 C C . GLN B 2 165 ? 16.001 -25.792 66.579 1.00 59.37 ? 165 GLN C C 1 ATOM 2993 O O . GLN B 2 165 ? 17.049 -25.713 65.953 1.00 58.58 ? 165 GLN C O 1 ATOM 2994 C CB . GLN B 2 165 ? 14.064 -24.835 65.341 1.00 58.38 ? 165 GLN C CB 1 ATOM 2995 C CG . GLN B 2 165 ? 12.789 -24.034 65.470 1.00 58.81 ? 165 GLN C CG 1 ATOM 2996 C CD . GLN B 2 165 ? 11.675 -24.530 64.572 1.00 59.53 ? 165 GLN C CD 1 ATOM 2997 O OE1 . GLN B 2 165 ? 11.856 -24.642 63.369 1.00 60.51 ? 165 GLN C OE1 1 ATOM 2998 N NE2 . GLN B 2 165 ? 10.511 -24.816 65.155 1.00 59.35 ? 165 GLN C NE2 1 ATOM 2999 N N . ASP B 2 166 ? 15.688 -26.838 67.337 1.00 62.50 ? 166 ASP C N 1 ATOM 3000 C CA . ASP B 2 166 ? 16.551 -28.017 67.389 1.00 66.19 ? 166 ASP C CA 1 ATOM 3001 C C . ASP B 2 166 ? 16.413 -28.803 66.084 1.00 67.00 ? 166 ASP C C 1 ATOM 3002 O O . ASP B 2 166 ? 15.359 -28.801 65.452 1.00 66.64 ? 166 ASP C O 1 ATOM 3003 C CB . ASP B 2 166 ? 16.204 -28.917 68.586 1.00 68.93 ? 166 ASP C CB 1 ATOM 3004 C CG . ASP B 2 166 ? 17.303 -29.934 68.906 1.00 71.28 ? 166 ASP C CG 1 ATOM 3005 O OD1 . ASP B 2 166 ? 18.499 -29.549 68.889 1.00 71.97 ? 166 ASP C OD1 1 ATOM 3006 O OD2 . ASP B 2 166 ? 16.969 -31.116 69.179 1.00 71.81 ? 166 ASP C OD2 1 ATOM 3007 N N . SER B 2 167 ? 17.493 -29.467 65.690 1.00 68.66 ? 167 SER C N 1 ATOM 3008 C CA . SER B 2 167 ? 17.505 -30.304 64.491 1.00 68.86 ? 167 SER C CA 1 ATOM 3009 C C . SER B 2 167 ? 16.574 -31.511 64.634 1.00 69.19 ? 167 SER C C 1 ATOM 3010 O O . SER B 2 167 ? 15.874 -31.859 63.686 1.00 68.53 ? 167 SER C O 1 ATOM 3011 C CB . SER B 2 167 ? 18.932 -30.778 64.197 1.00 69.80 ? 167 SER C CB 1 ATOM 3012 O OG . SER B 2 167 ? 19.858 -29.714 64.362 1.00 69.91 ? 167 SER C OG 1 ATOM 3013 N N . LYS B 2 168 ? 16.558 -32.130 65.818 1.00 70.02 ? 168 LYS C N 1 ATOM 3014 C CA . LYS B 2 168 ? 15.785 -33.355 66.034 1.00 71.15 ? 168 LYS C CA 1 ATOM 3015 C C . LYS B 2 168 ? 14.300 -33.066 66.282 1.00 69.48 ? 168 LYS C C 1 ATOM 3016 O O . LYS B 2 168 ? 13.469 -33.330 65.408 1.00 70.11 ? 168 LYS C O 1 ATOM 3017 C CB . LYS B 2 168 ? 16.393 -34.209 67.158 1.00 73.08 ? 168 LYS C CB 1 ATOM 3018 C CG . LYS B 2 168 ? 15.903 -35.650 67.150 1.00 75.62 ? 168 LYS C CG 1 ATOM 3019 C CD . LYS B 2 168 ? 16.475 -36.458 68.308 1.00 77.88 ? 168 LYS C CD 1 ATOM 3020 C CE . LYS B 2 168 ? 15.782 -37.812 68.459 1.00 79.14 ? 168 LYS C CE 1 ATOM 3021 N NZ . LYS B 2 168 ? 14.368 -37.703 68.929 1.00 78.66 ? 168 LYS C NZ 1 ATOM 3022 N N . ASP B 2 169 ? 13.974 -32.508 67.450 1.00 67.77 ? 169 ASP C N 1 ATOM 3023 C CA . ASP B 2 169 ? 12.567 -32.340 67.877 1.00 65.15 ? 169 ASP C CA 1 ATOM 3024 C C . ASP B 2 169 ? 11.888 -31.037 67.423 1.00 62.09 ? 169 ASP C C 1 ATOM 3025 O O . ASP B 2 169 ? 10.675 -30.921 67.532 1.00 61.61 ? 169 ASP C O 1 ATOM 3026 C CB . ASP B 2 169 ? 12.420 -32.523 69.406 1.00 65.02 ? 169 ASP C CB 1 ATOM 3027 C CG . ASP B 2 169 ? 13.054 -31.398 70.229 1.00 64.24 ? 169 ASP C CG 1 ATOM 3028 O OD1 . ASP B 2 169 ? 13.537 -30.384 69.668 1.00 63.02 ? 169 ASP C OD1 1 ATOM 3029 O OD2 . ASP B 2 169 ? 13.063 -31.535 71.471 1.00 64.45 ? 169 ASP C OD2 1 ATOM 3030 N N . SER B 2 170 ? 12.669 -30.070 66.943 1.00 60.08 ? 170 SER C N 1 ATOM 3031 C CA . SER B 2 170 ? 12.152 -28.770 66.473 1.00 58.34 ? 170 SER C CA 1 ATOM 3032 C C . SER B 2 170 ? 11.565 -27.864 67.583 1.00 56.37 ? 170 SER C C 1 ATOM 3033 O O . SER B 2 170 ? 10.687 -27.039 67.315 1.00 55.62 ? 170 SER C O 1 ATOM 3034 C CB . SER B 2 170 ? 11.136 -28.965 65.329 1.00 58.32 ? 170 SER C CB 1 ATOM 3035 O OG . SER B 2 170 ? 11.559 -29.982 64.439 1.00 58.74 ? 170 SER C OG 1 ATOM 3036 N N . THR B 2 171 ? 12.067 -28.001 68.811 1.00 54.90 ? 171 THR C N 1 ATOM 3037 C CA . THR B 2 171 ? 11.700 -27.091 69.911 1.00 54.05 ? 171 THR C CA 1 ATOM 3038 C C . THR B 2 171 ? 12.707 -25.944 70.081 1.00 51.76 ? 171 THR C C 1 ATOM 3039 O O . THR B 2 171 ? 13.767 -25.931 69.458 1.00 51.21 ? 171 THR C O 1 ATOM 3040 C CB . THR B 2 171 ? 11.586 -27.843 71.254 1.00 54.52 ? 171 THR C CB 1 ATOM 3041 O OG1 . THR B 2 171 ? 12.843 -28.461 71.570 1.00 54.99 ? 171 THR C OG1 1 ATOM 3042 C CG2 . THR B 2 171 ? 10.477 -28.894 71.188 1.00 54.88 ? 171 THR C CG2 1 ATOM 3043 N N . TYR B 2 172 ? 12.345 -24.988 70.929 1.00 50.51 ? 172 TYR C N 1 ATOM 3044 C CA . TYR B 2 172 ? 13.244 -23.926 71.375 1.00 50.37 ? 172 TYR C CA 1 ATOM 3045 C C . TYR B 2 172 ? 13.611 -24.101 72.844 1.00 49.96 ? 172 TYR C C 1 ATOM 3046 O O . TYR B 2 172 ? 12.985 -24.859 73.569 1.00 50.72 ? 172 TYR C O 1 ATOM 3047 C CB . TYR B 2 172 ? 12.579 -22.565 71.192 1.00 49.73 ? 172 TYR C CB 1 ATOM 3048 C CG . TYR B 2 172 ? 12.124 -22.297 69.782 1.00 49.59 ? 172 TYR C CG 1 ATOM 3049 C CD1 . TYR B 2 172 ? 12.989 -21.720 68.850 1.00 49.66 ? 172 TYR C CD1 1 ATOM 3050 C CD2 . TYR B 2 172 ? 10.827 -22.617 69.368 1.00 49.88 ? 172 TYR C CD2 1 ATOM 3051 C CE1 . TYR B 2 172 ? 12.579 -21.464 67.544 1.00 49.29 ? 172 TYR C CE1 1 ATOM 3052 C CE2 . TYR B 2 172 ? 10.405 -22.367 68.063 1.00 50.02 ? 172 TYR C CE2 1 ATOM 3053 C CZ . TYR B 2 172 ? 11.282 -21.779 67.158 1.00 49.26 ? 172 TYR C CZ 1 ATOM 3054 O OH . TYR B 2 172 ? 10.890 -21.529 65.868 1.00 48.51 ? 172 TYR C OH 1 ATOM 3055 N N . SER B 2 173 ? 14.644 -23.392 73.263 1.00 49.92 ? 173 SER C N 1 ATOM 3056 C CA . SER B 2 173 ? 14.975 -23.241 74.675 1.00 50.84 ? 173 SER C CA 1 ATOM 3057 C C . SER B 2 173 ? 15.240 -21.765 74.940 1.00 50.32 ? 173 SER C C 1 ATOM 3058 O O . SER B 2 173 ? 15.591 -21.037 74.021 1.00 49.02 ? 173 SER C O 1 ATOM 3059 C CB . SER B 2 173 ? 16.205 -24.073 75.023 1.00 51.75 ? 173 SER C CB 1 ATOM 3060 O OG . SER B 2 173 ? 15.983 -25.435 74.720 1.00 52.32 ? 173 SER C OG 1 ATOM 3061 N N . MET B 2 174 ? 15.063 -21.330 76.185 1.00 51.70 ? 174 MET C N 1 ATOM 3062 C CA . MET B 2 174 ? 15.407 -19.957 76.597 1.00 53.18 ? 174 MET C CA 1 ATOM 3063 C C . MET B 2 174 ? 16.199 -19.951 77.907 1.00 53.24 ? 174 MET C C 1 ATOM 3064 O O . MET B 2 174 ? 16.125 -20.891 78.695 1.00 53.96 ? 174 MET C O 1 ATOM 3065 C CB . MET B 2 174 ? 14.136 -19.110 76.740 1.00 53.94 ? 174 MET C CB 1 ATOM 3066 C CG . MET B 2 174 ? 14.353 -17.598 76.781 1.00 54.30 ? 174 MET C CG 1 ATOM 3067 S SD . MET B 2 174 ? 12.777 -16.733 76.984 1.00 57.60 ? 174 MET C SD 1 ATOM 3068 C CE . MET B 2 174 ? 13.046 -15.172 76.146 1.00 57.06 ? 174 MET C CE 1 ATOM 3069 N N . SER B 2 175 ? 16.984 -18.898 78.110 1.00 53.22 ? 175 SER C N 1 ATOM 3070 C CA . SER B 2 175 ? 17.610 -18.629 79.404 1.00 54.54 ? 175 SER C CA 1 ATOM 3071 C C . SER B 2 175 ? 17.564 -17.136 79.686 1.00 54.67 ? 175 SER C C 1 ATOM 3072 O O . SER B 2 175 ? 18.004 -16.343 78.852 1.00 53.70 ? 175 SER C O 1 ATOM 3073 C CB . SER B 2 175 ? 19.059 -19.135 79.449 1.00 55.26 ? 175 SER C CB 1 ATOM 3074 O OG . SER B 2 175 ? 19.925 -18.362 78.638 1.00 55.28 ? 175 SER C OG 1 ATOM 3075 N N . SER B 2 176 ? 17.004 -16.755 80.838 1.00 56.02 ? 176 SER C N 1 ATOM 3076 C CA . SER B 2 176 ? 17.113 -15.375 81.322 1.00 57.07 ? 176 SER C CA 1 ATOM 3077 C C . SER B 2 176 ? 18.044 -15.336 82.530 1.00 58.09 ? 176 SER C C 1 ATOM 3078 O O . SER B 2 176 ? 17.824 -16.055 83.499 1.00 57.54 ? 176 SER C O 1 ATOM 3079 C CB . SER B 2 176 ? 15.746 -14.781 81.660 1.00 56.54 ? 176 SER C CB 1 ATOM 3080 O OG . SER B 2 176 ? 15.224 -15.318 82.846 1.00 58.64 ? 176 SER C OG 1 ATOM 3081 N N . THR B 2 177 ? 19.101 -14.528 82.439 1.00 59.75 ? 177 THR C N 1 ATOM 3082 C CA . THR B 2 177 ? 19.990 -14.255 83.567 1.00 61.79 ? 177 THR C CA 1 ATOM 3083 C C . THR B 2 177 ? 19.657 -12.883 84.156 1.00 61.82 ? 177 THR C C 1 ATOM 3084 O O . THR B 2 177 ? 19.832 -11.858 83.490 1.00 60.65 ? 177 THR C O 1 ATOM 3085 C CB . THR B 2 177 ? 21.482 -14.289 83.160 1.00 63.34 ? 177 THR C CB 1 ATOM 3086 O OG1 . THR B 2 177 ? 21.683 -13.509 81.976 1.00 64.93 ? 177 THR C OG1 1 ATOM 3087 C CG2 . THR B 2 177 ? 21.939 -15.715 82.886 1.00 63.45 ? 177 THR C CG2 1 ATOM 3088 N N . LEU B 2 178 ? 19.154 -12.882 85.393 1.00 62.71 ? 178 LEU C N 1 ATOM 3089 C CA . LEU B 2 178 ? 18.973 -11.654 86.182 1.00 64.20 ? 178 LEU C CA 1 ATOM 3090 C C . LEU B 2 178 ? 20.274 -11.374 86.940 1.00 65.71 ? 178 LEU C C 1 ATOM 3091 O O . LEU B 2 178 ? 20.634 -12.127 87.847 1.00 65.94 ? 178 LEU C O 1 ATOM 3092 C CB . LEU B 2 178 ? 17.787 -11.811 87.154 1.00 64.55 ? 178 LEU C CB 1 ATOM 3093 C CG . LEU B 2 178 ? 17.584 -10.812 88.306 1.00 65.17 ? 178 LEU C CG 1 ATOM 3094 C CD1 . LEU B 2 178 ? 17.407 -9.387 87.811 1.00 65.28 ? 178 LEU C CD1 1 ATOM 3095 C CD2 . LEU B 2 178 ? 16.387 -11.228 89.136 1.00 65.05 ? 178 LEU C CD2 1 ATOM 3096 N N . SER B 2 179 ? 20.977 -10.307 86.564 1.00 67.71 ? 179 SER C N 1 ATOM 3097 C CA . SER B 2 179 ? 22.268 -9.969 87.186 1.00 71.73 ? 179 SER C CA 1 ATOM 3098 C C . SER B 2 179 ? 22.147 -8.739 88.103 1.00 73.33 ? 179 SER C C 1 ATOM 3099 O O . SER B 2 179 ? 21.530 -7.737 87.735 1.00 73.64 ? 179 SER C O 1 ATOM 3100 C CB . SER B 2 179 ? 23.370 -9.786 86.123 1.00 72.13 ? 179 SER C CB 1 ATOM 3101 O OG . SER B 2 179 ? 23.352 -8.498 85.535 1.00 72.56 ? 179 SER C OG 1 ATOM 3102 N N . LEU B 2 180 ? 22.735 -8.840 89.294 1.00 75.35 ? 180 LEU C N 1 ATOM 3103 C CA . LEU B 2 180 ? 22.659 -7.797 90.325 1.00 76.67 ? 180 LEU C CA 1 ATOM 3104 C C . LEU B 2 180 ? 24.017 -7.625 90.990 1.00 77.51 ? 180 LEU C C 1 ATOM 3105 O O . LEU B 2 180 ? 24.955 -8.377 90.714 1.00 77.23 ? 180 LEU C O 1 ATOM 3106 C CB . LEU B 2 180 ? 21.659 -8.195 91.416 1.00 77.32 ? 180 LEU C CB 1 ATOM 3107 C CG . LEU B 2 180 ? 20.349 -8.894 91.039 1.00 77.03 ? 180 LEU C CG 1 ATOM 3108 C CD1 . LEU B 2 180 ? 19.673 -9.438 92.294 1.00 77.49 ? 180 LEU C CD1 1 ATOM 3109 C CD2 . LEU B 2 180 ? 19.414 -7.971 90.258 1.00 76.69 ? 180 LEU C CD2 1 ATOM 3110 N N . THR B 2 181 ? 24.100 -6.642 91.884 1.00 78.59 ? 181 THR C N 1 ATOM 3111 C CA . THR B 2 181 ? 25.217 -6.536 92.830 1.00 80.44 ? 181 THR C CA 1 ATOM 3112 C C . THR B 2 181 ? 25.004 -7.544 93.963 1.00 81.03 ? 181 THR C C 1 ATOM 3113 O O . THR B 2 181 ? 23.891 -8.033 94.158 1.00 79.56 ? 181 THR C O 1 ATOM 3114 C CB . THR B 2 181 ? 25.319 -5.124 93.444 1.00 81.32 ? 181 THR C CB 1 ATOM 3115 O OG1 . THR B 2 181 ? 24.083 -4.782 94.078 1.00 80.86 ? 181 THR C OG1 1 ATOM 3116 C CG2 . THR B 2 181 ? 25.633 -4.085 92.385 1.00 81.17 ? 181 THR C CG2 1 ATOM 3117 N N . LYS B 2 182 ? 26.066 -7.856 94.703 1.00 83.23 ? 182 LYS C N 1 ATOM 3118 C CA . LYS B 2 182 ? 25.934 -8.641 95.938 1.00 84.75 ? 182 LYS C CA 1 ATOM 3119 C C . LYS B 2 182 ? 25.092 -7.871 96.960 1.00 85.45 ? 182 LYS C C 1 ATOM 3120 O O . LYS B 2 182 ? 24.291 -8.467 97.683 1.00 84.85 ? 182 LYS C O 1 ATOM 3121 C CB . LYS B 2 182 ? 27.306 -8.970 96.528 1.00 86.93 ? 182 LYS C CB 1 ATOM 3122 C CG . LYS B 2 182 ? 27.274 -9.903 97.736 1.00 87.65 ? 182 LYS C CG 1 ATOM 3123 C CD . LYS B 2 182 ? 28.678 -10.280 98.200 1.00 89.73 ? 182 LYS C CD 1 ATOM 3124 C CE . LYS B 2 182 ? 29.343 -9.177 99.017 1.00 91.68 ? 182 LYS C CE 1 ATOM 3125 N NZ . LYS B 2 182 ? 28.777 -9.020 100.393 1.00 92.19 ? 182 LYS C NZ 1 ATOM 3126 N N . ALA B 2 183 ? 25.291 -6.552 97.007 1.00 86.76 ? 183 ALA C N 1 ATOM 3127 C CA . ALA B 2 183 ? 24.487 -5.645 97.832 1.00 86.83 ? 183 ALA C CA 1 ATOM 3128 C C . ALA B 2 183 ? 22.987 -5.778 97.534 1.00 85.31 ? 183 ALA C C 1 ATOM 3129 O O . ALA B 2 183 ? 22.189 -6.064 98.435 1.00 85.62 ? 183 ALA C O 1 ATOM 3130 C CB . ALA B 2 183 ? 24.943 -4.208 97.616 1.00 87.29 ? 183 ALA C CB 1 ATOM 3131 N N . ASP B 2 184 ? 22.618 -5.584 96.269 1.00 83.37 ? 184 ASP C N 1 ATOM 3132 C CA . ASP B 2 184 ? 21.218 -5.714 95.837 1.00 81.77 ? 184 ASP C CA 1 ATOM 3133 C C . ASP B 2 184 ? 20.702 -7.149 95.999 1.00 79.85 ? 184 ASP C C 1 ATOM 3134 O O . ASP B 2 184 ? 19.538 -7.345 96.360 1.00 79.52 ? 184 ASP C O 1 ATOM 3135 C CB . ASP B 2 184 ? 21.043 -5.243 94.384 1.00 80.92 ? 184 ASP C CB 1 ATOM 3136 C CG . ASP B 2 184 ? 19.581 -5.124 93.972 1.00 79.69 ? 184 ASP C CG 1 ATOM 3137 O OD1 . ASP B 2 184 ? 18.859 -4.254 94.503 1.00 79.66 ? 184 ASP C OD1 1 ATOM 3138 O OD2 . ASP B 2 184 ? 19.153 -5.904 93.103 1.00 80.09 ? 184 ASP C OD2 1 ATOM 3139 N N . TYR B 2 185 ? 21.569 -8.135 95.750 1.00 78.54 ? 185 TYR C N 1 ATOM 3140 C CA . TYR B 2 185 ? 21.212 -9.551 95.887 1.00 76.66 ? 185 TYR C CA 1 ATOM 3141 C C . TYR B 2 185 ? 20.731 -9.907 97.292 1.00 76.96 ? 185 TYR C C 1 ATOM 3142 O O . TYR B 2 185 ? 19.573 -10.265 97.469 1.00 74.96 ? 185 TYR C O 1 ATOM 3143 C CB . TYR B 2 185 ? 22.379 -10.466 95.504 1.00 76.54 ? 185 TYR C CB 1 ATOM 3144 C CG . TYR B 2 185 ? 22.053 -11.934 95.674 1.00 75.91 ? 185 TYR C CG 1 ATOM 3145 C CD1 . TYR B 2 185 ? 21.056 -12.535 94.900 1.00 74.15 ? 185 TYR C CD1 1 ATOM 3146 C CD2 . TYR B 2 185 ? 22.727 -12.726 96.614 1.00 76.51 ? 185 TYR C CD2 1 ATOM 3147 C CE1 . TYR B 2 185 ? 20.738 -13.878 95.050 1.00 73.34 ? 185 TYR C CE1 1 ATOM 3148 C CE2 . TYR B 2 185 ? 22.419 -14.075 96.766 1.00 76.24 ? 185 TYR C CE2 1 ATOM 3149 C CZ . TYR B 2 185 ? 21.418 -14.644 95.983 1.00 74.43 ? 185 TYR C CZ 1 ATOM 3150 O OH . TYR B 2 185 ? 21.095 -15.973 96.114 1.00 73.28 ? 185 TYR C OH 1 ATOM 3151 N N . GLU B 2 186 ? 21.602 -9.798 98.292 1.00 79.37 ? 186 GLU C N 1 ATOM 3152 C CA . GLU B 2 186 ? 21.215 -10.217 99.649 1.00 81.36 ? 186 GLU C CA 1 ATOM 3153 C C . GLU B 2 186 ? 20.358 -9.200 100.428 1.00 81.41 ? 186 GLU C C 1 ATOM 3154 O O . GLU B 2 186 ? 19.882 -9.501 101.526 1.00 80.11 ? 186 GLU C O 1 ATOM 3155 C CB . GLU B 2 186 ? 22.426 -10.722 100.462 1.00 82.98 ? 186 GLU C CB 1 ATOM 3156 C CG . GLU B 2 186 ? 22.116 -11.851 101.461 1.00 83.82 ? 186 GLU C CG 1 ATOM 3157 C CD . GLU B 2 186 ? 20.856 -12.661 101.143 1.00 82.79 ? 186 GLU C CD 1 ATOM 3158 O OE1 . GLU B 2 186 ? 20.869 -13.472 100.180 1.00 82.26 ? 186 GLU C OE1 1 ATOM 3159 O OE2 . GLU B 2 186 ? 19.841 -12.470 101.852 1.00 81.39 ? 186 GLU C OE2 1 ATOM 3160 N N . SER B 2 187 ? 20.118 -8.027 99.828 1.00 81.61 ? 187 SER C N 1 ATOM 3161 C CA . SER B 2 187 ? 19.042 -7.115 100.267 1.00 81.42 ? 187 SER C CA 1 ATOM 3162 C C . SER B 2 187 ? 17.613 -7.669 100.073 1.00 79.53 ? 187 SER C C 1 ATOM 3163 O O . SER B 2 187 ? 16.639 -7.025 100.494 1.00 80.49 ? 187 SER C O 1 ATOM 3164 C CB . SER B 2 187 ? 19.155 -5.755 99.555 1.00 81.54 ? 187 SER C CB 1 ATOM 3165 O OG . SER B 2 187 ? 20.292 -5.035 99.997 1.00 84.43 ? 187 SER C OG 1 ATOM 3166 N N . HIS B 2 188 ? 17.472 -8.824 99.417 1.00 77.31 ? 188 HIS C N 1 ATOM 3167 C CA . HIS B 2 188 ? 16.176 -9.496 99.287 1.00 75.78 ? 188 HIS C CA 1 ATOM 3168 C C . HIS B 2 188 ? 16.321 -10.989 99.555 1.00 74.30 ? 188 HIS C C 1 ATOM 3169 O O . HIS B 2 188 ? 17.435 -11.498 99.680 1.00 74.34 ? 188 HIS C O 1 ATOM 3170 C CB . HIS B 2 188 ? 15.587 -9.216 97.902 1.00 75.44 ? 188 HIS C CB 1 ATOM 3171 C CG . HIS B 2 188 ? 15.641 -7.767 97.519 1.00 76.55 ? 188 HIS C CG 1 ATOM 3172 N ND1 . HIS B 2 188 ? 16.715 -7.213 96.852 1.00 77.01 ? 188 HIS C ND1 1 ATOM 3173 C CD2 . HIS B 2 188 ? 14.786 -6.747 97.768 1.00 76.63 ? 188 HIS C CD2 1 ATOM 3174 C CE1 . HIS B 2 188 ? 16.503 -5.921 96.678 1.00 77.19 ? 188 HIS C CE1 1 ATOM 3175 N NE2 . HIS B 2 188 ? 15.339 -5.613 97.222 1.00 77.20 ? 188 HIS C NE2 1 ATOM 3176 N N . ASN B 2 189 ? 15.190 -11.676 99.660 1.00 72.74 ? 189 ASN C N 1 ATOM 3177 C CA . ASN B 2 189 ? 15.155 -13.053 100.149 1.00 73.88 ? 189 ASN C CA 1 ATOM 3178 C C . ASN B 2 189 ? 14.481 -14.013 99.168 1.00 72.67 ? 189 ASN C C 1 ATOM 3179 O O . ASN B 2 189 ? 15.065 -15.040 98.807 1.00 71.85 ? 189 ASN C O 1 ATOM 3180 C CB . ASN B 2 189 ? 14.449 -13.078 101.511 1.00 76.12 ? 189 ASN C CB 1 ATOM 3181 C CG . ASN B 2 189 ? 14.855 -14.269 102.365 1.00 78.52 ? 189 ASN C CG 1 ATOM 3182 O OD1 . ASN B 2 189 ? 14.500 -15.408 102.059 1.00 78.70 ? 189 ASN C OD1 1 ATOM 3183 N ND2 . ASN B 2 189 ? 15.589 -14.008 103.454 1.00 80.01 ? 189 ASN C ND2 1 ATOM 3184 N N . LEU B 2 190 ? 13.251 -13.687 98.759 1.00 72.32 ? 190 LEU C N 1 ATOM 3185 C CA . LEU B 2 190 ? 12.495 -14.480 97.778 1.00 70.79 ? 190 LEU C CA 1 ATOM 3186 C C . LEU B 2 190 ? 12.928 -14.124 96.357 1.00 68.59 ? 190 LEU C C 1 ATOM 3187 O O . LEU B 2 190 ? 12.945 -12.948 95.992 1.00 67.71 ? 190 LEU C O 1 ATOM 3188 C CB . LEU B 2 190 ? 10.991 -14.228 97.934 1.00 71.25 ? 190 LEU C CB 1 ATOM 3189 C CG . LEU B 2 190 ? 10.033 -15.068 97.077 1.00 71.17 ? 190 LEU C CG 1 ATOM 3190 C CD1 . LEU B 2 190 ? 10.110 -16.545 97.447 1.00 71.61 ? 190 LEU C CD1 1 ATOM 3191 C CD2 . LEU B 2 190 ? 8.607 -14.549 97.221 1.00 70.56 ? 190 LEU C CD2 1 ATOM 3192 N N . TYR B 2 191 ? 13.286 -15.147 95.577 1.00 67.41 ? 191 TYR C N 1 ATOM 3193 C CA . TYR B 2 191 ? 13.704 -14.996 94.175 1.00 65.50 ? 191 TYR C CA 1 ATOM 3194 C C . TYR B 2 191 ? 12.943 -15.997 93.338 1.00 64.38 ? 191 TYR C C 1 ATOM 3195 O O . TYR B 2 191 ? 13.104 -17.208 93.510 1.00 63.75 ? 191 TYR C O 1 ATOM 3196 C CB . TYR B 2 191 ? 15.212 -15.214 94.022 1.00 65.69 ? 191 TYR C CB 1 ATOM 3197 C CG . TYR B 2 191 ? 15.986 -13.991 94.418 1.00 66.04 ? 191 TYR C CG 1 ATOM 3198 C CD1 . TYR B 2 191 ? 16.040 -12.891 93.565 1.00 65.01 ? 191 TYR C CD1 1 ATOM 3199 C CD2 . TYR B 2 191 ? 16.628 -13.904 95.664 1.00 66.68 ? 191 TYR C CD2 1 ATOM 3200 C CE1 . TYR B 2 191 ? 16.724 -11.744 93.920 1.00 65.90 ? 191 TYR C CE1 1 ATOM 3201 C CE2 . TYR B 2 191 ? 17.317 -12.757 96.030 1.00 66.96 ? 191 TYR C CE2 1 ATOM 3202 C CZ . TYR B 2 191 ? 17.361 -11.681 95.153 1.00 66.79 ? 191 TYR C CZ 1 ATOM 3203 O OH . TYR B 2 191 ? 18.023 -10.526 95.474 1.00 67.43 ? 191 TYR C OH 1 ATOM 3204 N N . THR B 2 192 ? 12.116 -15.486 92.432 1.00 63.72 ? 192 THR C N 1 ATOM 3205 C CA . THR B 2 192 ? 11.155 -16.327 91.731 1.00 64.06 ? 192 THR C CA 1 ATOM 3206 C C . THR B 2 192 ? 11.115 -16.032 90.228 1.00 62.23 ? 192 THR C C 1 ATOM 3207 O O . THR B 2 192 ? 11.109 -14.870 89.810 1.00 60.68 ? 192 THR C O 1 ATOM 3208 C CB . THR B 2 192 ? 9.759 -16.234 92.400 1.00 64.72 ? 192 THR C CB 1 ATOM 3209 O OG1 . THR B 2 192 ? 8.805 -16.966 91.628 1.00 65.31 ? 192 THR C OG1 1 ATOM 3210 C CG2 . THR B 2 192 ? 9.301 -14.811 92.546 1.00 64.97 ? 192 THR C CG2 1 ATOM 3211 N N . CYS B 2 193 ? 11.127 -17.107 89.439 1.00 62.20 ? 193 CYS C N 1 ATOM 3212 C CA . CYS B 2 193 ? 11.098 -17.045 87.979 1.00 62.28 ? 193 CYS C CA 1 ATOM 3213 C C . CYS B 2 193 ? 9.703 -17.491 87.512 1.00 60.60 ? 193 CYS C C 1 ATOM 3214 O O . CYS B 2 193 ? 9.271 -18.611 87.809 1.00 60.20 ? 193 CYS C O 1 ATOM 3215 C CB . CYS B 2 193 ? 12.196 -17.950 87.385 1.00 63.94 ? 193 CYS C CB 1 ATOM 3216 S SG . CYS B 2 193 ? 12.058 -18.179 85.595 1.00 67.78 ? 193 CYS C SG 1 ATOM 3217 N N . GLU B 2 194 ? 9.009 -16.613 86.786 1.00 59.43 ? 194 GLU C N 1 ATOM 3218 C CA . GLU B 2 194 ? 7.613 -16.846 86.376 1.00 59.03 ? 194 GLU C CA 1 ATOM 3219 C C . GLU B 2 194 ? 7.445 -16.938 84.846 1.00 56.70 ? 194 GLU C C 1 ATOM 3220 O O . GLU B 2 194 ? 7.648 -15.953 84.129 1.00 55.28 ? 194 GLU C O 1 ATOM 3221 C CB . GLU B 2 194 ? 6.721 -15.749 86.955 1.00 60.04 ? 194 GLU C CB 1 ATOM 3222 C CG . GLU B 2 194 ? 5.252 -16.124 87.008 1.00 61.11 ? 194 GLU C CG 1 ATOM 3223 C CD . GLU B 2 194 ? 4.415 -15.091 87.736 1.00 62.40 ? 194 GLU C CD 1 ATOM 3224 O OE1 . GLU B 2 194 ? 4.709 -14.808 88.928 1.00 62.21 ? 194 GLU C OE1 1 ATOM 3225 O OE2 . GLU B 2 194 ? 3.460 -14.569 87.107 1.00 63.02 ? 194 GLU C OE2 1 ATOM 3226 N N . VAL B 2 195 ? 7.056 -18.125 84.371 1.00 55.57 ? 195 VAL C N 1 ATOM 3227 C CA . VAL B 2 195 ? 7.081 -18.482 82.946 1.00 54.10 ? 195 VAL C CA 1 ATOM 3228 C C . VAL B 2 195 ? 5.670 -18.656 82.384 1.00 53.75 ? 195 VAL C C 1 ATOM 3229 O O . VAL B 2 195 ? 4.890 -19.454 82.900 1.00 53.26 ? 195 VAL C O 1 ATOM 3230 C CB . VAL B 2 195 ? 7.855 -19.796 82.731 1.00 53.86 ? 195 VAL C CB 1 ATOM 3231 C CG1 . VAL B 2 195 ? 7.889 -20.178 81.249 1.00 53.54 ? 195 VAL C CG1 1 ATOM 3232 C CG2 . VAL B 2 195 ? 9.259 -19.673 83.306 1.00 53.85 ? 195 VAL C CG2 1 ATOM 3233 N N . VAL B 2 196 ? 5.364 -17.922 81.314 1.00 53.76 ? 196 VAL C N 1 ATOM 3234 C CA . VAL B 2 196 ? 4.035 -17.940 80.697 1.00 54.27 ? 196 VAL C CA 1 ATOM 3235 C C . VAL B 2 196 ? 4.175 -18.462 79.279 1.00 53.88 ? 196 VAL C C 1 ATOM 3236 O O . VAL B 2 196 ? 5.065 -18.054 78.555 1.00 53.88 ? 196 VAL C O 1 ATOM 3237 C CB . VAL B 2 196 ? 3.381 -16.538 80.679 1.00 54.20 ? 196 VAL C CB 1 ATOM 3238 C CG1 . VAL B 2 196 ? 1.896 -16.642 80.363 1.00 54.42 ? 196 VAL C CG1 1 ATOM 3239 C CG2 . VAL B 2 196 ? 3.574 -15.834 82.018 1.00 54.47 ? 196 VAL C CG2 1 ATOM 3240 N N . HIS B 2 197 ? 3.283 -19.367 78.898 1.00 54.94 ? 197 HIS C N 1 ATOM 3241 C CA . HIS B 2 197 ? 3.342 -20.072 77.612 1.00 54.32 ? 197 HIS C CA 1 ATOM 3242 C C . HIS B 2 197 ? 1.964 -20.668 77.371 1.00 54.43 ? 197 HIS C C 1 ATOM 3243 O O . HIS B 2 197 ? 1.254 -20.972 78.325 1.00 55.65 ? 197 HIS C O 1 ATOM 3244 C CB . HIS B 2 197 ? 4.398 -21.184 77.683 1.00 54.49 ? 197 HIS C CB 1 ATOM 3245 C CG . HIS B 2 197 ? 4.701 -21.826 76.365 1.00 54.45 ? 197 HIS C CG 1 ATOM 3246 N ND1 . HIS B 2 197 ? 5.284 -21.142 75.322 1.00 53.89 ? 197 HIS C ND1 1 ATOM 3247 C CD2 . HIS B 2 197 ? 4.530 -23.098 75.931 1.00 54.57 ? 197 HIS C CD2 1 ATOM 3248 C CE1 . HIS B 2 197 ? 5.436 -21.960 74.297 1.00 53.46 ? 197 HIS C CE1 1 ATOM 3249 N NE2 . HIS B 2 197 ? 4.996 -23.155 74.644 1.00 53.36 ? 197 HIS C NE2 1 ATOM 3250 N N . LYS B 2 198 ? 1.584 -20.845 76.113 1.00 54.58 ? 198 LYS C N 1 ATOM 3251 C CA . LYS B 2 198 ? 0.228 -21.321 75.790 1.00 55.56 ? 198 LYS C CA 1 ATOM 3252 C C . LYS B 2 198 ? -0.116 -22.770 76.217 1.00 55.95 ? 198 LYS C C 1 ATOM 3253 O O . LYS B 2 198 ? -1.282 -23.146 76.151 1.00 56.72 ? 198 LYS C O 1 ATOM 3254 C CB . LYS B 2 198 ? -0.088 -21.122 74.303 1.00 56.44 ? 198 LYS C CB 1 ATOM 3255 C CG . LYS B 2 198 ? 0.777 -21.920 73.333 1.00 57.56 ? 198 LYS C CG 1 ATOM 3256 C CD . LYS B 2 198 ? 0.120 -22.039 71.959 1.00 58.87 ? 198 LYS C CD 1 ATOM 3257 C CE . LYS B 2 198 ? -1.048 -23.025 71.944 1.00 60.11 ? 198 LYS C CE 1 ATOM 3258 N NZ . LYS B 2 198 ? -1.294 -23.645 70.604 1.00 60.77 ? 198 LYS C NZ 1 ATOM 3259 N N . THR B 2 199 ? 0.868 -23.562 76.660 1.00 55.57 ? 199 THR C N 1 ATOM 3260 C CA . THR B 2 199 ? 0.621 -24.927 77.157 1.00 56.23 ? 199 THR C CA 1 ATOM 3261 C C . THR B 2 199 ? 0.193 -25.026 78.636 1.00 57.78 ? 199 THR C C 1 ATOM 3262 O O . THR B 2 199 ? 0.113 -26.138 79.183 1.00 58.57 ? 199 THR C O 1 ATOM 3263 C CB . THR B 2 199 ? 1.859 -25.819 76.982 1.00 55.32 ? 199 THR C CB 1 ATOM 3264 O OG1 . THR B 2 199 ? 2.955 -25.250 77.707 1.00 55.13 ? 199 THR C OG1 1 ATOM 3265 C CG2 . THR B 2 199 ? 2.206 -25.963 75.526 1.00 54.88 ? 199 THR C CG2 1 ATOM 3266 N N . SER B 2 200 ? -0.065 -23.889 79.285 1.00 57.77 ? 200 SER C N 1 ATOM 3267 C CA . SER B 2 200 ? -0.630 -23.876 80.634 1.00 58.50 ? 200 SER C CA 1 ATOM 3268 C C . SER B 2 200 ? -1.516 -22.645 80.813 1.00 58.19 ? 200 SER C C 1 ATOM 3269 O O . SER B 2 200 ? -1.189 -21.563 80.318 1.00 57.93 ? 200 SER C O 1 ATOM 3270 C CB . SER B 2 200 ? 0.496 -23.883 81.666 1.00 59.24 ? 200 SER C CB 1 ATOM 3271 O OG . SER B 2 200 ? 0.023 -24.274 82.944 1.00 61.04 ? 200 SER C OG 1 ATOM 3272 N N . SER B 2 201 ? -2.637 -22.811 81.510 1.00 59.18 ? 201 SER C N 1 ATOM 3273 C CA . SER B 2 201 ? -3.562 -21.696 81.765 1.00 59.03 ? 201 SER C CA 1 ATOM 3274 C C . SER B 2 201 ? -2.994 -20.708 82.785 1.00 58.22 ? 201 SER C C 1 ATOM 3275 O O . SER B 2 201 ? -3.133 -19.499 82.616 1.00 59.08 ? 201 SER C O 1 ATOM 3276 C CB . SER B 2 201 ? -4.928 -22.207 82.226 1.00 59.82 ? 201 SER C CB 1 ATOM 3277 O OG . SER B 2 201 ? -4.818 -22.929 83.434 1.00 61.11 ? 201 SER C OG 1 ATOM 3278 N N . SER B 2 202 ? -2.359 -21.230 83.834 1.00 57.60 ? 202 SER C N 1 ATOM 3279 C CA . SER B 2 202 ? -1.667 -20.411 84.833 1.00 56.60 ? 202 SER C CA 1 ATOM 3280 C C . SER B 2 202 ? -0.144 -20.557 84.660 1.00 54.97 ? 202 SER C C 1 ATOM 3281 O O . SER B 2 202 ? 0.311 -21.592 84.166 1.00 55.27 ? 202 SER C O 1 ATOM 3282 C CB . SER B 2 202 ? -2.105 -20.832 86.240 1.00 57.51 ? 202 SER C CB 1 ATOM 3283 O OG . SER B 2 202 ? -1.764 -22.181 86.501 1.00 58.84 ? 202 SER C OG 1 ATOM 3284 N N . PRO B 2 203 ? 0.645 -19.533 85.071 1.00 53.24 ? 203 PRO C N 1 ATOM 3285 C CA . PRO B 2 203 ? 2.105 -19.549 84.855 1.00 52.48 ? 203 PRO C CA 1 ATOM 3286 C C . PRO B 2 203 ? 2.843 -20.634 85.633 1.00 52.94 ? 203 PRO C C 1 ATOM 3287 O O . PRO B 2 203 ? 2.523 -20.887 86.793 1.00 53.64 ? 203 PRO C O 1 ATOM 3288 C CB . PRO B 2 203 ? 2.556 -18.162 85.336 1.00 51.89 ? 203 PRO C CB 1 ATOM 3289 C CG . PRO B 2 203 ? 1.493 -17.704 86.261 1.00 52.24 ? 203 PRO C CG 1 ATOM 3290 C CD . PRO B 2 203 ? 0.213 -18.297 85.755 1.00 52.71 ? 203 PRO C CD 1 ATOM 3291 N N . VAL B 2 204 ? 3.817 -21.270 84.986 1.00 53.35 ? 204 VAL C N 1 ATOM 3292 C CA . VAL B 2 204 ? 4.689 -22.238 85.652 1.00 54.43 ? 204 VAL C CA 1 ATOM 3293 C C . VAL B 2 204 ? 5.696 -21.471 86.495 1.00 54.45 ? 204 VAL C C 1 ATOM 3294 O O . VAL B 2 204 ? 6.416 -20.610 85.984 1.00 52.99 ? 204 VAL C O 1 ATOM 3295 C CB . VAL B 2 204 ? 5.420 -23.155 84.651 1.00 54.34 ? 204 VAL C CB 1 ATOM 3296 C CG1 . VAL B 2 204 ? 6.472 -24.017 85.352 1.00 54.76 ? 204 VAL C CG1 1 ATOM 3297 C CG2 . VAL B 2 204 ? 4.400 -24.024 83.933 1.00 54.69 ? 204 VAL C CG2 1 ATOM 3298 N N . VAL B 2 205 ? 5.756 -21.826 87.776 1.00 55.50 ? 205 VAL C N 1 ATOM 3299 C CA . VAL B 2 205 ? 6.486 -21.053 88.770 1.00 56.16 ? 205 VAL C CA 1 ATOM 3300 C C . VAL B 2 205 ? 7.592 -21.877 89.434 1.00 56.68 ? 205 VAL C C 1 ATOM 3301 O O . VAL B 2 205 ? 7.339 -22.959 89.975 1.00 56.05 ? 205 VAL C O 1 ATOM 3302 C CB . VAL B 2 205 ? 5.526 -20.442 89.825 1.00 57.72 ? 205 VAL C CB 1 ATOM 3303 C CG1 . VAL B 2 205 ? 4.857 -19.193 89.261 1.00 56.80 ? 205 VAL C CG1 1 ATOM 3304 C CG2 . VAL B 2 205 ? 4.469 -21.448 90.296 1.00 58.67 ? 205 VAL C CG2 1 ATOM 3305 N N . LYS B 2 206 ? 8.821 -21.360 89.343 1.00 57.26 ? 206 LYS C N 1 ATOM 3306 C CA . LYS B 2 206 ? 9.984 -21.898 90.055 1.00 58.81 ? 206 LYS C CA 1 ATOM 3307 C C . LYS B 2 206 ? 10.660 -20.776 90.830 1.00 58.94 ? 206 LYS C C 1 ATOM 3308 O O . LYS B 2 206 ? 10.828 -19.661 90.321 1.00 56.94 ? 206 LYS C O 1 ATOM 3309 C CB . LYS B 2 206 ? 10.992 -22.515 89.084 1.00 59.04 ? 206 LYS C CB 1 ATOM 3310 C CG . LYS B 2 206 ? 10.454 -23.669 88.260 1.00 59.34 ? 206 LYS C CG 1 ATOM 3311 C CD . LYS B 2 206 ? 10.286 -24.934 89.081 1.00 60.80 ? 206 LYS C CD 1 ATOM 3312 C CE . LYS B 2 206 ? 9.581 -26.007 88.266 1.00 61.58 ? 206 LYS C CE 1 ATOM 3313 N NZ . LYS B 2 206 ? 9.886 -27.372 88.770 1.00 63.58 ? 206 LYS C NZ 1 ATOM 3314 N N . SER B 2 207 ? 11.047 -21.079 92.063 1.00 61.37 ? 207 SER C N 1 ATOM 3315 C CA . SER B 2 207 ? 11.725 -20.104 92.925 1.00 62.38 ? 207 SER C CA 1 ATOM 3316 C C . SER B 2 207 ? 12.671 -20.781 93.904 1.00 63.71 ? 207 SER C C 1 ATOM 3317 O O . SER B 2 207 ? 12.471 -21.942 94.267 1.00 63.60 ? 207 SER C O 1 ATOM 3318 C CB . SER B 2 207 ? 10.688 -19.285 93.685 1.00 61.85 ? 207 SER C CB 1 ATOM 3319 O OG . SER B 2 207 ? 9.840 -20.119 94.435 1.00 62.78 ? 207 SER C OG 1 ATOM 3320 N N . PHE B 2 208 ? 13.722 -20.060 94.284 1.00 65.93 ? 208 PHE C N 1 ATOM 3321 C CA . PHE B 2 208 ? 14.518 -20.398 95.466 1.00 68.86 ? 208 PHE C CA 1 ATOM 3322 C C . PHE B 2 208 ? 14.348 -19.284 96.485 1.00 70.16 ? 208 PHE C C 1 ATOM 3323 O O . PHE B 2 208 ? 14.261 -18.103 96.131 1.00 67.41 ? 208 PHE C O 1 ATOM 3324 C CB . PHE B 2 208 ? 16.007 -20.614 95.133 1.00 69.43 ? 208 PHE C CB 1 ATOM 3325 C CG . PHE B 2 208 ? 16.785 -19.339 94.908 1.00 69.13 ? 208 PHE C CG 1 ATOM 3326 C CD1 . PHE B 2 208 ? 17.375 -18.663 95.978 1.00 68.98 ? 208 PHE C CD1 1 ATOM 3327 C CD2 . PHE B 2 208 ? 16.932 -18.812 93.624 1.00 67.42 ? 208 PHE C CD2 1 ATOM 3328 C CE1 . PHE B 2 208 ? 18.082 -17.487 95.774 1.00 68.76 ? 208 PHE C CE1 1 ATOM 3329 C CE2 . PHE B 2 208 ? 17.645 -17.639 93.423 1.00 66.82 ? 208 PHE C CE2 1 ATOM 3330 C CZ . PHE B 2 208 ? 18.221 -16.976 94.495 1.00 67.46 ? 208 PHE C CZ 1 ATOM 3331 N N . ASN B 2 209 ? 14.300 -19.680 97.750 1.00 75.36 ? 209 ASN C N 1 ATOM 3332 C CA . ASN B 2 209 ? 14.347 -18.754 98.869 1.00 79.03 ? 209 ASN C CA 1 ATOM 3333 C C . ASN B 2 209 ? 15.690 -18.951 99.557 1.00 82.57 ? 209 ASN C C 1 ATOM 3334 O O . ASN B 2 209 ? 16.048 -20.083 99.879 1.00 83.93 ? 209 ASN C O 1 ATOM 3335 C CB . ASN B 2 209 ? 13.197 -19.065 99.825 1.00 80.21 ? 209 ASN C CB 1 ATOM 3336 C CG . ASN B 2 209 ? 13.017 -18.005 100.888 1.00 81.72 ? 209 ASN C CG 1 ATOM 3337 O OD1 . ASN B 2 209 ? 12.107 -17.175 100.807 1.00 81.12 ? 209 ASN C OD1 1 ATOM 3338 N ND2 . ASN B 2 209 ? 13.889 -18.020 101.892 1.00 83.46 ? 209 ASN C ND2 1 ATOM 3339 N N . ARG B 2 210 ? 16.439 -17.862 99.741 1.00 86.41 ? 210 ARG C N 1 ATOM 3340 C CA . ARG B 2 210 ? 17.604 -17.837 100.644 1.00 92.64 ? 210 ARG C CA 1 ATOM 3341 C C . ARG B 2 210 ? 18.639 -18.950 100.321 1.00 98.33 ? 210 ARG C C 1 ATOM 3342 O O . ARG B 2 210 ? 19.412 -18.796 99.369 1.00 98.55 ? 210 ARG C O 1 ATOM 3343 C CB . ARG B 2 210 ? 17.107 -17.849 102.110 1.00 93.09 ? 210 ARG C CB 1 ATOM 3344 C CG . ARG B 2 210 ? 18.161 -17.613 103.183 1.00 93.92 ? 210 ARG C CG 1 ATOM 3345 C CD . ARG B 2 210 ? 17.550 -17.703 104.574 1.00 94.80 ? 210 ARG C CD 1 ATOM 3346 N NE . ARG B 2 210 ? 16.511 -16.701 104.806 1.00 93.00 ? 210 ARG C NE 1 ATOM 3347 N N . ASN B 2 211 ? 18.643 -20.057 101.081 1.00 104.63 ? 211 ASN C N 1 ATOM 3348 C CA . ASN B 2 211 ? 19.506 -21.226 100.797 1.00 108.17 ? 211 ASN C CA 1 ATOM 3349 C C . ASN B 2 211 ? 18.766 -22.550 101.068 1.00 110.93 ? 211 ASN C C 1 ATOM 3350 O O . ASN B 2 211 ? 18.277 -22.780 102.182 1.00 112.27 ? 211 ASN C O 1 ATOM 3351 C CB . ASN B 2 211 ? 20.848 -21.171 101.567 1.00 109.93 ? 211 ASN C CB 1 ATOM 3352 C CG . ASN B 2 211 ? 20.710 -20.675 103.001 1.00 111.68 ? 211 ASN C CG 1 ATOM 3353 O OD1 . ASN B 2 211 ? 21.523 -19.871 103.458 1.00 112.99 ? 211 ASN C OD1 1 ATOM 3354 N ND2 . ASN B 2 211 ? 19.699 -21.158 103.721 1.00 111.72 ? 211 ASN C ND2 1 ATOM 3355 N N . GLU B 2 212 ? 18.682 -23.398 100.037 1.00 111.73 ? 212 GLU C N 1 ATOM 3356 C CA . GLU B 2 212 ? 18.012 -24.704 100.126 1.00 112.18 ? 212 GLU C CA 1 ATOM 3357 C C . GLU B 2 212 ? 18.566 -25.680 99.087 1.00 112.67 ? 212 GLU C C 1 ATOM 3358 O O . GLU B 2 212 ? 19.778 -25.763 98.876 1.00 113.17 ? 212 GLU C O 1 ATOM 3359 C CB . GLU B 2 212 ? 16.499 -24.547 99.934 1.00 110.11 ? 212 GLU C CB 1 ATOM 3360 N N . GLU C 3 1 ? 35.911 -36.583 52.357 1.00 74.40 ? 1 GLU D N 1 ATOM 3361 C CA . GLU C 3 1 ? 37.405 -36.497 52.294 1.00 74.37 ? 1 GLU D CA 1 ATOM 3362 C C . GLU C 3 1 ? 37.919 -35.124 51.816 1.00 71.29 ? 1 GLU D C 1 ATOM 3363 O O . GLU C 3 1 ? 39.047 -34.748 52.135 1.00 70.83 ? 1 GLU D O 1 ATOM 3364 C CB . GLU C 3 1 ? 37.968 -37.635 51.427 1.00 77.53 ? 1 GLU D CB 1 ATOM 3365 C CG . GLU C 3 1 ? 37.797 -39.028 52.046 1.00 80.95 ? 1 GLU D CG 1 ATOM 3366 C CD . GLU C 3 1 ? 37.574 -40.139 51.017 1.00 83.65 ? 1 GLU D CD 1 ATOM 3367 O OE1 . GLU C 3 1 ? 38.306 -40.181 50.002 1.00 84.57 ? 1 GLU D OE1 1 ATOM 3368 O OE2 . GLU C 3 1 ? 36.665 -40.980 51.229 1.00 84.16 ? 1 GLU D OE2 1 ATOM 3369 N N . VAL C 3 2 ? 37.101 -34.391 51.056 1.00 69.06 ? 2 VAL D N 1 ATOM 3370 C CA . VAL C 3 2 ? 37.382 -32.992 50.711 1.00 66.69 ? 2 VAL D CA 1 ATOM 3371 C C . VAL C 3 2 ? 37.042 -32.112 51.907 1.00 65.42 ? 2 VAL D C 1 ATOM 3372 O O . VAL C 3 2 ? 35.874 -32.035 52.305 1.00 64.66 ? 2 VAL D O 1 ATOM 3373 C CB . VAL C 3 2 ? 36.558 -32.514 49.492 1.00 66.43 ? 2 VAL D CB 1 ATOM 3374 C CG1 . VAL C 3 2 ? 36.721 -31.010 49.267 1.00 65.26 ? 2 VAL D CG1 1 ATOM 3375 C CG2 . VAL C 3 2 ? 36.955 -33.292 48.241 1.00 67.44 ? 2 VAL D CG2 1 ATOM 3376 N N . GLN C 3 3 ? 38.057 -31.437 52.453 1.00 63.95 ? 3 GLN D N 1 ATOM 3377 C CA . GLN C 3 3 ? 37.902 -30.587 53.632 1.00 61.86 ? 3 GLN D CA 1 ATOM 3378 C C . GLN C 3 3 ? 38.698 -29.294 53.537 1.00 58.80 ? 3 GLN D C 1 ATOM 3379 O O . GLN C 3 3 ? 39.732 -29.242 52.883 1.00 59.05 ? 3 GLN D O 1 ATOM 3380 C CB . GLN C 3 3 ? 38.324 -31.358 54.882 1.00 64.45 ? 3 GLN D CB 1 ATOM 3381 C CG . GLN C 3 3 ? 37.207 -32.206 55.469 1.00 66.34 ? 3 GLN D CG 1 ATOM 3382 C CD . GLN C 3 3 ? 37.668 -33.041 56.643 1.00 67.56 ? 3 GLN D CD 1 ATOM 3383 O OE1 . GLN C 3 3 ? 38.613 -33.824 56.525 1.00 69.03 ? 3 GLN D OE1 1 ATOM 3384 N NE2 . GLN C 3 3 ? 36.999 -32.885 57.784 1.00 67.32 ? 3 GLN D NE2 1 ATOM 3385 N N . LEU C 3 4 ? 38.196 -28.260 54.209 1.00 56.51 ? 4 LEU D N 1 ATOM 3386 C CA . LEU C 3 4 ? 38.851 -26.955 54.299 1.00 55.26 ? 4 LEU D CA 1 ATOM 3387 C C . LEU C 3 4 ? 38.774 -26.453 55.744 1.00 54.32 ? 4 LEU D C 1 ATOM 3388 O O . LEU C 3 4 ? 37.744 -26.603 56.389 1.00 52.97 ? 4 LEU D O 1 ATOM 3389 C CB . LEU C 3 4 ? 38.150 -25.968 53.360 1.00 54.78 ? 4 LEU D CB 1 ATOM 3390 C CG . LEU C 3 4 ? 38.296 -26.213 51.842 1.00 53.97 ? 4 LEU D CG 1 ATOM 3391 C CD1 . LEU C 3 4 ? 36.953 -26.421 51.162 1.00 53.56 ? 4 LEU D CD1 1 ATOM 3392 C CD2 . LEU C 3 4 ? 39.064 -25.092 51.156 1.00 53.55 ? 4 LEU D CD2 1 ATOM 3393 N N . GLN C 3 5 ? 39.857 -25.864 56.245 1.00 55.09 ? 5 GLN D N 1 ATOM 3394 C CA . GLN C 3 5 ? 39.912 -25.361 57.624 1.00 55.93 ? 5 GLN D CA 1 ATOM 3395 C C . GLN C 3 5 ? 40.502 -23.951 57.641 1.00 54.35 ? 5 GLN D C 1 ATOM 3396 O O . GLN C 3 5 ? 41.661 -23.775 57.266 1.00 55.11 ? 5 GLN D O 1 ATOM 3397 C CB . GLN C 3 5 ? 40.780 -26.289 58.500 1.00 58.69 ? 5 GLN D CB 1 ATOM 3398 C CG . GLN C 3 5 ? 40.095 -26.840 59.750 1.00 60.25 ? 5 GLN D CG 1 ATOM 3399 C CD . GLN C 3 5 ? 39.255 -28.092 59.495 1.00 62.07 ? 5 GLN D CD 1 ATOM 3400 O OE1 . GLN C 3 5 ? 39.275 -28.676 58.402 1.00 63.67 ? 5 GLN D OE1 1 ATOM 3401 N NE2 . GLN C 3 5 ? 38.508 -28.513 60.516 1.00 62.81 ? 5 GLN D NE2 1 ATOM 3402 N N . GLU C 3 6 ? 39.723 -22.965 58.081 1.00 52.67 ? 6 GLU D N 1 ATOM 3403 C CA . GLU C 3 6 ? 40.215 -21.592 58.210 1.00 53.24 ? 6 GLU D CA 1 ATOM 3404 C C . GLU C 3 6 ? 40.676 -21.324 59.637 1.00 53.85 ? 6 GLU D C 1 ATOM 3405 O O . GLU C 3 6 ? 39.967 -21.655 60.586 1.00 54.06 ? 6 GLU D O 1 ATOM 3406 C CB . GLU C 3 6 ? 39.137 -20.567 57.854 1.00 52.70 ? 6 GLU D CB 1 ATOM 3407 C CG . GLU C 3 6 ? 38.454 -20.785 56.527 1.00 52.43 ? 6 GLU D CG 1 ATOM 3408 C CD . GLU C 3 6 ? 37.131 -21.528 56.617 1.00 52.90 ? 6 GLU D CD 1 ATOM 3409 O OE1 . GLU C 3 6 ? 36.780 -22.060 57.688 1.00 52.99 ? 6 GLU D OE1 1 ATOM 3410 O OE2 . GLU C 3 6 ? 36.420 -21.577 55.592 1.00 54.02 ? 6 GLU D OE2 1 ATOM 3411 N N . SER C 3 7 ? 41.849 -20.714 59.785 1.00 54.53 ? 7 SER D N 1 ATOM 3412 C CA . SER C 3 7 ? 42.332 -20.258 61.092 1.00 54.94 ? 7 SER D CA 1 ATOM 3413 C C . SER C 3 7 ? 42.727 -18.778 61.017 1.00 55.47 ? 7 SER D C 1 ATOM 3414 O O . SER C 3 7 ? 43.365 -18.343 60.057 1.00 54.79 ? 7 SER D O 1 ATOM 3415 C CB . SER C 3 7 ? 43.498 -21.118 61.582 1.00 54.96 ? 7 SER D CB 1 ATOM 3416 O OG . SER C 3 7 ? 44.598 -21.064 60.692 1.00 56.14 ? 7 SER D OG 1 ATOM 3417 N N . GLY C 3 8 ? 42.311 -18.012 62.024 1.00 56.16 ? 8 GLY D N 1 ATOM 3418 C CA . GLY C 3 8 ? 42.622 -16.590 62.113 1.00 56.34 ? 8 GLY D CA 1 ATOM 3419 C C . GLY C 3 8 ? 42.689 -16.096 63.548 1.00 56.16 ? 8 GLY D C 1 ATOM 3420 O O . GLY C 3 8 ? 42.413 -16.855 64.477 1.00 56.20 ? 8 GLY D O 1 ATOM 3421 N N . PRO C 3 9 ? 43.054 -14.815 63.735 1.00 56.49 ? 9 PRO D N 1 ATOM 3422 C CA . PRO C 3 9 ? 43.054 -14.212 65.052 1.00 57.83 ? 9 PRO D CA 1 ATOM 3423 C C . PRO C 3 9 ? 41.631 -13.795 65.366 1.00 58.78 ? 9 PRO D C 1 ATOM 3424 O O . PRO C 3 9 ? 40.983 -13.180 64.512 1.00 63.23 ? 9 PRO D O 1 ATOM 3425 C CB . PRO C 3 9 ? 43.948 -12.989 64.864 1.00 58.06 ? 9 PRO D CB 1 ATOM 3426 C CG . PRO C 3 9 ? 43.738 -12.583 63.445 1.00 57.60 ? 9 PRO D CG 1 ATOM 3427 C CD . PRO C 3 9 ? 43.284 -13.804 62.684 1.00 56.99 ? 9 PRO D CD 1 ATOM 3428 N N . GLY C 3 10 ? 41.117 -14.146 66.539 1.00 56.86 ? 10 GLY D N 1 ATOM 3429 C CA . GLY C 3 10 ? 39.750 -13.754 66.889 1.00 55.37 ? 10 GLY D CA 1 ATOM 3430 C C . GLY C 3 10 ? 39.598 -12.248 66.783 1.00 54.33 ? 10 GLY D C 1 ATOM 3431 O O . GLY C 3 10 ? 38.776 -11.748 66.025 1.00 52.59 ? 10 GLY D O 1 ATOM 3432 N N . LEU C 3 11 ? 40.455 -11.542 67.517 1.00 55.53 ? 11 LEU D N 1 ATOM 3433 C CA . LEU C 3 11 ? 40.423 -10.088 67.620 1.00 55.82 ? 11 LEU D CA 1 ATOM 3434 C C . LEU C 3 11 ? 41.558 -9.449 66.831 1.00 56.21 ? 11 LEU D C 1 ATOM 3435 O O . LEU C 3 11 ? 42.695 -9.922 66.860 1.00 56.30 ? 11 LEU D O 1 ATOM 3436 C CB . LEU C 3 11 ? 40.530 -9.674 69.090 1.00 55.74 ? 11 LEU D CB 1 ATOM 3437 C CG . LEU C 3 11 ? 40.390 -8.190 69.422 1.00 55.98 ? 11 LEU D CG 1 ATOM 3438 C CD1 . LEU C 3 11 ? 39.087 -7.609 68.896 1.00 55.37 ? 11 LEU D CD1 1 ATOM 3439 C CD2 . LEU C 3 11 ? 40.498 -8.004 70.923 1.00 56.61 ? 11 LEU D CD2 1 ATOM 3440 N N . VAL C 3 12 ? 41.225 -8.378 66.120 1.00 57.06 ? 12 VAL D N 1 ATOM 3441 C CA . VAL C 3 12 ? 42.200 -7.506 65.472 1.00 58.60 ? 12 VAL D CA 1 ATOM 3442 C C . VAL C 3 12 ? 41.753 -6.071 65.733 1.00 59.66 ? 12 VAL D C 1 ATOM 3443 O O . VAL C 3 12 ? 40.561 -5.774 65.664 1.00 58.13 ? 12 VAL D O 1 ATOM 3444 C CB . VAL C 3 12 ? 42.259 -7.748 63.944 1.00 58.29 ? 12 VAL D CB 1 ATOM 3445 C CG1 . VAL C 3 12 ? 43.500 -7.100 63.343 1.00 58.58 ? 12 VAL D CG1 1 ATOM 3446 C CG2 . VAL C 3 12 ? 42.227 -9.239 63.630 1.00 57.97 ? 12 VAL D CG2 1 ATOM 3447 N N . GLN C 3 13 ? 42.693 -5.181 66.028 1.00 62.03 ? 13 GLN D N 1 ATOM 3448 C CA . GLN C 3 13 ? 42.354 -3.773 66.268 1.00 64.64 ? 13 GLN D CA 1 ATOM 3449 C C . GLN C 3 13 ? 42.328 -2.999 64.938 1.00 65.32 ? 13 GLN D C 1 ATOM 3450 O O . GLN C 3 13 ? 42.892 -3.471 63.952 1.00 63.59 ? 13 GLN D O 1 ATOM 3451 C CB . GLN C 3 13 ? 43.326 -3.157 67.274 1.00 66.41 ? 13 GLN D CB 1 ATOM 3452 C CG . GLN C 3 13 ? 43.138 -3.706 68.689 1.00 67.00 ? 13 GLN D CG 1 ATOM 3453 C CD . GLN C 3 13 ? 44.339 -3.485 69.588 1.00 68.33 ? 13 GLN D CD 1 ATOM 3454 O OE1 . GLN C 3 13 ? 45.204 -2.658 69.306 1.00 69.72 ? 13 GLN D OE1 1 ATOM 3455 N NE2 . GLN C 3 13 ? 44.396 -4.229 70.682 1.00 68.67 ? 13 GLN D NE2 1 ATOM 3456 N N . PRO C 3 14 ? 41.627 -1.838 64.886 1.00 67.45 ? 14 PRO D N 1 ATOM 3457 C CA . PRO C 3 14 ? 41.658 -1.013 63.666 1.00 68.36 ? 14 PRO D CA 1 ATOM 3458 C C . PRO C 3 14 ? 43.063 -0.527 63.349 1.00 71.12 ? 14 PRO D C 1 ATOM 3459 O O . PRO C 3 14 ? 43.853 -0.302 64.270 1.00 73.26 ? 14 PRO D O 1 ATOM 3460 C CB . PRO C 3 14 ? 40.749 0.165 64.008 1.00 68.39 ? 14 PRO D CB 1 ATOM 3461 C CG . PRO C 3 14 ? 39.807 -0.376 65.020 1.00 68.18 ? 14 PRO D CG 1 ATOM 3462 C CD . PRO C 3 14 ? 40.585 -1.379 65.822 1.00 67.81 ? 14 PRO D CD 1 ATOM 3463 N N . SER C 3 15 ? 43.366 -0.413 62.057 1.00 72.93 ? 15 SER D N 1 ATOM 3464 C CA . SER C 3 15 ? 44.716 -0.086 61.531 1.00 74.85 ? 15 SER D CA 1 ATOM 3465 C C . SER C 3 15 ? 45.708 -1.257 61.502 1.00 74.00 ? 15 SER D C 1 ATOM 3466 O O . SER C 3 15 ? 46.630 -1.234 60.680 1.00 75.86 ? 15 SER D O 1 ATOM 3467 C CB . SER C 3 15 ? 45.358 1.131 62.222 1.00 75.88 ? 15 SER D CB 1 ATOM 3468 O OG . SER C 3 15 ? 44.499 2.255 62.165 1.00 77.32 ? 15 SER D OG 1 ATOM 3469 N N . GLU C 3 16 ? 45.540 -2.257 62.377 1.00 71.81 ? 16 GLU D N 1 ATOM 3470 C CA . GLU C 3 16 ? 46.296 -3.508 62.279 1.00 70.75 ? 16 GLU D CA 1 ATOM 3471 C C . GLU C 3 16 ? 45.868 -4.253 61.020 1.00 68.71 ? 16 GLU D C 1 ATOM 3472 O O . GLU C 3 16 ? 44.927 -3.846 60.324 1.00 68.38 ? 16 GLU D O 1 ATOM 3473 C CB . GLU C 3 16 ? 46.096 -4.413 63.509 1.00 71.58 ? 16 GLU D CB 1 ATOM 3474 C CG . GLU C 3 16 ? 46.615 -3.848 64.826 1.00 74.26 ? 16 GLU D CG 1 ATOM 3475 C CD . GLU C 3 16 ? 46.545 -4.843 65.985 1.00 75.41 ? 16 GLU D CD 1 ATOM 3476 O OE1 . GLU C 3 16 ? 47.097 -4.530 67.064 1.00 76.84 ? 16 GLU D OE1 1 ATOM 3477 O OE2 . GLU C 3 16 ? 45.936 -5.931 65.833 1.00 74.20 ? 16 GLU D OE2 1 ATOM 3478 N N . THR C 3 17 ? 46.575 -5.337 60.726 1.00 66.37 ? 17 THR D N 1 ATOM 3479 C CA . THR C 3 17 ? 46.335 -6.114 59.526 1.00 64.40 ? 17 THR D CA 1 ATOM 3480 C C . THR C 3 17 ? 45.917 -7.545 59.892 1.00 61.86 ? 17 THR D C 1 ATOM 3481 O O . THR C 3 17 ? 46.423 -8.122 60.854 1.00 62.00 ? 17 THR D O 1 ATOM 3482 C CB . THR C 3 17 ? 47.586 -6.092 58.630 1.00 64.59 ? 17 THR D CB 1 ATOM 3483 O OG1 . THR C 3 17 ? 48.672 -6.739 59.299 1.00 65.00 ? 17 THR D OG1 1 ATOM 3484 C CG2 . THR C 3 17 ? 47.986 -4.645 58.325 1.00 65.30 ? 17 THR D CG2 1 ATOM 3485 N N . LEU C 3 18 ? 44.968 -8.087 59.134 1.00 58.63 ? 18 LEU D N 1 ATOM 3486 C CA . LEU C 3 18 ? 44.473 -9.445 59.332 1.00 56.91 ? 18 LEU D CA 1 ATOM 3487 C C . LEU C 3 18 ? 45.243 -10.381 58.427 1.00 54.70 ? 18 LEU D C 1 ATOM 3488 O O . LEU C 3 18 ? 45.455 -10.072 57.248 1.00 55.28 ? 18 LEU D O 1 ATOM 3489 C CB . LEU C 3 18 ? 42.988 -9.531 58.969 1.00 57.46 ? 18 LEU D CB 1 ATOM 3490 C CG . LEU C 3 18 ? 42.299 -10.896 59.079 1.00 57.37 ? 18 LEU D CG 1 ATOM 3491 C CD1 . LEU C 3 18 ? 42.087 -11.269 60.538 1.00 57.78 ? 18 LEU D CD1 1 ATOM 3492 C CD2 . LEU C 3 18 ? 40.976 -10.878 58.328 1.00 57.60 ? 18 LEU D CD2 1 ATOM 3493 N N . SER C 3 19 ? 45.648 -11.526 58.969 1.00 51.59 ? 19 SER D N 1 ATOM 3494 C CA . SER C 3 19 ? 46.178 -12.603 58.154 1.00 49.78 ? 19 SER D CA 1 ATOM 3495 C C . SER C 3 19 ? 45.444 -13.899 58.509 1.00 48.08 ? 19 SER D C 1 ATOM 3496 O O . SER C 3 19 ? 45.328 -14.255 59.672 1.00 48.31 ? 19 SER D O 1 ATOM 3497 C CB . SER C 3 19 ? 47.698 -12.724 58.299 1.00 49.86 ? 19 SER D CB 1 ATOM 3498 O OG . SER C 3 19 ? 48.042 -13.558 59.377 1.00 50.71 ? 19 SER D OG 1 ATOM 3499 N N . LEU C 3 20 ? 44.922 -14.571 57.491 1.00 47.04 ? 20 LEU D N 1 ATOM 3500 C CA . LEU C 3 20 ? 44.188 -15.810 57.658 1.00 46.56 ? 20 LEU D CA 1 ATOM 3501 C C . LEU C 3 20 ? 44.942 -16.941 56.984 1.00 46.08 ? 20 LEU D C 1 ATOM 3502 O O . LEU C 3 20 ? 45.746 -16.714 56.082 1.00 46.13 ? 20 LEU D O 1 ATOM 3503 C CB . LEU C 3 20 ? 42.795 -15.679 57.032 1.00 46.41 ? 20 LEU D CB 1 ATOM 3504 C CG . LEU C 3 20 ? 41.845 -14.661 57.663 1.00 46.47 ? 20 LEU D CG 1 ATOM 3505 C CD1 . LEU C 3 20 ? 40.580 -14.508 56.829 1.00 45.88 ? 20 LEU D CD1 1 ATOM 3506 C CD2 . LEU C 3 20 ? 41.508 -15.076 59.091 1.00 46.78 ? 20 LEU D CD2 1 ATOM 3507 N N . THR C 3 21 ? 44.660 -18.159 57.430 1.00 45.64 ? 21 THR D N 1 ATOM 3508 C CA . THR C 3 21 ? 45.209 -19.370 56.839 1.00 45.78 ? 21 THR D CA 1 ATOM 3509 C C . THR C 3 21 ? 44.050 -20.310 56.493 1.00 45.36 ? 21 THR D C 1 ATOM 3510 O O . THR C 3 21 ? 43.103 -20.455 57.268 1.00 44.60 ? 21 THR D O 1 ATOM 3511 C CB . THR C 3 21 ? 46.225 -20.038 57.802 1.00 45.88 ? 21 THR D CB 1 ATOM 3512 O OG1 . THR C 3 21 ? 47.459 -19.325 57.746 1.00 45.83 ? 21 THR D OG1 1 ATOM 3513 C CG2 . THR C 3 21 ? 46.506 -21.514 57.452 1.00 45.96 ? 21 THR D CG2 1 ATOM 3514 N N . CYS C 3 22 ? 44.138 -20.927 55.318 1.00 45.56 ? 22 CYS D N 1 ATOM 3515 C CA . CYS C 3 22 ? 43.236 -21.997 54.920 1.00 46.37 ? 22 CYS D CA 1 ATOM 3516 C C . CYS C 3 22 ? 44.089 -23.238 54.735 1.00 46.34 ? 22 CYS D C 1 ATOM 3517 O O . CYS C 3 22 ? 45.055 -23.216 53.978 1.00 46.09 ? 22 CYS D O 1 ATOM 3518 C CB . CYS C 3 22 ? 42.507 -21.642 53.626 1.00 47.04 ? 22 CYS D CB 1 ATOM 3519 S SG . CYS C 3 22 ? 41.405 -22.927 52.995 1.00 48.67 ? 22 CYS D SG 1 ATOM 3520 N N . THR C 3 23 ? 43.743 -24.299 55.453 1.00 46.32 ? 23 THR D N 1 ATOM 3521 C CA . THR C 3 23 ? 44.457 -25.561 55.382 1.00 47.02 ? 23 THR D CA 1 ATOM 3522 C C . THR C 3 23 ? 43.504 -26.594 54.780 1.00 45.97 ? 23 THR D C 1 ATOM 3523 O O . THR C 3 23 ? 42.340 -26.740 55.189 1.00 44.37 ? 23 THR D O 1 ATOM 3524 C CB . THR C 3 23 ? 44.955 -26.022 56.767 1.00 48.36 ? 23 THR D CB 1 ATOM 3525 O OG1 . THR C 3 23 ? 43.832 -26.372 57.589 1.00 50.58 ? 23 THR D OG1 1 ATOM 3526 C CG2 . THR C 3 23 ? 45.725 -24.913 57.463 1.00 48.42 ? 23 THR D CG2 1 ATOM 3527 N N . VAL C 3 24 ? 44.050 -27.328 53.828 1.00 45.61 ? 24 VAL D N 1 ATOM 3528 C CA . VAL C 3 24 ? 43.295 -28.087 52.867 1.00 45.90 ? 24 VAL D CA 1 ATOM 3529 C C . VAL C 3 24 ? 43.684 -29.563 53.006 1.00 46.12 ? 24 VAL D C 1 ATOM 3530 O O . VAL C 3 24 ? 44.836 -29.878 53.286 1.00 46.82 ? 24 VAL D O 1 ATOM 3531 C CB . VAL C 3 24 ? 43.600 -27.491 51.462 1.00 45.59 ? 24 VAL D CB 1 ATOM 3532 C CG1 . VAL C 3 24 ? 43.643 -28.540 50.359 1.00 46.03 ? 24 VAL D CG1 1 ATOM 3533 C CG2 . VAL C 3 24 ? 42.613 -26.377 51.146 1.00 44.55 ? 24 VAL D CG2 1 ATOM 3534 N N . SER C 3 25 ? 42.722 -30.460 52.820 1.00 45.79 ? 25 SER D N 1 ATOM 3535 C CA . SER C 3 25 ? 43.016 -31.890 52.714 1.00 46.61 ? 25 SER D CA 1 ATOM 3536 C C . SER C 3 25 ? 42.026 -32.570 51.770 1.00 46.65 ? 25 SER D C 1 ATOM 3537 O O . SER C 3 25 ? 40.881 -32.147 51.661 1.00 46.41 ? 25 SER D O 1 ATOM 3538 C CB . SER C 3 25 ? 43.021 -32.554 54.101 1.00 47.02 ? 25 SER D CB 1 ATOM 3539 O OG . SER C 3 25 ? 41.712 -32.739 54.622 1.00 46.70 ? 25 SER D OG 1 ATOM 3540 N N . GLY C 3 26 ? 42.480 -33.619 51.091 1.00 48.01 ? 26 GLY D N 1 ATOM 3541 C CA . GLY C 3 26 ? 41.645 -34.374 50.144 1.00 48.83 ? 26 GLY D CA 1 ATOM 3542 C C . GLY C 3 26 ? 41.877 -34.054 48.675 1.00 48.93 ? 26 GLY D C 1 ATOM 3543 O O . GLY C 3 26 ? 41.255 -34.664 47.807 1.00 50.02 ? 26 GLY D O 1 ATOM 3544 N N . PHE C 3 27 ? 42.765 -33.099 48.403 1.00 48.71 ? 27 PHE D N 1 ATOM 3545 C CA . PHE C 3 27 ? 43.122 -32.691 47.048 1.00 48.48 ? 27 PHE D CA 1 ATOM 3546 C C . PHE C 3 27 ? 44.394 -31.846 47.077 1.00 49.03 ? 27 PHE D C 1 ATOM 3547 O O . PHE C 3 27 ? 44.889 -31.489 48.156 1.00 49.14 ? 27 PHE D O 1 ATOM 3548 C CB . PHE C 3 27 ? 41.987 -31.879 46.409 1.00 47.50 ? 27 PHE D CB 1 ATOM 3549 C CG . PHE C 3 27 ? 41.636 -30.603 47.145 1.00 46.55 ? 27 PHE D CG 1 ATOM 3550 C CD1 . PHE C 3 27 ? 40.839 -30.631 48.293 1.00 46.23 ? 27 PHE D CD1 1 ATOM 3551 C CD2 . PHE C 3 27 ? 42.067 -29.361 46.670 1.00 45.80 ? 27 PHE D CD2 1 ATOM 3552 C CE1 . PHE C 3 27 ? 40.495 -29.451 48.955 1.00 45.46 ? 27 PHE D CE1 1 ATOM 3553 C CE2 . PHE C 3 27 ? 41.719 -28.180 47.324 1.00 44.91 ? 27 PHE D CE2 1 ATOM 3554 C CZ . PHE C 3 27 ? 40.930 -28.222 48.465 1.00 44.51 ? 27 PHE D CZ 1 ATOM 3555 N N . SER C 3 28 ? 44.905 -31.525 45.893 1.00 49.62 ? 28 SER D N 1 ATOM 3556 C CA . SER C 3 28 ? 46.024 -30.596 45.745 1.00 50.14 ? 28 SER D CA 1 ATOM 3557 C C . SER C 3 28 ? 45.540 -29.250 45.220 1.00 50.15 ? 28 SER D C 1 ATOM 3558 O O . SER C 3 28 ? 44.640 -29.180 44.363 1.00 50.80 ? 28 SER D O 1 ATOM 3559 C CB . SER C 3 28 ? 47.081 -31.158 44.786 1.00 50.86 ? 28 SER D CB 1 ATOM 3560 O OG . SER C 3 28 ? 46.645 -31.088 43.440 1.00 50.36 ? 28 SER D OG 1 ATOM 3561 N N . LEU C 3 29 ? 46.179 -28.190 45.706 1.00 49.64 ? 29 LEU D N 1 ATOM 3562 C CA . LEU C 3 29 ? 45.944 -26.837 45.202 1.00 48.90 ? 29 LEU D CA 1 ATOM 3563 C C . LEU C 3 29 ? 46.417 -26.595 43.751 1.00 48.09 ? 29 LEU D C 1 ATOM 3564 O O . LEU C 3 29 ? 46.007 -25.604 43.145 1.00 46.95 ? 29 LEU D O 1 ATOM 3565 C CB . LEU C 3 29 ? 46.610 -25.814 46.128 1.00 48.94 ? 29 LEU D CB 1 ATOM 3566 C CG . LEU C 3 29 ? 46.094 -25.767 47.562 1.00 49.06 ? 29 LEU D CG 1 ATOM 3567 C CD1 . LEU C 3 29 ? 47.032 -24.946 48.432 1.00 49.18 ? 29 LEU D CD1 1 ATOM 3568 C CD2 . LEU C 3 29 ? 44.679 -25.208 47.600 1.00 48.81 ? 29 LEU D CD2 1 ATOM 3569 N N . THR C 3 30 ? 47.281 -27.462 43.210 1.00 48.39 ? 30 THR D N 1 ATOM 3570 C CA . THR C 3 30 ? 47.738 -27.339 41.809 1.00 49.34 ? 30 THR D CA 1 ATOM 3571 C C . THR C 3 30 ? 46.678 -27.688 40.752 1.00 48.63 ? 30 THR D C 1 ATOM 3572 O O . THR C 3 30 ? 46.823 -27.289 39.592 1.00 47.41 ? 30 THR D O 1 ATOM 3573 C CB . THR C 3 30 ? 48.983 -28.213 41.512 1.00 50.85 ? 30 THR D CB 1 ATOM 3574 O OG1 . THR C 3 30 ? 48.872 -29.464 42.203 1.00 52.13 ? 30 THR D OG1 1 ATOM 3575 C CG2 . THR C 3 30 ? 50.257 -27.505 41.937 1.00 51.25 ? 30 THR D CG2 1 ATOM 3576 N N . SER C 3 31 ? 45.649 -28.447 41.140 1.00 47.75 ? 31 SER D N 1 ATOM 3577 C CA . SER C 3 31 ? 44.565 -28.808 40.226 1.00 47.43 ? 31 SER D CA 1 ATOM 3578 C C . SER C 3 31 ? 43.164 -28.300 40.633 1.00 45.52 ? 31 SER D C 1 ATOM 3579 O O . SER C 3 31 ? 42.190 -28.665 39.990 1.00 45.08 ? 31 SER D O 1 ATOM 3580 C CB . SER C 3 31 ? 44.563 -30.327 40.017 1.00 48.40 ? 31 SER D CB 1 ATOM 3581 O OG . SER C 3 31 ? 44.302 -30.988 41.225 1.00 48.92 ? 31 SER D OG 1 ATOM 3582 N N . TYR C 3 32 ? 43.069 -27.467 41.677 1.00 44.10 ? 32 TYR D N 1 ATOM 3583 C CA . TYR C 3 32 ? 41.810 -26.791 42.062 1.00 42.46 ? 32 TYR D CA 1 ATOM 3584 C C . TYR C 3 32 ? 42.059 -25.359 42.524 1.00 40.50 ? 32 TYR D C 1 ATOM 3585 O O . TYR C 3 32 ? 43.066 -25.079 43.187 1.00 40.05 ? 32 TYR D O 1 ATOM 3586 C CB . TYR C 3 32 ? 41.104 -27.535 43.197 1.00 42.95 ? 32 TYR D CB 1 ATOM 3587 C CG . TYR C 3 32 ? 40.329 -28.730 42.749 1.00 44.08 ? 32 TYR D CG 1 ATOM 3588 C CD1 . TYR C 3 32 ? 39.044 -28.593 42.236 1.00 44.49 ? 32 TYR D CD1 1 ATOM 3589 C CD2 . TYR C 3 32 ? 40.875 -30.007 42.833 1.00 45.80 ? 32 TYR D CD2 1 ATOM 3590 C CE1 . TYR C 3 32 ? 38.319 -29.696 41.809 1.00 45.60 ? 32 TYR D CE1 1 ATOM 3591 C CE2 . TYR C 3 32 ? 40.160 -31.121 42.413 1.00 46.92 ? 32 TYR D CE2 1 ATOM 3592 C CZ . TYR C 3 32 ? 38.884 -30.961 41.902 1.00 46.91 ? 32 TYR D CZ 1 ATOM 3593 O OH . TYR C 3 32 ? 38.183 -32.067 41.478 1.00 48.79 ? 32 TYR D OH 1 ATOM 3594 N N . SER C 3 33 ? 41.133 -24.461 42.189 1.00 38.52 ? 33 SER D N 1 ATOM 3595 C CA . SER C 3 33 ? 41.179 -23.088 42.697 1.00 37.21 ? 33 SER D CA 1 ATOM 3596 C C . SER C 3 33 ? 40.523 -22.998 44.074 1.00 36.72 ? 33 SER D C 1 ATOM 3597 O O . SER C 3 33 ? 39.673 -23.807 44.436 1.00 36.71 ? 33 SER D O 1 ATOM 3598 C CB . SER C 3 33 ? 40.497 -22.118 41.733 1.00 36.25 ? 33 SER D CB 1 ATOM 3599 O OG . SER C 3 33 ? 41.229 -22.012 40.544 1.00 35.84 ? 33 SER D OG 1 ATOM 3600 N N . VAL C 3 34 ? 40.935 -21.998 44.829 1.00 36.42 ? 34 VAL D N 1 ATOM 3601 C CA . VAL C 3 34 ? 40.418 -21.754 46.150 1.00 36.73 ? 34 VAL D CA 1 ATOM 3602 C C . VAL C 3 34 ? 40.112 -20.260 46.239 1.00 36.69 ? 34 VAL D C 1 ATOM 3603 O O . VAL C 3 34 ? 40.971 -19.429 45.930 1.00 37.16 ? 34 VAL D O 1 ATOM 3604 C CB . VAL C 3 34 ? 41.456 -22.182 47.215 1.00 37.38 ? 34 VAL D CB 1 ATOM 3605 C CG1 . VAL C 3 34 ? 41.159 -21.576 48.587 1.00 37.42 ? 34 VAL D CG1 1 ATOM 3606 C CG2 . VAL C 3 34 ? 41.519 -23.699 47.295 1.00 37.85 ? 34 VAL D CG2 1 ATOM 3607 N N . SER C 3 35 ? 38.892 -19.931 46.658 1.00 36.03 ? 35 SER D N 1 ATOM 3608 C CA . SER C 3 35 ? 38.459 -18.542 46.806 1.00 35.33 ? 35 SER D CA 1 ATOM 3609 C C . SER C 3 35 ? 38.291 -18.192 48.282 1.00 35.53 ? 35 SER D C 1 ATOM 3610 O O . SER C 3 35 ? 37.955 -19.051 49.092 1.00 36.06 ? 35 SER D O 1 ATOM 3611 C CB . SER C 3 35 ? 37.139 -18.295 46.059 1.00 34.33 ? 35 SER D CB 1 ATOM 3612 O OG . SER C 3 35 ? 37.366 -18.028 44.692 1.00 33.74 ? 35 SER D OG 1 ATOM 3613 N N . TRP C 3 36 ? 38.535 -16.930 48.619 1.00 35.24 ? 36 TRP D N 1 ATOM 3614 C CA . TRP C 3 36 ? 38.118 -16.386 49.890 1.00 35.22 ? 36 TRP D CA 1 ATOM 3615 C C . TRP C 3 36 ? 36.795 -15.649 49.721 1.00 35.17 ? 36 TRP D C 1 ATOM 3616 O O . TRP C 3 36 ? 36.667 -14.794 48.849 1.00 34.50 ? 36 TRP D O 1 ATOM 3617 C CB . TRP C 3 36 ? 39.177 -15.438 50.438 1.00 35.46 ? 36 TRP D CB 1 ATOM 3618 C CG . TRP C 3 36 ? 40.400 -16.134 50.881 1.00 35.74 ? 36 TRP D CG 1 ATOM 3619 C CD1 . TRP C 3 36 ? 41.557 -16.266 50.185 1.00 36.04 ? 36 TRP D CD1 1 ATOM 3620 C CD2 . TRP C 3 36 ? 40.594 -16.815 52.126 1.00 35.76 ? 36 TRP D CD2 1 ATOM 3621 N NE1 . TRP C 3 36 ? 42.471 -16.974 50.921 1.00 36.62 ? 36 TRP D NE1 1 ATOM 3622 C CE2 . TRP C 3 36 ? 41.907 -17.324 52.120 1.00 36.16 ? 36 TRP D CE2 1 ATOM 3623 C CE3 . TRP C 3 36 ? 39.789 -17.036 53.249 1.00 35.87 ? 36 TRP D CE3 1 ATOM 3624 C CZ2 . TRP C 3 36 ? 42.440 -18.048 53.194 1.00 36.39 ? 36 TRP D CZ2 1 ATOM 3625 C CZ3 . TRP C 3 36 ? 40.323 -17.757 54.330 1.00 36.31 ? 36 TRP D CZ3 1 ATOM 3626 C CH2 . TRP C 3 36 ? 41.638 -18.247 54.290 1.00 36.32 ? 36 TRP D CH2 1 ATOM 3627 N N . LEU C 3 37 ? 35.804 -16.016 50.532 1.00 35.94 ? 37 LEU D N 1 ATOM 3628 C CA . LEU C 3 37 ? 34.591 -15.209 50.707 1.00 36.91 ? 37 LEU D CA 1 ATOM 3629 C C . LEU C 3 37 ? 34.558 -14.682 52.132 1.00 37.71 ? 37 LEU D C 1 ATOM 3630 O O . LEU C 3 37 ? 35.196 -15.243 53.030 1.00 38.35 ? 37 LEU D O 1 ATOM 3631 C CB . LEU C 3 37 ? 33.308 -16.025 50.491 1.00 36.84 ? 37 LEU D CB 1 ATOM 3632 C CG . LEU C 3 37 ? 33.133 -17.049 49.368 1.00 36.97 ? 37 LEU D CG 1 ATOM 3633 C CD1 . LEU C 3 37 ? 31.654 -17.332 49.174 1.00 37.48 ? 37 LEU D CD1 1 ATOM 3634 C CD2 . LEU C 3 37 ? 33.705 -16.602 48.046 1.00 37.07 ? 37 LEU D CD2 1 ATOM 3635 N N . ARG C 3 38 ? 33.785 -13.626 52.345 1.00 38.56 ? 38 ARG D N 1 ATOM 3636 C CA . ARG C 3 38 ? 33.414 -13.219 53.695 1.00 39.37 ? 38 ARG D CA 1 ATOM 3637 C C . ARG C 3 38 ? 31.955 -12.811 53.771 1.00 39.19 ? 38 ARG D C 1 ATOM 3638 O O . ARG C 3 38 ? 31.377 -12.412 52.777 1.00 38.37 ? 38 ARG D O 1 ATOM 3639 C CB . ARG C 3 38 ? 34.300 -12.076 54.171 1.00 39.96 ? 38 ARG D CB 1 ATOM 3640 C CG . ARG C 3 38 ? 34.138 -10.806 53.367 1.00 40.50 ? 38 ARG D CG 1 ATOM 3641 C CD . ARG C 3 38 ? 34.867 -9.678 54.038 1.00 41.21 ? 38 ARG D CD 1 ATOM 3642 N NE . ARG C 3 38 ? 34.706 -8.427 53.301 1.00 41.99 ? 38 ARG D NE 1 ATOM 3643 C CZ . ARG C 3 38 ? 35.068 -7.235 53.767 1.00 42.27 ? 38 ARG D CZ 1 ATOM 3644 N NH1 . ARG C 3 38 ? 35.589 -7.110 54.991 1.00 42.35 ? 38 ARG D NH1 1 ATOM 3645 N NH2 . ARG C 3 38 ? 34.897 -6.159 53.008 1.00 42.38 ? 38 ARG D NH2 1 ATOM 3646 N N . GLN C 3 39 ? 31.380 -12.909 54.966 1.00 40.72 ? 39 GLN D N 1 ATOM 3647 C CA . GLN C 3 39 ? 30.035 -12.407 55.239 1.00 41.91 ? 39 GLN D CA 1 ATOM 3648 C C . GLN C 3 39 ? 30.084 -11.487 56.472 1.00 43.49 ? 39 GLN D C 1 ATOM 3649 O O . GLN C 3 39 ? 30.089 -11.965 57.607 1.00 43.03 ? 39 GLN D O 1 ATOM 3650 C CB . GLN C 3 39 ? 29.074 -13.574 55.430 1.00 41.79 ? 39 GLN D CB 1 ATOM 3651 C CG . GLN C 3 39 ? 27.631 -13.172 55.665 1.00 42.35 ? 39 GLN D CG 1 ATOM 3652 C CD . GLN C 3 39 ? 26.676 -14.340 55.566 1.00 42.70 ? 39 GLN D CD 1 ATOM 3653 O OE1 . GLN C 3 39 ? 27.095 -15.503 55.586 1.00 43.97 ? 39 GLN D OE1 1 ATOM 3654 N NE2 . GLN C 3 39 ? 25.383 -14.040 55.451 1.00 42.10 ? 39 GLN D NE2 1 ATOM 3655 N N . PRO C 3 40 ? 30.141 -10.156 56.250 1.00 45.76 ? 40 PRO D N 1 ATOM 3656 C CA . PRO C 3 40 ? 30.109 -9.210 57.363 1.00 47.62 ? 40 PRO D CA 1 ATOM 3657 C C . PRO C 3 40 ? 28.825 -9.247 58.191 1.00 49.40 ? 40 PRO D C 1 ATOM 3658 O O . PRO C 3 40 ? 27.818 -9.834 57.782 1.00 48.81 ? 40 PRO D O 1 ATOM 3659 C CB . PRO C 3 40 ? 30.251 -7.848 56.671 1.00 47.50 ? 40 PRO D CB 1 ATOM 3660 C CG . PRO C 3 40 ? 30.968 -8.153 55.411 1.00 47.10 ? 40 PRO D CG 1 ATOM 3661 C CD . PRO C 3 40 ? 30.392 -9.461 54.975 1.00 46.34 ? 40 PRO D CD 1 ATOM 3662 N N . SER C 3 41 ? 28.881 -8.606 59.352 1.00 52.20 ? 41 SER D N 1 ATOM 3663 C CA . SER C 3 41 ? 27.749 -8.574 60.269 1.00 54.38 ? 41 SER D CA 1 ATOM 3664 C C . SER C 3 41 ? 26.569 -7.791 59.674 1.00 55.52 ? 41 SER D C 1 ATOM 3665 O O . SER C 3 41 ? 26.735 -6.655 59.198 1.00 56.02 ? 41 SER D O 1 ATOM 3666 C CB . SER C 3 41 ? 28.178 -7.992 61.616 1.00 55.03 ? 41 SER D CB 1 ATOM 3667 O OG . SER C 3 41 ? 29.130 -8.853 62.220 1.00 55.23 ? 41 SER D OG 1 ATOM 3668 N N . GLY C 3 42 ? 25.392 -8.426 59.692 1.00 55.51 ? 42 GLY D N 1 ATOM 3669 C CA . GLY C 3 42 ? 24.182 -7.881 59.080 1.00 55.19 ? 42 GLY D CA 1 ATOM 3670 C C . GLY C 3 42 ? 24.321 -7.642 57.587 1.00 55.27 ? 42 GLY D C 1 ATOM 3671 O O . GLY C 3 42 ? 23.876 -6.606 57.086 1.00 55.70 ? 42 GLY D O 1 ATOM 3672 N N . LYS C 3 43 ? 24.956 -8.585 56.882 1.00 54.59 ? 43 LYS D N 1 ATOM 3673 C CA . LYS C 3 43 ? 25.167 -8.478 55.427 1.00 53.37 ? 43 LYS D CA 1 ATOM 3674 C C . LYS C 3 43 ? 25.200 -9.845 54.732 1.00 50.38 ? 43 LYS D C 1 ATOM 3675 O O . LYS C 3 43 ? 25.294 -10.894 55.378 1.00 48.24 ? 43 LYS D O 1 ATOM 3676 C CB . LYS C 3 43 ? 26.453 -7.693 55.123 1.00 54.58 ? 43 LYS D CB 1 ATOM 3677 C CG . LYS C 3 43 ? 26.346 -6.195 55.370 1.00 56.09 ? 43 LYS D CG 1 ATOM 3678 C CD . LYS C 3 43 ? 27.495 -5.430 54.732 1.00 57.42 ? 43 LYS D CD 1 ATOM 3679 C CE . LYS C 3 43 ? 27.556 -3.999 55.253 1.00 59.35 ? 43 LYS D CE 1 ATOM 3680 N NZ . LYS C 3 43 ? 28.762 -3.267 54.776 1.00 60.37 ? 43 LYS D NZ 1 ATOM 3681 N N . GLY C 3 44 ? 25.102 -9.808 53.406 1.00 48.55 ? 44 GLY D N 1 ATOM 3682 C CA . GLY C 3 44 ? 25.180 -11.014 52.578 1.00 47.28 ? 44 GLY D CA 1 ATOM 3683 C C . GLY C 3 44 ? 26.620 -11.356 52.211 1.00 45.44 ? 44 GLY D C 1 ATOM 3684 O O . GLY C 3 44 ? 27.516 -10.520 52.366 1.00 45.51 ? 44 GLY D O 1 ATOM 3685 N N . PRO C 3 45 ? 26.862 -12.587 51.725 1.00 43.39 ? 45 PRO D N 1 ATOM 3686 C CA . PRO C 3 45 ? 28.230 -12.924 51.331 1.00 42.88 ? 45 PRO D CA 1 ATOM 3687 C C . PRO C 3 45 ? 28.773 -12.080 50.172 1.00 42.62 ? 45 PRO D C 1 ATOM 3688 O O . PRO C 3 45 ? 27.997 -11.609 49.331 1.00 42.50 ? 45 PRO D O 1 ATOM 3689 C CB . PRO C 3 45 ? 28.127 -14.398 50.920 1.00 42.48 ? 45 PRO D CB 1 ATOM 3690 C CG . PRO C 3 45 ? 26.940 -14.910 51.647 1.00 42.51 ? 45 PRO D CG 1 ATOM 3691 C CD . PRO C 3 45 ? 25.980 -13.768 51.708 1.00 42.84 ? 45 PRO D CD 1 ATOM 3692 N N . GLU C 3 46 ? 30.091 -11.874 50.169 1.00 42.13 ? 46 GLU D N 1 ATOM 3693 C CA . GLU C 3 46 ? 30.812 -11.336 49.012 1.00 42.39 ? 46 GLU D CA 1 ATOM 3694 C C . GLU C 3 46 ? 32.080 -12.149 48.739 1.00 40.61 ? 46 GLU D C 1 ATOM 3695 O O . GLU C 3 46 ? 32.706 -12.671 49.661 1.00 40.26 ? 46 GLU D O 1 ATOM 3696 C CB . GLU C 3 46 ? 31.148 -9.851 49.181 1.00 43.82 ? 46 GLU D CB 1 ATOM 3697 C CG . GLU C 3 46 ? 31.691 -9.467 50.546 1.00 45.72 ? 46 GLU D CG 1 ATOM 3698 C CD . GLU C 3 46 ? 32.181 -8.026 50.598 1.00 47.34 ? 46 GLU D CD 1 ATOM 3699 O OE1 . GLU C 3 46 ? 33.188 -7.721 49.920 1.00 47.58 ? 46 GLU D OE1 1 ATOM 3700 O OE2 . GLU C 3 46 ? 31.563 -7.204 51.324 1.00 49.34 ? 46 GLU D OE2 1 ATOM 3701 N N . TRP C 3 47 ? 32.422 -12.266 47.456 1.00 38.92 ? 47 TRP D N 1 ATOM 3702 C CA . TRP C 3 47 ? 33.667 -12.899 47.007 1.00 37.65 ? 47 TRP D CA 1 ATOM 3703 C C . TRP C 3 47 ? 34.784 -11.869 47.116 1.00 37.09 ? 47 TRP D C 1 ATOM 3704 O O . TRP C 3 47 ? 34.614 -10.721 46.702 1.00 37.31 ? 47 TRP D O 1 ATOM 3705 C CB . TRP C 3 47 ? 33.514 -13.411 45.567 1.00 37.21 ? 47 TRP D CB 1 ATOM 3706 C CG . TRP C 3 47 ? 34.755 -13.937 44.931 1.00 36.79 ? 47 TRP D CG 1 ATOM 3707 C CD1 . TRP C 3 47 ? 35.336 -15.140 45.150 1.00 36.57 ? 47 TRP D CD1 1 ATOM 3708 C CD2 . TRP C 3 47 ? 35.553 -13.277 43.937 1.00 36.62 ? 47 TRP D CD2 1 ATOM 3709 N NE1 . TRP C 3 47 ? 36.463 -15.273 44.370 1.00 36.74 ? 47 TRP D NE1 1 ATOM 3710 C CE2 . TRP C 3 47 ? 36.618 -14.141 43.617 1.00 36.59 ? 47 TRP D CE2 1 ATOM 3711 C CE3 . TRP C 3 47 ? 35.470 -12.035 43.291 1.00 36.86 ? 47 TRP D CE3 1 ATOM 3712 C CZ2 . TRP C 3 47 ? 37.594 -13.812 42.670 1.00 37.12 ? 47 TRP D CZ2 1 ATOM 3713 C CZ3 . TRP C 3 47 ? 36.440 -11.700 42.353 1.00 37.13 ? 47 TRP D CZ3 1 ATOM 3714 C CH2 . TRP C 3 47 ? 37.497 -12.582 42.059 1.00 37.43 ? 47 TRP D CH2 1 ATOM 3715 N N . MET C 3 48 ? 35.906 -12.279 47.704 1.00 36.19 ? 48 MET D N 1 ATOM 3716 C CA . MET C 3 48 ? 37.059 -11.399 47.907 1.00 35.90 ? 48 MET D CA 1 ATOM 3717 C C . MET C 3 48 ? 38.126 -11.607 46.841 1.00 35.39 ? 48 MET D C 1 ATOM 3718 O O . MET C 3 48 ? 38.733 -10.652 46.361 1.00 35.41 ? 48 MET D O 1 ATOM 3719 C CB . MET C 3 48 ? 37.660 -11.626 49.295 1.00 35.67 ? 48 MET D CB 1 ATOM 3720 C CG . MET C 3 48 ? 36.680 -11.370 50.424 1.00 35.79 ? 48 MET D CG 1 ATOM 3721 S SD . MET C 3 48 ? 37.357 -11.737 52.055 1.00 36.08 ? 48 MET D SD 1 ATOM 3722 C CE . MET C 3 48 ? 38.393 -10.295 52.308 1.00 36.83 ? 48 MET D CE 1 ATOM 3723 N N . GLY C 3 49 ? 38.368 -12.858 46.480 1.00 35.09 ? 49 GLY D N 1 ATOM 3724 C CA . GLY C 3 49 ? 39.383 -13.163 45.484 1.00 35.30 ? 49 GLY D CA 1 ATOM 3725 C C . GLY C 3 49 ? 39.621 -14.645 45.349 1.00 35.00 ? 49 GLY D C 1 ATOM 3726 O O . GLY C 3 49 ? 38.959 -15.442 46.005 1.00 34.51 ? 49 GLY D O 1 ATOM 3727 N N . ARG C 3 50 ? 40.595 -14.991 44.513 1.00 35.43 ? 50 ARG D N 1 ATOM 3728 C CA . ARG C 3 50 ? 40.895 -16.376 44.168 1.00 35.86 ? 50 ARG D CA 1 ATOM 3729 C C . ARG C 3 50 ? 42.401 -16.628 44.152 1.00 36.20 ? 50 ARG D C 1 ATOM 3730 O O . ARG C 3 50 ? 43.166 -15.769 43.741 1.00 36.03 ? 50 ARG D O 1 ATOM 3731 C CB . ARG C 3 50 ? 40.286 -16.713 42.799 1.00 35.70 ? 50 ARG D CB 1 ATOM 3732 C CG . ARG C 3 50 ? 40.528 -18.136 42.346 1.00 36.04 ? 50 ARG D CG 1 ATOM 3733 C CD . ARG C 3 50 ? 39.764 -18.469 41.082 1.00 36.62 ? 50 ARG D CD 1 ATOM 3734 N NE . ARG C 3 50 ? 38.351 -18.719 41.369 1.00 36.56 ? 50 ARG D NE 1 ATOM 3735 C CZ . ARG C 3 50 ? 37.319 -17.985 40.953 1.00 37.31 ? 50 ARG D CZ 1 ATOM 3736 N NH1 . ARG C 3 50 ? 37.471 -16.912 40.175 1.00 37.60 ? 50 ARG D NH1 1 ATOM 3737 N NH2 . ARG C 3 50 ? 36.091 -18.341 41.317 1.00 38.00 ? 50 ARG D NH2 1 ATOM 3738 N N . MET C 3 51 ? 42.796 -17.803 44.635 1.00 37.15 ? 51 MET D N 1 ATOM 3739 C CA . MET C 3 51 ? 44.114 -18.370 44.396 1.00 38.94 ? 51 MET D CA 1 ATOM 3740 C C . MET C 3 51 ? 43.905 -19.408 43.293 1.00 38.35 ? 51 MET D C 1 ATOM 3741 O O . MET C 3 51 ? 43.346 -20.482 43.537 1.00 37.27 ? 51 MET D O 1 ATOM 3742 C CB . MET C 3 51 ? 44.670 -19.011 45.686 1.00 41.14 ? 51 MET D CB 1 ATOM 3743 C CG . MET C 3 51 ? 45.986 -19.785 45.556 1.00 42.75 ? 51 MET D CG 1 ATOM 3744 S SD . MET C 3 51 ? 47.314 -18.923 44.675 1.00 46.41 ? 51 MET D SD 1 ATOM 3745 C CE . MET C 3 51 ? 47.517 -17.488 45.713 1.00 45.65 ? 51 MET D CE 1 ATOM 3746 N N . TRP C 3 52 ? 44.310 -19.061 42.073 1.00 38.29 ? 52 TRP D N 1 ATOM 3747 C CA . TRP C 3 52 ? 44.098 -19.933 40.920 1.00 38.72 ? 52 TRP D CA 1 ATOM 3748 C C . TRP C 3 52 ? 44.934 -21.208 41.038 1.00 39.99 ? 52 TRP D C 1 ATOM 3749 O O . TRP C 3 52 ? 46.023 -21.214 41.657 1.00 40.50 ? 52 TRP D O 1 ATOM 3750 C CB . TRP C 3 52 ? 44.480 -19.235 39.618 1.00 38.48 ? 52 TRP D CB 1 ATOM 3751 C CG . TRP C 3 52 ? 43.527 -18.211 39.097 1.00 38.06 ? 52 TRP D CG 1 ATOM 3752 C CD1 . TRP C 3 52 ? 43.698 -16.857 39.091 1.00 37.99 ? 52 TRP D CD1 1 ATOM 3753 C CD2 . TRP C 3 52 ? 42.288 -18.460 38.424 1.00 38.06 ? 52 TRP D CD2 1 ATOM 3754 N NE1 . TRP C 3 52 ? 42.634 -16.245 38.474 1.00 37.90 ? 52 TRP D NE1 1 ATOM 3755 C CE2 . TRP C 3 52 ? 41.751 -17.207 38.059 1.00 37.85 ? 52 TRP D CE2 1 ATOM 3756 C CE3 . TRP C 3 52 ? 41.571 -19.622 38.103 1.00 38.15 ? 52 TRP D CE3 1 ATOM 3757 C CZ2 . TRP C 3 52 ? 40.530 -17.083 37.396 1.00 38.04 ? 52 TRP D CZ2 1 ATOM 3758 C CZ3 . TRP C 3 52 ? 40.355 -19.498 37.442 1.00 38.01 ? 52 TRP D CZ3 1 ATOM 3759 C CH2 . TRP C 3 52 ? 39.848 -18.238 37.094 1.00 38.03 ? 52 TRP D CH2 1 ATOM 3760 N N . ASP C 3 53 ? 44.424 -22.283 40.444 1.00 40.60 ? 53 ASP D N 1 ATOM 3761 C CA . ASP C 3 53 ? 45.190 -23.535 40.323 1.00 41.80 ? 53 ASP D CA 1 ATOM 3762 C C . ASP C 3 53 ? 46.613 -23.309 39.780 1.00 42.25 ? 53 ASP D C 1 ATOM 3763 O O . ASP C 3 53 ? 47.585 -23.835 40.324 1.00 43.41 ? 53 ASP D O 1 ATOM 3764 C CB . ASP C 3 53 ? 44.438 -24.585 39.475 1.00 42.43 ? 53 ASP D CB 1 ATOM 3765 C CG . ASP C 3 53 ? 43.911 -24.043 38.137 1.00 42.78 ? 53 ASP D CG 1 ATOM 3766 O OD1 . ASP C 3 53 ? 43.815 -22.814 37.939 1.00 43.38 ? 53 ASP D OD1 1 ATOM 3767 O OD2 . ASP C 3 53 ? 43.543 -24.868 37.283 1.00 43.57 ? 53 ASP D OD2 1 ATOM 3768 N N . ASP C 3 54 ? 46.723 -22.468 38.757 1.00 42.02 ? 54 ASP D N 1 ATOM 3769 C CA . ASP C 3 54 ? 47.987 -22.213 38.061 1.00 42.36 ? 54 ASP D CA 1 ATOM 3770 C C . ASP C 3 54 ? 48.982 -21.308 38.799 1.00 42.40 ? 54 ASP D C 1 ATOM 3771 O O . ASP C 3 54 ? 50.010 -20.940 38.215 1.00 44.13 ? 54 ASP D O 1 ATOM 3772 C CB . ASP C 3 54 ? 47.702 -21.629 36.662 1.00 42.21 ? 54 ASP D CB 1 ATOM 3773 C CG . ASP C 3 54 ? 47.045 -20.240 36.712 1.00 41.93 ? 54 ASP D CG 1 ATOM 3774 O OD1 . ASP C 3 54 ? 47.386 -19.426 37.597 1.00 41.00 ? 54 ASP D OD1 1 ATOM 3775 O OD2 . ASP C 3 54 ? 46.170 -19.958 35.857 1.00 42.50 ? 54 ASP D OD2 1 ATOM 3776 N N . GLY C 3 55 ? 48.668 -20.893 40.027 1.00 41.41 ? 55 GLY D N 1 ATOM 3777 C CA . GLY C 3 55 ? 49.601 -20.112 40.846 1.00 41.19 ? 55 GLY D CA 1 ATOM 3778 C C . GLY C 3 55 ? 49.313 -18.626 40.998 1.00 40.66 ? 55 GLY D C 1 ATOM 3779 O O . GLY C 3 55 ? 49.733 -18.020 41.993 1.00 41.96 ? 55 GLY D O 1 ATOM 3780 N N . GLY C 3 56 ? 48.611 -18.028 40.036 1.00 39.32 ? 56 GLY D N 1 ATOM 3781 C CA . GLY C 3 56 ? 48.277 -16.608 40.104 1.00 38.46 ? 56 GLY D CA 1 ATOM 3782 C C . GLY C 3 56 ? 47.075 -16.281 40.980 1.00 37.56 ? 56 GLY D C 1 ATOM 3783 O O . GLY C 3 56 ? 46.529 -17.151 41.673 1.00 37.61 ? 56 GLY D O 1 ATOM 3784 N N . THR C 3 57 ? 46.666 -15.015 40.932 1.00 36.71 ? 57 THR D N 1 ATOM 3785 C CA . THR C 3 57 ? 45.565 -14.490 41.728 1.00 35.89 ? 57 THR D CA 1 ATOM 3786 C C . THR C 3 57 ? 44.665 -13.534 40.960 1.00 35.41 ? 57 THR D C 1 ATOM 3787 O O . THR C 3 57 ? 45.082 -12.910 39.992 1.00 35.51 ? 57 THR D O 1 ATOM 3788 C CB . THR C 3 57 ? 46.084 -13.705 42.949 1.00 36.29 ? 57 THR D CB 1 ATOM 3789 O OG1 . THR C 3 57 ? 47.042 -12.721 42.537 1.00 36.75 ? 57 THR D OG1 1 ATOM 3790 C CG2 . THR C 3 57 ? 46.720 -14.628 43.931 1.00 36.56 ? 57 THR D CG2 1 ATOM 3791 N N . VAL C 3 58 ? 43.422 -13.427 41.414 1.00 35.27 ? 58 VAL D N 1 ATOM 3792 C CA . VAL C 3 58 ? 42.519 -12.358 40.979 1.00 35.60 ? 58 VAL D CA 1 ATOM 3793 C C . VAL C 3 58 ? 41.740 -11.852 42.191 1.00 35.89 ? 58 VAL D C 1 ATOM 3794 O O . VAL C 3 58 ? 41.382 -12.636 43.073 1.00 35.86 ? 58 VAL D O 1 ATOM 3795 C CB . VAL C 3 58 ? 41.579 -12.795 39.812 1.00 34.76 ? 58 VAL D CB 1 ATOM 3796 C CG1 . VAL C 3 58 ? 40.678 -13.962 40.201 1.00 34.22 ? 58 VAL D CG1 1 ATOM 3797 C CG2 . VAL C 3 58 ? 40.759 -11.620 39.315 1.00 34.45 ? 58 VAL D CG2 1 ATOM 3798 N N . TYR C 3 59 ? 41.497 -10.544 42.228 1.00 36.86 ? 59 TYR D N 1 ATOM 3799 C CA . TYR C 3 59 ? 40.846 -9.906 43.359 1.00 37.80 ? 59 TYR D CA 1 ATOM 3800 C C . TYR C 3 59 ? 39.562 -9.228 42.937 1.00 38.44 ? 59 TYR D C 1 ATOM 3801 O O . TYR C 3 59 ? 39.417 -8.822 41.790 1.00 39.13 ? 59 TYR D O 1 ATOM 3802 C CB . TYR C 3 59 ? 41.781 -8.880 44.001 1.00 38.54 ? 59 TYR D CB 1 ATOM 3803 C CG . TYR C 3 59 ? 43.092 -9.471 44.474 1.00 38.95 ? 59 TYR D CG 1 ATOM 3804 C CD1 . TYR C 3 59 ? 43.219 -10.005 45.756 1.00 38.95 ? 59 TYR D CD1 1 ATOM 3805 C CD2 . TYR C 3 59 ? 44.207 -9.507 43.632 1.00 39.31 ? 59 TYR D CD2 1 ATOM 3806 C CE1 . TYR C 3 59 ? 44.420 -10.550 46.194 1.00 39.18 ? 59 TYR D CE1 1 ATOM 3807 C CE2 . TYR C 3 59 ? 45.407 -10.049 44.057 1.00 39.80 ? 59 TYR D CE2 1 ATOM 3808 C CZ . TYR C 3 59 ? 45.507 -10.570 45.339 1.00 39.88 ? 59 TYR D CZ 1 ATOM 3809 O OH . TYR C 3 59 ? 46.693 -11.115 45.750 1.00 40.54 ? 59 TYR D OH 1 ATOM 3810 N N . ASN C 3 60 ? 38.620 -9.161 43.876 1.00 39.08 ? 60 ASN D N 1 ATOM 3811 C CA . ASN C 3 60 ? 37.506 -8.224 43.853 1.00 39.64 ? 60 ASN D CA 1 ATOM 3812 C C . ASN C 3 60 ? 38.126 -6.830 43.750 1.00 41.68 ? 60 ASN D C 1 ATOM 3813 O O . ASN C 3 60 ? 38.921 -6.459 44.608 1.00 42.64 ? 60 ASN D O 1 ATOM 3814 C CB . ASN C 3 60 ? 36.709 -8.393 45.163 1.00 39.03 ? 60 ASN D CB 1 ATOM 3815 C CG . ASN C 3 60 ? 35.571 -7.392 45.329 1.00 38.42 ? 60 ASN D CG 1 ATOM 3816 O OD1 . ASN C 3 60 ? 35.694 -6.222 44.989 1.00 38.81 ? 60 ASN D OD1 1 ATOM 3817 N ND2 . ASN C 3 60 ? 34.468 -7.852 45.900 1.00 37.26 ? 60 ASN D ND2 1 ATOM 3818 N N . SER C 3 61 ? 37.757 -6.071 42.716 1.00 43.66 ? 61 SER D N 1 ATOM 3819 C CA . SER C 3 61 ? 38.378 -4.769 42.410 1.00 45.38 ? 61 SER D CA 1 ATOM 3820 C C . SER C 3 61 ? 38.241 -3.753 43.542 1.00 46.91 ? 61 SER D C 1 ATOM 3821 O O . SER C 3 61 ? 39.168 -2.987 43.802 1.00 47.90 ? 61 SER D O 1 ATOM 3822 C CB . SER C 3 61 ? 37.809 -4.175 41.109 1.00 45.90 ? 61 SER D CB 1 ATOM 3823 O OG . SER C 3 61 ? 36.477 -3.721 41.283 1.00 46.41 ? 61 SER D OG 1 ATOM 3824 N N . GLY C 3 62 ? 37.092 -3.761 44.213 1.00 47.96 ? 62 GLY D N 1 ATOM 3825 C CA . GLY C 3 62 ? 36.870 -2.916 45.387 1.00 49.67 ? 62 GLY D CA 1 ATOM 3826 C C . GLY C 3 62 ? 37.780 -3.170 46.585 1.00 50.79 ? 62 GLY D C 1 ATOM 3827 O O . GLY C 3 62 ? 37.993 -2.266 47.390 1.00 52.09 ? 62 GLY D O 1 ATOM 3828 N N . LEU C 3 63 ? 38.299 -4.392 46.716 1.00 51.16 ? 63 LEU D N 1 ATOM 3829 C CA . LEU C 3 63 ? 39.214 -4.755 47.808 1.00 51.97 ? 63 LEU D CA 1 ATOM 3830 C C . LEU C 3 63 ? 40.680 -4.925 47.382 1.00 52.59 ? 63 LEU D C 1 ATOM 3831 O O . LEU C 3 63 ? 41.532 -5.199 48.238 1.00 52.31 ? 63 LEU D O 1 ATOM 3832 C CB . LEU C 3 63 ? 38.733 -6.053 48.467 1.00 52.05 ? 63 LEU D CB 1 ATOM 3833 C CG . LEU C 3 63 ? 37.441 -5.952 49.280 1.00 51.70 ? 63 LEU D CG 1 ATOM 3834 C CD1 . LEU C 3 63 ? 36.885 -7.334 49.603 1.00 51.11 ? 63 LEU D CD1 1 ATOM 3835 C CD2 . LEU C 3 63 ? 37.680 -5.146 50.545 1.00 52.03 ? 63 LEU D CD2 1 ATOM 3836 N N . LYS C 3 64 ? 40.980 -4.729 46.092 1.00 52.94 ? 64 LYS D N 1 ATOM 3837 C CA . LYS C 3 64 ? 42.287 -5.108 45.521 1.00 53.86 ? 64 LYS D CA 1 ATOM 3838 C C . LYS C 3 64 ? 43.484 -4.454 46.219 1.00 54.00 ? 64 LYS D C 1 ATOM 3839 O O . LYS C 3 64 ? 44.496 -5.109 46.466 1.00 53.44 ? 64 LYS D O 1 ATOM 3840 C CB . LYS C 3 64 ? 42.334 -4.799 44.016 1.00 54.89 ? 64 LYS D CB 1 ATOM 3841 C CG . LYS C 3 64 ? 43.577 -5.329 43.300 1.00 55.64 ? 64 LYS D CG 1 ATOM 3842 C CD . LYS C 3 64 ? 43.607 -4.889 41.847 1.00 56.91 ? 64 LYS D CD 1 ATOM 3843 C CE . LYS C 3 64 ? 44.925 -5.245 41.173 1.00 57.86 ? 64 LYS D CE 1 ATOM 3844 N NZ . LYS C 3 64 ? 45.145 -6.715 41.088 1.00 58.12 ? 64 LYS D NZ 1 ATOM 3845 N N . SER C 3 65 ? 43.356 -3.169 46.526 1.00 54.85 ? 65 SER D N 1 ATOM 3846 C CA . SER C 3 65 ? 44.432 -2.400 47.159 1.00 56.18 ? 65 SER D CA 1 ATOM 3847 C C . SER C 3 65 ? 44.714 -2.814 48.607 1.00 56.12 ? 65 SER D C 1 ATOM 3848 O O . SER C 3 65 ? 45.811 -2.577 49.104 1.00 55.86 ? 65 SER D O 1 ATOM 3849 C CB . SER C 3 65 ? 44.103 -0.907 47.112 1.00 57.18 ? 65 SER D CB 1 ATOM 3850 O OG . SER C 3 65 ? 42.825 -0.666 47.672 1.00 57.45 ? 65 SER D OG 1 ATOM 3851 N N . ARG C 3 66 ? 43.734 -3.424 49.275 1.00 55.92 ? 66 ARG D N 1 ATOM 3852 C CA . ARG C 3 66 ? 43.914 -3.896 50.653 1.00 56.27 ? 66 ARG D CA 1 ATOM 3853 C C . ARG C 3 66 ? 44.413 -5.337 50.789 1.00 54.97 ? 66 ARG D C 1 ATOM 3854 O O . ARG C 3 66 ? 44.873 -5.719 51.869 1.00 54.28 ? 66 ARG D O 1 ATOM 3855 C CB . ARG C 3 66 ? 42.604 -3.766 51.423 1.00 57.06 ? 66 ARG D CB 1 ATOM 3856 C CG . ARG C 3 66 ? 42.110 -2.336 51.572 1.00 58.72 ? 66 ARG D CG 1 ATOM 3857 C CD . ARG C 3 66 ? 40.709 -2.316 52.157 1.00 59.39 ? 66 ARG D CD 1 ATOM 3858 N NE . ARG C 3 66 ? 40.683 -3.049 53.411 1.00 60.08 ? 66 ARG D NE 1 ATOM 3859 C CZ . ARG C 3 66 ? 39.589 -3.415 54.074 1.00 60.24 ? 66 ARG D CZ 1 ATOM 3860 N NH1 . ARG C 3 66 ? 38.364 -3.118 53.636 1.00 59.92 ? 66 ARG D NH1 1 ATOM 3861 N NH2 . ARG C 3 66 ? 39.741 -4.097 55.202 1.00 60.39 ? 66 ARG D NH2 1 ATOM 3862 N N . LEU C 3 67 ? 44.322 -6.128 49.716 1.00 53.64 ? 67 LEU D N 1 ATOM 3863 C CA . LEU C 3 67 ? 44.485 -7.577 49.810 1.00 52.27 ? 67 LEU D CA 1 ATOM 3864 C C . LEU C 3 67 ? 45.743 -8.127 49.170 1.00 51.77 ? 67 LEU D C 1 ATOM 3865 O O . LEU C 3 67 ? 46.355 -7.505 48.305 1.00 53.74 ? 67 LEU D O 1 ATOM 3866 C CB . LEU C 3 67 ? 43.308 -8.278 49.145 1.00 51.86 ? 67 LEU D CB 1 ATOM 3867 C CG . LEU C 3 67 ? 41.921 -8.102 49.735 1.00 51.96 ? 67 LEU D CG 1 ATOM 3868 C CD1 . LEU C 3 67 ? 40.952 -8.827 48.816 1.00 51.76 ? 67 LEU D CD1 1 ATOM 3869 C CD2 . LEU C 3 67 ? 41.813 -8.623 51.162 1.00 52.19 ? 67 LEU D CD2 1 ATOM 3870 N N . SER C 3 68 ? 46.109 -9.317 49.623 1.00 50.55 ? 68 SER D N 1 ATOM 3871 C CA . SER C 3 68 ? 47.015 -10.183 48.896 1.00 50.47 ? 68 SER D CA 1 ATOM 3872 C C . SER C 3 68 ? 46.680 -11.637 49.256 1.00 48.96 ? 68 SER D C 1 ATOM 3873 O O . SER C 3 68 ? 46.301 -11.926 50.402 1.00 47.77 ? 68 SER D O 1 ATOM 3874 C CB . SER C 3 68 ? 48.476 -9.834 49.197 1.00 51.93 ? 68 SER D CB 1 ATOM 3875 O OG . SER C 3 68 ? 48.843 -10.203 50.513 1.00 53.08 ? 68 SER D OG 1 ATOM 3876 N N . ILE C 3 69 ? 46.779 -12.529 48.265 1.00 47.80 ? 69 ILE D N 1 ATOM 3877 C CA . ILE C 3 69 ? 46.483 -13.952 48.445 1.00 47.22 ? 69 ILE D CA 1 ATOM 3878 C C . ILE C 3 69 ? 47.715 -14.750 48.032 1.00 47.30 ? 69 ILE D C 1 ATOM 3879 O O . ILE C 3 69 ? 48.379 -14.410 47.054 1.00 47.62 ? 69 ILE D O 1 ATOM 3880 C CB . ILE C 3 69 ? 45.238 -14.398 47.641 1.00 46.80 ? 69 ILE D CB 1 ATOM 3881 C CG1 . ILE C 3 69 ? 43.990 -13.618 48.081 1.00 47.17 ? 69 ILE D CG1 1 ATOM 3882 C CG2 . ILE C 3 69 ? 44.946 -15.878 47.856 1.00 46.61 ? 69 ILE D CG2 1 ATOM 3883 C CD1 . ILE C 3 69 ? 42.882 -13.577 47.046 1.00 46.79 ? 69 ILE D CD1 1 ATOM 3884 N N . SER C 3 70 ? 48.007 -15.809 48.784 1.00 47.60 ? 70 SER D N 1 ATOM 3885 C CA . SER C 3 70 ? 49.190 -16.631 48.561 1.00 49.06 ? 70 SER D CA 1 ATOM 3886 C C . SER C 3 70 ? 48.955 -18.061 49.039 1.00 49.48 ? 70 SER D C 1 ATOM 3887 O O . SER C 3 70 ? 47.939 -18.342 49.680 1.00 48.79 ? 70 SER D O 1 ATOM 3888 C CB . SER C 3 70 ? 50.388 -16.025 49.286 1.00 50.12 ? 70 SER D CB 1 ATOM 3889 O OG . SER C 3 70 ? 50.190 -16.044 50.691 1.00 51.30 ? 70 SER D OG 1 ATOM 3890 N N . ARG C 3 71 ? 49.904 -18.947 48.734 1.00 50.08 ? 71 ARG D N 1 ATOM 3891 C CA . ARG C 3 71 ? 49.802 -20.359 49.092 1.00 50.57 ? 71 ARG D CA 1 ATOM 3892 C C . ARG C 3 71 ? 51.157 -21.035 49.211 1.00 51.50 ? 71 ARG D C 1 ATOM 3893 O O . ARG C 3 71 ? 52.116 -20.643 48.546 1.00 51.78 ? 71 ARG D O 1 ATOM 3894 C CB . ARG C 3 71 ? 48.964 -21.115 48.055 1.00 50.80 ? 71 ARG D CB 1 ATOM 3895 C CG . ARG C 3 71 ? 49.567 -21.169 46.660 1.00 51.30 ? 71 ARG D CG 1 ATOM 3896 C CD . ARG C 3 71 ? 48.807 -22.115 45.746 1.00 51.66 ? 71 ARG D CD 1 ATOM 3897 N NE . ARG C 3 71 ? 49.478 -22.280 44.452 1.00 51.96 ? 71 ARG D NE 1 ATOM 3898 C CZ . ARG C 3 71 ? 48.998 -22.970 43.417 1.00 51.64 ? 71 ARG D CZ 1 ATOM 3899 N NH1 . ARG C 3 71 ? 47.816 -23.573 43.476 1.00 51.79 ? 71 ARG D NH1 1 ATOM 3900 N NH2 . ARG C 3 71 ? 49.709 -23.050 42.301 1.00 52.26 ? 71 ARG D NH2 1 ATOM 3901 N N . ASP C 3 72 ? 51.215 -22.060 50.056 1.00 52.51 ? 72 ASP D N 1 ATOM 3902 C CA . ASP C 3 72 ? 52.357 -22.959 50.135 1.00 54.28 ? 72 ASP D CA 1 ATOM 3903 C C . ASP C 3 72 ? 51.831 -24.351 49.825 1.00 54.84 ? 72 ASP D C 1 ATOM 3904 O O . ASP C 3 72 ? 51.201 -24.992 50.668 1.00 54.39 ? 72 ASP D O 1 ATOM 3905 C CB . ASP C 3 72 ? 53.012 -22.909 51.523 1.00 55.77 ? 72 ASP D CB 1 ATOM 3906 C CG . ASP C 3 72 ? 54.477 -23.348 51.506 1.00 57.16 ? 72 ASP D CG 1 ATOM 3907 O OD1 . ASP C 3 72 ? 54.847 -24.246 50.720 1.00 57.82 ? 72 ASP D OD1 1 ATOM 3908 O OD2 . ASP C 3 72 ? 55.267 -22.780 52.289 1.00 59.06 ? 72 ASP D OD2 1 ATOM 3909 N N . THR C 3 73 ? 52.096 -24.814 48.607 1.00 56.31 ? 73 THR D N 1 ATOM 3910 C CA . THR C 3 73 ? 51.548 -26.082 48.126 1.00 56.97 ? 73 THR D CA 1 ATOM 3911 C C . THR C 3 73 ? 52.110 -27.267 48.910 1.00 57.99 ? 73 THR D C 1 ATOM 3912 O O . THR C 3 73 ? 51.386 -28.223 49.178 1.00 58.37 ? 73 THR D O 1 ATOM 3913 C CB . THR C 3 73 ? 51.792 -26.283 46.614 1.00 57.03 ? 73 THR D CB 1 ATOM 3914 O OG1 . THR C 3 73 ? 53.196 -26.359 46.346 1.00 57.48 ? 73 THR D OG1 1 ATOM 3915 C CG2 . THR C 3 73 ? 51.177 -25.134 45.807 1.00 56.61 ? 73 THR D CG2 1 ATOM 3916 N N . SER C 3 74 ? 53.380 -27.184 49.305 1.00 58.94 ? 74 SER D N 1 ATOM 3917 C CA . SER C 3 74 ? 53.993 -28.204 50.162 1.00 60.51 ? 74 SER D CA 1 ATOM 3918 C C . SER C 3 74 ? 53.310 -28.372 51.531 1.00 60.55 ? 74 SER D C 1 ATOM 3919 O O . SER C 3 74 ? 53.358 -29.460 52.106 1.00 61.15 ? 74 SER D O 1 ATOM 3920 C CB . SER C 3 74 ? 55.476 -27.903 50.359 1.00 61.46 ? 74 SER D CB 1 ATOM 3921 O OG . SER C 3 74 ? 55.655 -26.611 50.905 1.00 61.96 ? 74 SER D OG 1 ATOM 3922 N N . LYS C 3 75 ? 52.692 -27.303 52.043 1.00 60.98 ? 75 LYS D N 1 ATOM 3923 C CA . LYS C 3 75 ? 51.906 -27.347 53.298 1.00 61.59 ? 75 LYS D CA 1 ATOM 3924 C C . LYS C 3 75 ? 50.404 -27.616 53.098 1.00 59.87 ? 75 LYS D C 1 ATOM 3925 O O . LYS C 3 75 ? 49.684 -27.861 54.087 1.00 59.13 ? 75 LYS D O 1 ATOM 3926 C CB . LYS C 3 75 ? 52.055 -26.030 54.069 1.00 62.81 ? 75 LYS D CB 1 ATOM 3927 C CG . LYS C 3 75 ? 53.493 -25.605 54.313 1.00 65.14 ? 75 LYS D CG 1 ATOM 3928 C CD . LYS C 3 75 ? 53.564 -24.359 55.181 1.00 66.13 ? 75 LYS D CD 1 ATOM 3929 C CE . LYS C 3 75 ? 55.000 -24.023 55.553 1.00 67.35 ? 75 LYS D CE 1 ATOM 3930 N NZ . LYS C 3 75 ? 55.037 -23.185 56.781 1.00 68.41 ? 75 LYS D NZ 1 ATOM 3931 N N . ASN C 3 76 ? 49.945 -27.581 51.836 1.00 57.43 ? 76 ASN D N 1 ATOM 3932 C CA . ASN C 3 76 ? 48.514 -27.586 51.479 1.00 54.63 ? 76 ASN D CA 1 ATOM 3933 C C . ASN C 3 76 ? 47.790 -26.425 52.183 1.00 51.33 ? 76 ASN D C 1 ATOM 3934 O O . ASN C 3 76 ? 46.782 -26.617 52.874 1.00 50.23 ? 76 ASN D O 1 ATOM 3935 C CB . ASN C 3 76 ? 47.867 -28.965 51.786 1.00 55.38 ? 76 ASN D CB 1 ATOM 3936 C CG . ASN C 3 76 ? 47.644 -29.823 50.545 1.00 55.86 ? 76 ASN D CG 1 ATOM 3937 O OD1 . ASN C 3 76 ? 47.810 -29.378 49.400 1.00 56.04 ? 76 ASN D OD1 1 ATOM 3938 N ND2 . ASN C 3 76 ? 47.233 -31.069 50.774 1.00 55.90 ? 76 ASN D ND2 1 ATOM 3939 N N . GLN C 3 77 ? 48.334 -25.223 52.010 1.00 48.38 ? 77 GLN D N 1 ATOM 3940 C CA . GLN C 3 77 ? 47.832 -24.045 52.703 1.00 47.10 ? 77 GLN D CA 1 ATOM 3941 C C . GLN C 3 77 ? 47.646 -22.863 51.761 1.00 45.89 ? 77 GLN D C 1 ATOM 3942 O O . GLN C 3 77 ? 48.506 -22.599 50.934 1.00 45.72 ? 77 GLN D O 1 ATOM 3943 C CB . GLN C 3 77 ? 48.766 -23.655 53.862 1.00 46.81 ? 77 GLN D CB 1 ATOM 3944 C CG . GLN C 3 77 ? 48.691 -24.597 55.057 1.00 46.31 ? 77 GLN D CG 1 ATOM 3945 C CD . GLN C 3 77 ? 49.345 -24.048 56.318 1.00 45.79 ? 77 GLN D CD 1 ATOM 3946 O OE1 . GLN C 3 77 ? 50.421 -23.449 56.281 1.00 45.56 ? 77 GLN D OE1 1 ATOM 3947 N NE2 . GLN C 3 77 ? 48.705 -24.279 57.445 1.00 45.16 ? 77 GLN D NE2 1 ATOM 3948 N N . VAL C 3 78 ? 46.511 -22.171 51.898 1.00 44.76 ? 78 VAL D N 1 ATOM 3949 C CA . VAL C 3 78 ? 46.280 -20.862 51.266 1.00 43.94 ? 78 VAL D CA 1 ATOM 3950 C C . VAL C 3 78 ? 46.249 -19.800 52.367 1.00 44.05 ? 78 VAL D C 1 ATOM 3951 O O . VAL C 3 78 ? 45.840 -20.089 53.498 1.00 43.98 ? 78 VAL D O 1 ATOM 3952 C CB . VAL C 3 78 ? 44.959 -20.841 50.481 1.00 42.63 ? 78 VAL D CB 1 ATOM 3953 C CG1 . VAL C 3 78 ? 44.826 -19.569 49.664 1.00 42.07 ? 78 VAL D CG1 1 ATOM 3954 C CG2 . VAL C 3 78 ? 44.879 -22.062 49.580 1.00 43.28 ? 78 VAL D CG2 1 ATOM 3955 N N . PHE C 3 79 ? 46.687 -18.586 52.035 1.00 44.03 ? 79 PHE D N 1 ATOM 3956 C CA . PHE C 3 79 ? 46.742 -17.480 52.989 1.00 44.93 ? 79 PHE D CA 1 ATOM 3957 C C . PHE C 3 79 ? 46.055 -16.244 52.420 1.00 45.26 ? 79 PHE D C 1 ATOM 3958 O O . PHE C 3 79 ? 46.139 -15.982 51.229 1.00 45.90 ? 79 PHE D O 1 ATOM 3959 C CB . PHE C 3 79 ? 48.200 -17.122 53.346 1.00 45.48 ? 79 PHE D CB 1 ATOM 3960 C CG . PHE C 3 79 ? 49.052 -18.302 53.729 1.00 45.43 ? 79 PHE D CG 1 ATOM 3961 C CD1 . PHE C 3 79 ? 48.947 -18.864 54.991 1.00 44.96 ? 79 PHE D CD1 1 ATOM 3962 C CD2 . PHE C 3 79 ? 49.966 -18.853 52.822 1.00 45.81 ? 79 PHE D CD2 1 ATOM 3963 C CE1 . PHE C 3 79 ? 49.723 -19.956 55.350 1.00 45.25 ? 79 PHE D CE1 1 ATOM 3964 C CE2 . PHE C 3 79 ? 50.743 -19.952 53.173 1.00 45.81 ? 79 PHE D CE2 1 ATOM 3965 C CZ . PHE C 3 79 ? 50.620 -20.501 54.439 1.00 45.89 ? 79 PHE D CZ 1 ATOM 3966 N N . LEU C 3 80 ? 45.383 -15.491 53.283 1.00 46.16 ? 80 LEU D N 1 ATOM 3967 C CA . LEU C 3 80 ? 44.886 -14.159 52.947 1.00 47.14 ? 80 LEU D CA 1 ATOM 3968 C C . LEU C 3 80 ? 45.529 -13.131 53.862 1.00 48.49 ? 80 LEU D C 1 ATOM 3969 O O . LEU C 3 80 ? 45.641 -13.358 55.065 1.00 47.61 ? 80 LEU D O 1 ATOM 3970 C CB . LEU C 3 80 ? 43.365 -14.091 53.125 1.00 46.93 ? 80 LEU D CB 1 ATOM 3971 C CG . LEU C 3 80 ? 42.689 -12.738 52.869 1.00 46.84 ? 80 LEU D CG 1 ATOM 3972 C CD1 . LEU C 3 80 ? 43.005 -12.238 51.461 1.00 47.73 ? 80 LEU D CD1 1 ATOM 3973 C CD2 . LEU C 3 80 ? 41.193 -12.856 53.073 1.00 46.51 ? 80 LEU D CD2 1 ATOM 3974 N N . LYS C 3 81 ? 45.937 -12.003 53.288 1.00 50.59 ? 81 LYS D N 1 ATOM 3975 C CA . LYS C 3 81 ? 46.384 -10.847 54.062 1.00 52.81 ? 81 LYS D CA 1 ATOM 3976 C C . LYS C 3 81 ? 45.506 -9.658 53.722 1.00 52.52 ? 81 LYS D C 1 ATOM 3977 O O . LYS C 3 81 ? 45.168 -9.458 52.559 1.00 51.04 ? 81 LYS D O 1 ATOM 3978 C CB . LYS C 3 81 ? 47.867 -10.548 53.791 1.00 54.44 ? 81 LYS D CB 1 ATOM 3979 C CG . LYS C 3 81 ? 48.803 -11.213 54.796 1.00 56.19 ? 81 LYS D CG 1 ATOM 3980 C CD . LYS C 3 81 ? 50.005 -11.890 54.150 1.00 58.11 ? 81 LYS D CD 1 ATOM 3981 C CE . LYS C 3 81 ? 50.626 -12.926 55.083 1.00 59.31 ? 81 LYS D CE 1 ATOM 3982 N NZ . LYS C 3 81 ? 51.625 -13.795 54.392 1.00 59.93 ? 81 LYS D NZ 1 ATOM 3983 N N . MET C 3 82 ? 45.131 -8.893 54.746 1.00 54.01 ? 82 MET D N 1 ATOM 3984 C CA . MET C 3 82 ? 44.275 -7.719 54.582 1.00 56.28 ? 82 MET D CA 1 ATOM 3985 C C . MET C 3 82 ? 44.647 -6.610 55.570 1.00 57.55 ? 82 MET D C 1 ATOM 3986 O O . MET C 3 82 ? 44.740 -6.849 56.775 1.00 57.30 ? 82 MET D O 1 ATOM 3987 C CB . MET C 3 82 ? 42.817 -8.116 54.766 1.00 57.19 ? 82 MET D CB 1 ATOM 3988 C CG . MET C 3 82 ? 41.825 -7.068 54.298 1.00 59.29 ? 82 MET D CG 1 ATOM 3989 S SD . MET C 3 82 ? 40.146 -7.725 54.373 1.00 62.83 ? 82 MET D SD 1 ATOM 3990 C CE . MET C 3 82 ? 39.265 -6.672 53.224 1.00 61.98 ? 82 MET D CE 1 ATOM 3991 N N . ASN C 3 83 ? 44.830 -5.395 55.053 1.00 59.15 ? 83 ASN D N 1 ATOM 3992 C CA . ASN C 3 83 ? 45.298 -4.258 55.857 1.00 61.01 ? 83 ASN D CA 1 ATOM 3993 C C . ASN C 3 83 ? 44.269 -3.116 55.910 1.00 61.38 ? 83 ASN D C 1 ATOM 3994 O O . ASN C 3 83 ? 43.184 -3.224 55.333 1.00 59.67 ? 83 ASN D O 1 ATOM 3995 C CB . ASN C 3 83 ? 46.680 -3.787 55.354 1.00 62.08 ? 83 ASN D CB 1 ATOM 3996 C CG . ASN C 3 83 ? 46.657 -3.267 53.927 1.00 62.13 ? 83 ASN D CG 1 ATOM 3997 O OD1 . ASN C 3 83 ? 45.657 -2.727 53.458 1.00 62.34 ? 83 ASN D OD1 1 ATOM 3998 N ND2 . ASN C 3 83 ? 47.779 -3.414 53.234 1.00 62.41 ? 83 ASN D ND2 1 ATOM 3999 N N . SER C 3 84 ? 44.620 -2.042 56.622 1.00 63.70 ? 84 SER D N 1 ATOM 4000 C CA . SER C 3 84 ? 43.757 -0.865 56.816 1.00 64.68 ? 84 SER D CA 1 ATOM 4001 C C . SER C 3 84 ? 42.335 -1.280 57.178 1.00 63.10 ? 84 SER D C 1 ATOM 4002 O O . SER C 3 84 ? 41.378 -0.974 56.465 1.00 60.79 ? 84 SER D O 1 ATOM 4003 C CB . SER C 3 84 ? 43.779 0.051 55.586 1.00 65.85 ? 84 SER D CB 1 ATOM 4004 O OG . SER C 3 84 ? 43.054 -0.510 54.508 1.00 67.67 ? 84 SER D OG 1 ATOM 4005 N N . LEU C 3 85 ? 42.228 -2.000 58.291 1.00 63.39 ? 85 LEU D N 1 ATOM 4006 C CA . LEU C 3 85 ? 40.965 -2.572 58.724 1.00 63.62 ? 85 LEU D CA 1 ATOM 4007 C C . LEU C 3 85 ? 40.050 -1.509 59.334 1.00 66.23 ? 85 LEU D C 1 ATOM 4008 O O . LEU C 3 85 ? 40.482 -0.403 59.678 1.00 67.79 ? 85 LEU D O 1 ATOM 4009 C CB . LEU C 3 85 ? 41.195 -3.693 59.734 1.00 63.20 ? 85 LEU D CB 1 ATOM 4010 C CG . LEU C 3 85 ? 42.039 -4.892 59.295 1.00 63.14 ? 85 LEU D CG 1 ATOM 4011 C CD1 . LEU C 3 85 ? 42.385 -5.759 60.497 1.00 63.57 ? 85 LEU D CD1 1 ATOM 4012 C CD2 . LEU C 3 85 ? 41.334 -5.728 58.240 1.00 62.24 ? 85 LEU D CD2 1 ATOM 4013 N N . GLN C 3 86 ? 38.777 -1.868 59.448 1.00 66.50 ? 86 GLN D N 1 ATOM 4014 C CA . GLN C 3 86 ? 37.755 -0.999 60.010 1.00 67.70 ? 86 GLN D CA 1 ATOM 4015 C C . GLN C 3 86 ? 36.620 -1.858 60.557 1.00 65.35 ? 86 GLN D C 1 ATOM 4016 O O . GLN C 3 86 ? 36.530 -3.043 60.243 1.00 63.45 ? 86 GLN D O 1 ATOM 4017 C CB . GLN C 3 86 ? 37.262 0.017 58.966 1.00 70.39 ? 86 GLN D CB 1 ATOM 4018 C CG . GLN C 3 86 ? 36.969 -0.539 57.573 1.00 72.69 ? 86 GLN D CG 1 ATOM 4019 C CD . GLN C 3 86 ? 36.891 0.550 56.507 1.00 75.10 ? 86 GLN D CD 1 ATOM 4020 O OE1 . GLN C 3 86 ? 36.323 1.620 56.742 1.00 77.23 ? 86 GLN D OE1 1 ATOM 4021 N NE2 . GLN C 3 86 ? 37.468 0.282 55.330 1.00 74.20 ? 86 GLN D NE2 1 ATOM 4022 N N . THR C 3 87 ? 35.766 -1.267 61.386 1.00 64.81 ? 87 THR D N 1 ATOM 4023 C CA . THR C 3 87 ? 34.704 -2.029 62.058 1.00 63.85 ? 87 THR D CA 1 ATOM 4024 C C . THR C 3 87 ? 33.750 -2.728 61.081 1.00 61.19 ? 87 THR D C 1 ATOM 4025 O O . THR C 3 87 ? 33.198 -3.766 61.420 1.00 60.76 ? 87 THR D O 1 ATOM 4026 C CB . THR C 3 87 ? 33.899 -1.157 63.052 1.00 64.90 ? 87 THR D CB 1 ATOM 4027 O OG1 . THR C 3 87 ? 33.411 0.013 62.384 1.00 66.18 ? 87 THR D OG1 1 ATOM 4028 C CG2 . THR C 3 87 ? 34.771 -0.743 64.238 1.00 65.30 ? 87 THR D CG2 1 ATOM 4029 N N . ASP C 3 88 ? 33.575 -2.169 59.881 1.00 60.53 ? 88 ASP D N 1 ATOM 4030 C CA . ASP C 3 88 ? 32.850 -2.841 58.777 1.00 59.47 ? 88 ASP D CA 1 ATOM 4031 C C . ASP C 3 88 ? 33.339 -4.259 58.471 1.00 56.04 ? 88 ASP D C 1 ATOM 4032 O O . ASP C 3 88 ? 32.537 -5.129 58.144 1.00 56.34 ? 88 ASP D O 1 ATOM 4033 C CB . ASP C 3 88 ? 32.946 -2.023 57.478 1.00 61.02 ? 88 ASP D CB 1 ATOM 4034 C CG . ASP C 3 88 ? 32.008 -0.820 57.453 1.00 63.51 ? 88 ASP D CG 1 ATOM 4035 O OD1 . ASP C 3 88 ? 31.320 -0.527 58.465 1.00 65.03 ? 88 ASP D OD1 1 ATOM 4036 O OD2 . ASP C 3 88 ? 31.966 -0.159 56.392 1.00 65.31 ? 88 ASP D OD2 1 ATOM 4037 N N . ASP C 3 89 ? 34.643 -4.488 58.601 1.00 52.53 ? 89 ASP D N 1 ATOM 4038 C CA . ASP C 3 89 ? 35.250 -5.783 58.277 1.00 50.06 ? 89 ASP D CA 1 ATOM 4039 C C . ASP C 3 89 ? 34.952 -6.930 59.271 1.00 47.80 ? 89 ASP D C 1 ATOM 4040 O O . ASP C 3 89 ? 35.322 -8.086 59.013 1.00 46.44 ? 89 ASP D O 1 ATOM 4041 C CB . ASP C 3 89 ? 36.764 -5.615 58.093 1.00 50.16 ? 89 ASP D CB 1 ATOM 4042 C CG . ASP C 3 89 ? 37.118 -4.578 57.020 1.00 51.08 ? 89 ASP D CG 1 ATOM 4043 O OD1 . ASP C 3 89 ? 36.423 -4.483 55.982 1.00 51.16 ? 89 ASP D OD1 1 ATOM 4044 O OD2 . ASP C 3 89 ? 38.116 -3.851 57.202 1.00 51.76 ? 89 ASP D OD2 1 ATOM 4045 N N . THR C 3 90 ? 34.292 -6.623 60.388 1.00 45.91 ? 90 THR D N 1 ATOM 4046 C CA . THR C 3 90 ? 33.817 -7.645 61.311 1.00 44.85 ? 90 THR D CA 1 ATOM 4047 C C . THR C 3 90 ? 32.845 -8.608 60.614 1.00 43.18 ? 90 THR D C 1 ATOM 4048 O O . THR C 3 90 ? 31.834 -8.185 60.064 1.00 43.34 ? 90 THR D O 1 ATOM 4049 C CB . THR C 3 90 ? 33.105 -7.018 62.531 1.00 45.13 ? 90 THR D CB 1 ATOM 4050 O OG1 . THR C 3 90 ? 34.029 -6.201 63.264 1.00 45.38 ? 90 THR D OG1 1 ATOM 4051 C CG2 . THR C 3 90 ? 32.528 -8.098 63.458 1.00 44.66 ? 90 THR D CG2 1 ATOM 4052 N N . GLY C 3 91 ? 33.168 -9.895 60.655 1.00 41.36 ? 91 GLY D N 1 ATOM 4053 C CA . GLY C 3 91 ? 32.296 -10.927 60.130 1.00 40.13 ? 91 GLY D CA 1 ATOM 4054 C C . GLY C 3 91 ? 32.949 -12.293 60.132 1.00 39.68 ? 91 GLY D C 1 ATOM 4055 O O . GLY C 3 91 ? 33.977 -12.511 60.790 1.00 40.03 ? 91 GLY D O 1 ATOM 4056 N N . THR C 3 92 ? 32.337 -13.208 59.386 1.00 38.66 ? 92 THR D N 1 ATOM 4057 C CA . THR C 3 92 ? 32.861 -14.546 59.176 1.00 37.81 ? 92 THR D CA 1 ATOM 4058 C C . THR C 3 92 ? 33.509 -14.668 57.782 1.00 37.36 ? 92 THR D C 1 ATOM 4059 O O . THR C 3 92 ? 32.959 -14.214 56.765 1.00 36.27 ? 92 THR D O 1 ATOM 4060 C CB . THR C 3 92 ? 31.746 -15.576 59.323 1.00 38.02 ? 92 THR D CB 1 ATOM 4061 O OG1 . THR C 3 92 ? 31.030 -15.315 60.537 1.00 38.69 ? 92 THR D OG1 1 ATOM 4062 C CG2 . THR C 3 92 ? 32.315 -17.007 59.328 1.00 37.96 ? 92 THR D CG2 1 ATOM 4063 N N . TYR C 3 93 ? 34.676 -15.305 57.765 1.00 37.00 ? 93 TYR D N 1 ATOM 4064 C CA . TYR C 3 93 ? 35.527 -15.415 56.589 1.00 36.38 ? 93 TYR D CA 1 ATOM 4065 C C . TYR C 3 93 ? 35.646 -16.888 56.218 1.00 36.07 ? 93 TYR D C 1 ATOM 4066 O O . TYR C 3 93 ? 35.960 -17.716 57.066 1.00 35.94 ? 93 TYR D O 1 ATOM 4067 C CB . TYR C 3 93 ? 36.899 -14.812 56.909 1.00 36.44 ? 93 TYR D CB 1 ATOM 4068 C CG . TYR C 3 93 ? 36.872 -13.305 56.936 1.00 36.28 ? 93 TYR D CG 1 ATOM 4069 C CD1 . TYR C 3 93 ? 36.298 -12.615 57.999 1.00 36.43 ? 93 TYR D CD1 1 ATOM 4070 C CD2 . TYR C 3 93 ? 37.398 -12.563 55.885 1.00 36.44 ? 93 TYR D CD2 1 ATOM 4071 C CE1 . TYR C 3 93 ? 36.255 -11.227 58.018 1.00 36.78 ? 93 TYR D CE1 1 ATOM 4072 C CE2 . TYR C 3 93 ? 37.366 -11.177 55.896 1.00 36.76 ? 93 TYR D CE2 1 ATOM 4073 C CZ . TYR C 3 93 ? 36.791 -10.512 56.962 1.00 36.80 ? 93 TYR D CZ 1 ATOM 4074 O OH . TYR C 3 93 ? 36.741 -9.140 56.960 1.00 37.18 ? 93 TYR D OH 1 ATOM 4075 N N . TYR C 3 94 ? 35.371 -17.206 54.957 1.00 36.31 ? 94 TYR D N 1 ATOM 4076 C CA . TYR C 3 94 ? 35.404 -18.586 54.455 1.00 36.66 ? 94 TYR D CA 1 ATOM 4077 C C . TYR C 3 94 ? 36.435 -18.762 53.329 1.00 36.83 ? 94 TYR D C 1 ATOM 4078 O O . TYR C 3 94 ? 36.640 -17.851 52.517 1.00 35.24 ? 94 TYR D O 1 ATOM 4079 C CB . TYR C 3 94 ? 34.040 -18.979 53.887 1.00 36.43 ? 94 TYR D CB 1 ATOM 4080 C CG . TYR C 3 94 ? 32.865 -18.867 54.827 1.00 35.97 ? 94 TYR D CG 1 ATOM 4081 C CD1 . TYR C 3 94 ? 32.459 -19.953 55.602 1.00 36.05 ? 94 TYR D CD1 1 ATOM 4082 C CD2 . TYR C 3 94 ? 32.119 -17.706 54.889 1.00 35.74 ? 94 TYR D CD2 1 ATOM 4083 C CE1 . TYR C 3 94 ? 31.357 -19.872 56.429 1.00 35.70 ? 94 TYR D CE1 1 ATOM 4084 C CE2 . TYR C 3 94 ? 31.026 -17.611 55.722 1.00 35.91 ? 94 TYR D CE2 1 ATOM 4085 C CZ . TYR C 3 94 ? 30.652 -18.699 56.485 1.00 35.70 ? 94 TYR D CZ 1 ATOM 4086 O OH . TYR C 3 94 ? 29.575 -18.589 57.308 1.00 35.96 ? 94 TYR D OH 1 ATOM 4087 N N . CYS C 3 95 ? 37.069 -19.933 53.293 1.00 38.23 ? 95 CYS D N 1 ATOM 4088 C CA . CYS C 3 95 ? 37.806 -20.382 52.113 1.00 40.34 ? 95 CYS D CA 1 ATOM 4089 C C . CYS C 3 95 ? 36.959 -21.467 51.462 1.00 39.40 ? 95 CYS D C 1 ATOM 4090 O O . CYS C 3 95 ? 36.284 -22.236 52.149 1.00 38.60 ? 95 CYS D O 1 ATOM 4091 C CB . CYS C 3 95 ? 39.254 -20.838 52.416 1.00 42.51 ? 95 CYS D CB 1 ATOM 4092 S SG . CYS C 3 95 ? 39.523 -22.270 53.506 1.00 47.03 ? 95 CYS D SG 1 ATOM 4093 N N . THR C 3 96 ? 36.956 -21.480 50.132 1.00 39.01 ? 96 THR D N 1 ATOM 4094 C CA . THR C 3 96 ? 36.132 -22.401 49.353 1.00 38.81 ? 96 THR D CA 1 ATOM 4095 C C . THR C 3 96 ? 37.003 -23.131 48.360 1.00 39.00 ? 96 THR D C 1 ATOM 4096 O O . THR C 3 96 ? 38.063 -22.635 48.004 1.00 39.99 ? 96 THR D O 1 ATOM 4097 C CB . THR C 3 96 ? 35.057 -21.655 48.543 1.00 38.26 ? 96 THR D CB 1 ATOM 4098 O OG1 . THR C 3 96 ? 35.686 -20.950 47.476 1.00 38.24 ? 96 THR D OG1 1 ATOM 4099 C CG2 . THR C 3 96 ? 34.287 -20.666 49.398 1.00 37.74 ? 96 THR D CG2 1 ATOM 4100 N N . ARG C 3 97 ? 36.567 -24.305 47.921 1.00 39.10 ? 97 ARG D N 1 ATOM 4101 C CA . ARG C 3 97 ? 37.165 -24.966 46.773 1.00 39.40 ? 97 ARG D CA 1 ATOM 4102 C C . ARG C 3 97 ? 36.260 -24.740 45.574 1.00 39.75 ? 97 ARG D C 1 ATOM 4103 O O . ARG C 3 97 ? 35.057 -25.036 45.639 1.00 39.85 ? 97 ARG D O 1 ATOM 4104 C CB . ARG C 3 97 ? 37.331 -26.457 47.021 1.00 40.24 ? 97 ARG D CB 1 ATOM 4105 C CG . ARG C 3 97 ? 38.314 -27.110 46.055 1.00 40.95 ? 97 ARG D CG 1 ATOM 4106 C CD . ARG C 3 97 ? 38.235 -28.622 46.086 1.00 41.56 ? 97 ARG D CD 1 ATOM 4107 N NE . ARG C 3 97 ? 37.185 -29.138 45.211 1.00 42.16 ? 97 ARG D NE 1 ATOM 4108 C CZ . ARG C 3 97 ? 37.080 -30.410 44.816 1.00 43.22 ? 97 ARG D CZ 1 ATOM 4109 N NH1 . ARG C 3 97 ? 37.966 -31.332 45.216 1.00 44.43 ? 97 ARG D NH1 1 ATOM 4110 N NH2 . ARG C 3 97 ? 36.085 -30.769 44.005 1.00 43.01 ? 97 ARG D NH2 1 ATOM 4111 N N . ASP C 3 98 ? 36.830 -24.227 44.483 1.00 40.44 ? 98 ASP D N 1 ATOM 4112 C CA . ASP C 3 98 ? 36.039 -23.830 43.312 1.00 41.46 ? 98 ASP D CA 1 ATOM 4113 C C . ASP C 3 98 ? 36.025 -24.916 42.261 1.00 41.80 ? 98 ASP D C 1 ATOM 4114 O O . ASP C 3 98 ? 37.003 -25.643 42.076 1.00 42.97 ? 98 ASP D O 1 ATOM 4115 C CB . ASP C 3 98 ? 36.552 -22.521 42.706 1.00 42.00 ? 98 ASP D CB 1 ATOM 4116 C CG . ASP C 3 98 ? 36.580 -21.365 43.716 1.00 42.39 ? 98 ASP D CG 1 ATOM 4117 O OD1 . ASP C 3 98 ? 35.979 -21.488 44.805 1.00 42.61 ? 98 ASP D OD1 1 ATOM 4118 O OD2 . ASP C 3 98 ? 37.214 -20.329 43.417 1.00 43.16 ? 98 ASP D OD2 1 ATOM 4119 N N . GLU C 3 99 ? 34.895 -25.007 41.578 1.00 42.01 ? 99 GLU D N 1 ATOM 4120 C CA . GLU C 3 99 ? 34.661 -25.980 40.531 1.00 43.27 ? 99 GLU D CA 1 ATOM 4121 C C . GLU C 3 99 ? 34.525 -25.184 39.212 1.00 43.57 ? 99 GLU D C 1 ATOM 4122 O O . GLU C 3 99 ? 34.064 -24.040 39.225 1.00 42.61 ? 99 GLU D O 1 ATOM 4123 C CB . GLU C 3 99 ? 33.402 -26.777 40.893 1.00 44.06 ? 99 GLU D CB 1 ATOM 4124 C CG . GLU C 3 99 ? 33.293 -28.179 40.304 1.00 46.31 ? 99 GLU D CG 1 ATOM 4125 C CD . GLU C 3 99 ? 34.331 -29.162 40.857 1.00 47.61 ? 99 GLU D CD 1 ATOM 4126 O OE1 . GLU C 3 99 ? 34.480 -29.274 42.103 1.00 47.32 ? 99 GLU D OE1 1 ATOM 4127 O OE2 . GLU C 3 99 ? 34.995 -29.830 40.028 1.00 48.44 ? 99 GLU D OE2 1 ATOM 4128 N N . ARG C 3 100 ? 34.946 -25.778 38.091 1.00 45.01 ? 100 ARG D N 1 ATOM 4129 C CA . ARG C 3 100 ? 35.061 -25.063 36.799 1.00 45.14 ? 100 ARG D CA 1 ATOM 4130 C C . ARG C 3 100 ? 34.434 -25.810 35.621 1.00 43.91 ? 100 ARG D C 1 ATOM 4131 O O . ARG C 3 100 ? 34.572 -27.022 35.519 1.00 44.23 ? 100 ARG D O 1 ATOM 4132 C CB . ARG C 3 100 ? 36.540 -24.738 36.491 1.00 46.80 ? 100 ARG D CB 1 ATOM 4133 C CG . ARG C 3 100 ? 37.461 -25.947 36.301 1.00 49.55 ? 100 ARG D CG 1 ATOM 4134 C CD . ARG C 3 100 ? 37.717 -26.306 34.829 1.00 52.04 ? 100 ARG D CD 1 ATOM 4135 N NE . ARG C 3 100 ? 38.840 -25.558 34.242 1.00 53.48 ? 100 ARG D NE 1 ATOM 4136 C CZ . ARG C 3 100 ? 39.093 -25.424 32.932 1.00 55.21 ? 100 ARG D CZ 1 ATOM 4137 N NH1 . ARG C 3 100 ? 38.309 -25.981 31.995 1.00 56.15 ? 100 ARG D NH1 1 ATOM 4138 N NH2 . ARG C 3 100 ? 40.150 -24.709 32.549 1.00 55.32 ? 100 ARG D NH2 1 ATOM 4139 N N . ILE C 3 101 ? 33.742 -25.075 34.747 1.00 42.85 ? 101 ILE D N 1 ATOM 4140 C CA . ILE C 3 101 ? 33.354 -25.555 33.395 1.00 42.86 ? 101 ILE D CA 1 ATOM 4141 C C . ILE C 3 101 ? 33.859 -24.530 32.370 1.00 42.02 ? 101 ILE D C 1 ATOM 4142 O O . ILE C 3 101 ? 33.417 -23.381 32.374 1.00 41.76 ? 101 ILE D O 1 ATOM 4143 C CB . ILE C 3 101 ? 31.816 -25.825 33.238 1.00 43.20 ? 101 ILE D CB 1 ATOM 4144 C CG1 . ILE C 3 101 ? 31.497 -26.483 31.881 1.00 43.79 ? 101 ILE D CG1 1 ATOM 4145 C CG2 . ILE C 3 101 ? 30.953 -24.568 33.413 1.00 42.50 ? 101 ILE D CG2 1 ATOM 4146 C CD1 . ILE C 3 101 ? 31.754 -27.970 31.848 1.00 44.46 ? 101 ILE D CD1 1 ATOM 4147 N N . ARG C 3 102 ? 34.788 -24.956 31.508 1.00 41.68 ? 102 ARG D N 1 ATOM 4148 C CA . ARG C 3 102 ? 35.485 -24.072 30.564 1.00 40.88 ? 102 ARG D CA 1 ATOM 4149 C C . ARG C 3 102 ? 36.106 -22.892 31.336 1.00 39.42 ? 102 ARG D C 1 ATOM 4150 O O . ARG C 3 102 ? 36.943 -23.144 32.198 1.00 39.38 ? 102 ARG D O 1 ATOM 4151 C CB . ARG C 3 102 ? 34.566 -23.649 29.401 1.00 41.81 ? 102 ARG D CB 1 ATOM 4152 C CG . ARG C 3 102 ? 33.868 -24.774 28.633 1.00 42.77 ? 102 ARG D CG 1 ATOM 4153 C CD . ARG C 3 102 ? 34.795 -25.913 28.245 1.00 43.84 ? 102 ARG D CD 1 ATOM 4154 N NE . ARG C 3 102 ? 34.110 -26.954 27.474 1.00 45.15 ? 102 ARG D NE 1 ATOM 4155 C CZ . ARG C 3 102 ? 33.849 -26.906 26.164 1.00 46.56 ? 102 ARG D CZ 1 ATOM 4156 N NH1 . ARG C 3 102 ? 34.204 -25.852 25.428 1.00 47.14 ? 102 ARG D NH1 1 ATOM 4157 N NH2 . ARG C 3 102 ? 33.220 -27.922 25.572 1.00 47.29 ? 102 ARG D NH2 1 ATOM 4158 N N . ALA C 3 103 ? 35.712 -21.636 31.072 1.00 38.35 ? 103 ALA D N 1 ATOM 4159 C CA . ALA C 3 103 ? 36.232 -20.474 31.837 1.00 36.99 ? 103 ALA D CA 1 ATOM 4160 C C . ALA C 3 103 ? 35.337 -19.998 32.988 1.00 36.03 ? 103 ALA D C 1 ATOM 4161 O O . ALA C 3 103 ? 35.691 -19.031 33.665 1.00 36.47 ? 103 ALA D O 1 ATOM 4162 C CB . ALA C 3 103 ? 36.537 -19.307 30.909 1.00 36.61 ? 103 ALA D CB 1 ATOM 4163 N N . ILE C 3 104 ? 34.224 -20.688 33.234 1.00 35.48 ? 104 ILE D N 1 ATOM 4164 C CA . ILE C 3 104 ? 33.260 -20.320 34.277 1.00 34.95 ? 104 ILE D CA 1 ATOM 4165 C C . ILE C 3 104 ? 33.597 -21.073 35.564 1.00 34.11 ? 104 ILE D C 1 ATOM 4166 O O . ILE C 3 104 ? 33.856 -22.267 35.525 1.00 34.40 ? 104 ILE D O 1 ATOM 4167 C CB . ILE C 3 104 ? 31.813 -20.712 33.871 1.00 35.53 ? 104 ILE D CB 1 ATOM 4168 C CG1 . ILE C 3 104 ? 31.445 -20.171 32.478 1.00 36.11 ? 104 ILE D CG1 1 ATOM 4169 C CG2 . ILE C 3 104 ? 30.801 -20.248 34.920 1.00 35.11 ? 104 ILE D CG2 1 ATOM 4170 C CD1 . ILE C 3 104 ? 31.422 -18.662 32.381 1.00 36.22 ? 104 ILE D CD1 1 ATOM 4171 N N . ASN C 3 105 ? 33.569 -20.385 36.698 1.00 33.09 ? 105 ASN D N 1 ATOM 4172 C CA . ASN C 3 105 ? 33.790 -21.025 38.002 1.00 32.65 ? 105 ASN D CA 1 ATOM 4173 C C . ASN C 3 105 ? 32.625 -20.784 38.961 1.00 31.91 ? 105 ASN D C 1 ATOM 4174 O O . ASN C 3 105 ? 31.909 -19.769 38.860 1.00 31.30 ? 105 ASN D O 1 ATOM 4175 C CB . ASN C 3 105 ? 35.078 -20.517 38.654 1.00 32.64 ? 105 ASN D CB 1 ATOM 4176 C CG . ASN C 3 105 ? 36.252 -20.521 37.697 1.00 33.15 ? 105 ASN D CG 1 ATOM 4177 O OD1 . ASN C 3 105 ? 36.287 -19.716 36.774 1.00 33.60 ? 105 ASN D OD1 1 ATOM 4178 N ND2 . ASN C 3 105 ? 37.224 -21.414 37.919 1.00 33.22 ? 105 ASN D ND2 1 ATOM 4179 N N . TRP C 3 106 ? 32.448 -21.729 39.886 1.00 31.28 ? 106 TRP D N 1 ATOM 4180 C CA . TRP C 3 106 ? 31.514 -21.574 40.998 1.00 30.91 ? 106 TRP D CA 1 ATOM 4181 C C . TRP C 3 106 ? 32.084 -22.158 42.288 1.00 30.74 ? 106 TRP D C 1 ATOM 4182 O O . TRP C 3 106 ? 33.057 -22.915 42.264 1.00 30.70 ? 106 TRP D O 1 ATOM 4183 C CB . TRP C 3 106 ? 30.138 -22.188 40.652 1.00 31.05 ? 106 TRP D CB 1 ATOM 4184 C CG . TRP C 3 106 ? 30.093 -23.698 40.550 1.00 31.22 ? 106 TRP D CG 1 ATOM 4185 C CD1 . TRP C 3 106 ? 29.708 -24.571 41.520 1.00 31.11 ? 106 TRP D CD1 1 ATOM 4186 C CD2 . TRP C 3 106 ? 30.430 -24.492 39.410 1.00 31.56 ? 106 TRP D CD2 1 ATOM 4187 N NE1 . TRP C 3 106 ? 29.787 -25.857 41.064 1.00 31.66 ? 106 TRP D NE1 1 ATOM 4188 C CE2 . TRP C 3 106 ? 30.220 -25.839 39.764 1.00 32.08 ? 106 TRP D CE2 1 ATOM 4189 C CE3 . TRP C 3 106 ? 30.892 -24.197 38.128 1.00 31.64 ? 106 TRP D CE3 1 ATOM 4190 C CZ2 . TRP C 3 106 ? 30.466 -26.897 38.876 1.00 32.62 ? 106 TRP D CZ2 1 ATOM 4191 C CZ3 . TRP C 3 106 ? 31.125 -25.241 37.253 1.00 32.40 ? 106 TRP D CZ3 1 ATOM 4192 C CH2 . TRP C 3 106 ? 30.916 -26.579 37.635 1.00 32.69 ? 106 TRP D CH2 1 ATOM 4193 N N . PHE C 3 107 ? 31.466 -21.788 43.410 1.00 30.79 ? 107 PHE D N 1 ATOM 4194 C CA . PHE C 3 107 ? 31.889 -22.245 44.739 1.00 31.12 ? 107 PHE D CA 1 ATOM 4195 C C . PHE C 3 107 ? 31.237 -23.598 45.081 1.00 32.07 ? 107 PHE D C 1 ATOM 4196 O O . PHE C 3 107 ? 30.019 -23.700 45.144 1.00 31.45 ? 107 PHE D O 1 ATOM 4197 C CB . PHE C 3 107 ? 31.555 -21.181 45.790 1.00 30.69 ? 107 PHE D CB 1 ATOM 4198 C CG . PHE C 3 107 ? 31.966 -19.794 45.385 1.00 30.47 ? 107 PHE D CG 1 ATOM 4199 C CD1 . PHE C 3 107 ? 33.309 -19.498 45.148 1.00 30.26 ? 107 PHE D CD1 1 ATOM 4200 C CD2 . PHE C 3 107 ? 31.018 -18.791 45.204 1.00 30.28 ? 107 PHE D CD2 1 ATOM 4201 C CE1 . PHE C 3 107 ? 33.697 -18.227 44.750 1.00 30.26 ? 107 PHE D CE1 1 ATOM 4202 C CE2 . PHE C 3 107 ? 31.404 -17.517 44.808 1.00 30.11 ? 107 PHE D CE2 1 ATOM 4203 C CZ . PHE C 3 107 ? 32.742 -17.232 44.585 1.00 30.14 ? 107 PHE D CZ 1 ATOM 4204 N N . ALA C 3 108 ? 32.061 -24.633 45.284 1.00 33.56 ? 108 ALA D N 1 ATOM 4205 C CA . ALA C 3 108 ? 31.575 -26.013 45.491 1.00 34.40 ? 108 ALA D CA 1 ATOM 4206 C C . ALA C 3 108 ? 31.671 -26.526 46.947 1.00 34.85 ? 108 ALA D C 1 ATOM 4207 O O . ALA C 3 108 ? 30.738 -27.160 47.426 1.00 35.47 ? 108 ALA D O 1 ATOM 4208 C CB . ALA C 3 108 ? 32.300 -26.957 44.550 1.00 34.80 ? 108 ALA D CB 1 ATOM 4209 N N . TYR C 3 109 ? 32.784 -26.279 47.633 1.00 35.16 ? 109 TYR D N 1 ATOM 4210 C CA . TYR C 3 109 ? 32.958 -26.735 49.024 1.00 36.11 ? 109 TYR D CA 1 ATOM 4211 C C . TYR C 3 109 ? 33.467 -25.607 49.902 1.00 36.05 ? 109 TYR D C 1 ATOM 4212 O O . TYR C 3 109 ? 34.363 -24.880 49.495 1.00 36.40 ? 109 TYR D O 1 ATOM 4213 C CB . TYR C 3 109 ? 33.942 -27.891 49.106 1.00 36.94 ? 109 TYR D CB 1 ATOM 4214 C CG . TYR C 3 109 ? 33.500 -29.156 48.420 1.00 37.98 ? 109 TYR D CG 1 ATOM 4215 C CD1 . TYR C 3 109 ? 32.527 -29.973 48.984 1.00 38.65 ? 109 TYR D CD1 1 ATOM 4216 C CD2 . TYR C 3 109 ? 34.071 -29.554 47.208 1.00 38.73 ? 109 TYR D CD2 1 ATOM 4217 C CE1 . TYR C 3 109 ? 32.116 -31.153 48.354 1.00 39.85 ? 109 TYR D CE1 1 ATOM 4218 C CE2 . TYR C 3 109 ? 33.670 -30.726 46.574 1.00 39.88 ? 109 TYR D CE2 1 ATOM 4219 C CZ . TYR C 3 109 ? 32.693 -31.526 47.150 1.00 40.30 ? 109 TYR D CZ 1 ATOM 4220 O OH . TYR C 3 109 ? 32.301 -32.686 46.522 1.00 41.17 ? 109 TYR D OH 1 ATOM 4221 N N . TRP C 3 110 ? 32.906 -25.482 51.106 1.00 36.37 ? 110 TRP D N 1 ATOM 4222 C CA . TRP C 3 110 ? 33.316 -24.456 52.086 1.00 36.09 ? 110 TRP D CA 1 ATOM 4223 C C . TRP C 3 110 ? 34.045 -25.069 53.270 1.00 36.77 ? 110 TRP D C 1 ATOM 4224 O O . TRP C 3 110 ? 33.902 -26.252 53.564 1.00 36.54 ? 110 TRP D O 1 ATOM 4225 C CB . TRP C 3 110 ? 32.099 -23.736 52.664 1.00 35.53 ? 110 TRP D CB 1 ATOM 4226 C CG . TRP C 3 110 ? 31.466 -22.688 51.810 1.00 34.90 ? 110 TRP D CG 1 ATOM 4227 C CD1 . TRP C 3 110 ? 31.517 -21.338 52.008 1.00 34.37 ? 110 TRP D CD1 1 ATOM 4228 C CD2 . TRP C 3 110 ? 30.630 -22.897 50.673 1.00 34.43 ? 110 TRP D CD2 1 ATOM 4229 N NE1 . TRP C 3 110 ? 30.784 -20.690 51.046 1.00 34.16 ? 110 TRP D NE1 1 ATOM 4230 C CE2 . TRP C 3 110 ? 30.219 -21.622 50.218 1.00 34.24 ? 110 TRP D CE2 1 ATOM 4231 C CE3 . TRP C 3 110 ? 30.190 -24.037 49.989 1.00 34.52 ? 110 TRP D CE3 1 ATOM 4232 C CZ2 . TRP C 3 110 ? 29.395 -21.451 49.099 1.00 34.07 ? 110 TRP D CZ2 1 ATOM 4233 C CZ3 . TRP C 3 110 ? 29.370 -23.870 48.878 1.00 34.76 ? 110 TRP D CZ3 1 ATOM 4234 C CH2 . TRP C 3 110 ? 28.985 -22.581 48.440 1.00 34.41 ? 110 TRP D CH2 1 ATOM 4235 N N . GLY C 3 111 ? 34.813 -24.228 53.954 1.00 38.15 ? 111 GLY D N 1 ATOM 4236 C CA . GLY C 3 111 ? 35.249 -24.491 55.309 1.00 39.15 ? 111 GLY D CA 1 ATOM 4237 C C . GLY C 3 111 ? 34.173 -23.995 56.254 1.00 40.82 ? 111 GLY D C 1 ATOM 4238 O O . GLY C 3 111 ? 33.235 -23.317 55.846 1.00 39.73 ? 111 GLY D O 1 ATOM 4239 N N . GLN C 3 112 ? 34.332 -24.343 57.526 1.00 44.40 ? 112 GLN D N 1 ATOM 4240 C CA . GLN C 3 112 ? 33.378 -24.030 58.599 1.00 46.29 ? 112 GLN D CA 1 ATOM 4241 C C . GLN C 3 112 ? 33.225 -22.516 58.834 1.00 46.37 ? 112 GLN D C 1 ATOM 4242 O O . GLN C 3 112 ? 32.139 -22.036 59.141 1.00 46.48 ? 112 GLN D O 1 ATOM 4243 C CB . GLN C 3 112 ? 33.847 -24.733 59.881 1.00 48.93 ? 112 GLN D CB 1 ATOM 4244 C CG . GLN C 3 112 ? 32.800 -24.902 60.973 1.00 51.48 ? 112 GLN D CG 1 ATOM 4245 C CD . GLN C 3 112 ? 33.081 -26.101 61.883 1.00 53.59 ? 112 GLN D CD 1 ATOM 4246 O OE1 . GLN C 3 112 ? 34.234 -26.392 62.221 1.00 54.38 ? 112 GLN D OE1 1 ATOM 4247 N NE2 . GLN C 3 112 ? 32.018 -26.801 62.283 1.00 55.07 ? 112 GLN D NE2 1 ATOM 4248 N N . GLY C 3 113 ? 34.320 -21.781 58.670 1.00 47.07 ? 113 GLY D N 1 ATOM 4249 C CA . GLY C 3 113 ? 34.357 -20.325 58.827 1.00 47.84 ? 113 GLY D CA 1 ATOM 4250 C C . GLY C 3 113 ? 35.208 -19.958 60.033 1.00 49.00 ? 113 GLY D C 1 ATOM 4251 O O . GLY C 3 113 ? 35.395 -20.787 60.926 1.00 50.01 ? 113 GLY D O 1 ATOM 4252 N N . THR C 3 114 ? 35.760 -18.743 60.041 1.00 49.21 ? 114 THR D N 1 ATOM 4253 C CA . THR C 3 114 ? 36.365 -18.170 61.251 1.00 50.48 ? 114 THR D CA 1 ATOM 4254 C C . THR C 3 114 ? 35.751 -16.806 61.510 1.00 50.38 ? 114 THR D C 1 ATOM 4255 O O . THR C 3 114 ? 35.633 -15.992 60.582 1.00 48.60 ? 114 THR D O 1 ATOM 4256 C CB . THR C 3 114 ? 37.900 -17.971 61.172 1.00 51.45 ? 114 THR D CB 1 ATOM 4257 O OG1 . THR C 3 114 ? 38.513 -19.044 60.462 1.00 52.35 ? 114 THR D OG1 1 ATOM 4258 C CG2 . THR C 3 114 ? 38.494 -17.924 62.583 1.00 52.12 ? 114 THR D CG2 1 ATOM 4259 N N . LEU C 3 115 ? 35.390 -16.557 62.773 1.00 50.14 ? 115 LEU D N 1 ATOM 4260 C CA . LEU C 3 115 ? 34.849 -15.271 63.172 1.00 50.52 ? 115 LEU D CA 1 ATOM 4261 C C . LEU C 3 115 ? 35.997 -14.287 63.398 1.00 50.47 ? 115 LEU D C 1 ATOM 4262 O O . LEU C 3 115 ? 36.935 -14.566 64.143 1.00 51.20 ? 115 LEU D O 1 ATOM 4263 C CB . LEU C 3 115 ? 33.995 -15.399 64.432 1.00 51.86 ? 115 LEU D CB 1 ATOM 4264 C CG . LEU C 3 115 ? 33.163 -14.158 64.786 1.00 52.96 ? 115 LEU D CG 1 ATOM 4265 C CD1 . LEU C 3 115 ? 32.163 -13.817 63.686 1.00 52.53 ? 115 LEU D CD1 1 ATOM 4266 C CD2 . LEU C 3 115 ? 32.458 -14.372 66.114 1.00 53.63 ? 115 LEU D CD2 1 ATOM 4267 N N . VAL C 3 116 ? 35.916 -13.149 62.720 1.00 49.46 ? 116 VAL D N 1 ATOM 4268 C CA . VAL C 3 116 ? 36.881 -12.083 62.854 1.00 49.19 ? 116 VAL D CA 1 ATOM 4269 C C . VAL C 3 116 ? 36.107 -10.863 63.315 1.00 49.07 ? 116 VAL D C 1 ATOM 4270 O O . VAL C 3 116 ? 35.088 -10.502 62.725 1.00 48.00 ? 116 VAL D O 1 ATOM 4271 C CB . VAL C 3 116 ? 37.573 -11.788 61.513 1.00 49.23 ? 116 VAL D CB 1 ATOM 4272 C CG1 . VAL C 3 116 ? 38.467 -10.558 61.618 1.00 50.24 ? 116 VAL D CG1 1 ATOM 4273 C CG2 . VAL C 3 116 ? 38.382 -12.993 61.050 1.00 48.94 ? 116 VAL D CG2 1 ATOM 4274 N N . THR C 3 117 ? 36.603 -10.226 64.367 1.00 49.72 ? 117 THR D N 1 ATOM 4275 C CA . THR C 3 117 ? 35.958 -9.053 64.945 1.00 50.07 ? 117 THR D CA 1 ATOM 4276 C C . THR C 3 117 ? 37.016 -7.943 65.087 1.00 51.12 ? 117 THR D C 1 ATOM 4277 O O . THR C 3 117 ? 38.102 -8.172 65.618 1.00 50.74 ? 117 THR D O 1 ATOM 4278 C CB . THR C 3 117 ? 35.160 -9.404 66.243 1.00 49.71 ? 117 THR D CB 1 ATOM 4279 O OG1 . THR C 3 117 ? 35.295 -8.375 67.235 1.00 50.27 ? 117 THR D OG1 1 ATOM 4280 C CG2 . THR C 3 117 ? 35.588 -10.751 66.831 1.00 49.48 ? 117 THR D CG2 1 ATOM 4281 N N . VAL C 3 118 ? 36.692 -6.771 64.536 1.00 52.70 ? 118 VAL D N 1 ATOM 4282 C CA . VAL C 3 118 ? 37.572 -5.604 64.506 1.00 54.55 ? 118 VAL D CA 1 ATOM 4283 C C . VAL C 3 118 ? 37.084 -4.606 65.560 1.00 56.25 ? 118 VAL D C 1 ATOM 4284 O O . VAL C 3 118 ? 35.979 -4.063 65.442 1.00 55.07 ? 118 VAL D O 1 ATOM 4285 C CB . VAL C 3 118 ? 37.594 -4.933 63.106 1.00 54.13 ? 118 VAL D CB 1 ATOM 4286 C CG1 . VAL C 3 118 ? 38.654 -3.831 63.043 1.00 54.70 ? 118 VAL D CG1 1 ATOM 4287 C CG2 . VAL C 3 118 ? 37.835 -5.977 62.023 1.00 53.10 ? 118 VAL D CG2 1 ATOM 4288 N N . SER C 3 119 ? 37.912 -4.379 66.582 1.00 58.67 ? 119 SER D N 1 ATOM 4289 C CA . SER C 3 119 ? 37.541 -3.548 67.726 1.00 60.45 ? 119 SER D CA 1 ATOM 4290 C C . SER C 3 119 ? 38.747 -3.071 68.532 1.00 62.88 ? 119 SER D C 1 ATOM 4291 O O . SER C 3 119 ? 39.739 -3.789 68.683 1.00 63.54 ? 119 SER D O 1 ATOM 4292 C CB . SER C 3 119 ? 36.614 -4.325 68.649 1.00 60.04 ? 119 SER D CB 1 ATOM 4293 O OG . SER C 3 119 ? 36.209 -3.520 69.733 1.00 61.12 ? 119 SER D OG 1 ATOM 4294 N N . SER C 3 120 ? 38.636 -1.858 69.065 1.00 65.53 ? 120 SER D N 1 ATOM 4295 C CA . SER C 3 120 ? 39.679 -1.273 69.912 1.00 67.38 ? 120 SER D CA 1 ATOM 4296 C C . SER C 3 120 ? 39.783 -1.963 71.276 1.00 67.68 ? 120 SER D C 1 ATOM 4297 O O . SER C 3 120 ? 40.855 -1.973 71.875 1.00 69.74 ? 120 SER D O 1 ATOM 4298 C CB . SER C 3 120 ? 39.429 0.225 70.096 1.00 68.47 ? 120 SER D CB 1 ATOM 4299 O OG . SER C 3 120 ? 39.378 0.871 68.835 1.00 68.98 ? 120 SER D OG 1 ATOM 4300 N N . ALA C 3 121 ? 38.679 -2.541 71.750 1.00 67.05 ? 121 ALA D N 1 ATOM 4301 C CA . ALA C 3 121 ? 38.646 -3.267 73.025 1.00 68.38 ? 121 ALA D CA 1 ATOM 4302 C C . ALA C 3 121 ? 39.664 -4.399 73.064 1.00 68.40 ? 121 ALA D C 1 ATOM 4303 O O . ALA C 3 121 ? 39.960 -5.000 72.034 1.00 66.82 ? 121 ALA D O 1 ATOM 4304 C CB . ALA C 3 121 ? 37.253 -3.824 73.283 1.00 68.04 ? 121 ALA D CB 1 ATOM 4305 N N . GLU C 3 122 ? 40.192 -4.670 74.256 1.00 69.64 ? 122 GLU D N 1 ATOM 4306 C CA . GLU C 3 122 ? 41.207 -5.705 74.451 1.00 70.23 ? 122 GLU D CA 1 ATOM 4307 C C . GLU C 3 122 ? 40.504 -7.022 74.794 1.00 68.16 ? 122 GLU D C 1 ATOM 4308 O O . GLU C 3 122 ? 39.365 -7.018 75.270 1.00 67.67 ? 122 GLU D O 1 ATOM 4309 C CB . GLU C 3 122 ? 42.204 -5.274 75.547 1.00 73.30 ? 122 GLU D CB 1 ATOM 4310 C CG . GLU C 3 122 ? 43.635 -5.814 75.393 1.00 75.15 ? 122 GLU D CG 1 ATOM 4311 C CD . GLU C 3 122 ? 44.496 -5.067 74.363 1.00 76.47 ? 122 GLU D CD 1 ATOM 4312 O OE1 . GLU C 3 122 ? 43.959 -4.539 73.364 1.00 76.55 ? 122 GLU D OE1 1 ATOM 4313 O OE2 . GLU C 3 122 ? 45.736 -5.017 74.542 1.00 78.15 ? 122 GLU D OE2 1 ATOM 4314 N N . THR C 3 123 ? 41.172 -8.142 74.513 1.00 66.68 ? 123 THR D N 1 ATOM 4315 C CA . THR C 3 123 ? 40.625 -9.473 74.790 1.00 65.69 ? 123 THR D CA 1 ATOM 4316 C C . THR C 3 123 ? 40.470 -9.667 76.292 1.00 65.60 ? 123 THR D C 1 ATOM 4317 O O . THR C 3 123 ? 41.353 -9.278 77.054 1.00 67.11 ? 123 THR D O 1 ATOM 4318 C CB . THR C 3 123 ? 41.538 -10.600 74.250 1.00 66.02 ? 123 THR D CB 1 ATOM 4319 O OG1 . THR C 3 123 ? 42.880 -10.378 74.687 1.00 69.12 ? 123 THR D OG1 1 ATOM 4320 C CG2 . THR C 3 123 ? 41.539 -10.656 72.730 1.00 65.23 ? 123 THR D CG2 1 ATOM 4321 N N . THR C 3 124 ? 39.353 -10.263 76.708 1.00 64.21 ? 124 THR D N 1 ATOM 4322 C CA . THR C 3 124 ? 39.050 -10.473 78.125 1.00 64.27 ? 124 THR D CA 1 ATOM 4323 C C . THR C 3 124 ? 38.591 -11.914 78.402 1.00 63.60 ? 124 THR D C 1 ATOM 4324 O O . THR C 3 124 ? 37.758 -12.467 77.680 1.00 61.23 ? 124 THR D O 1 ATOM 4325 C CB . THR C 3 124 ? 37.978 -9.476 78.603 1.00 64.55 ? 124 THR D CB 1 ATOM 4326 O OG1 . THR C 3 124 ? 38.372 -8.149 78.239 1.00 65.31 ? 124 THR D OG1 1 ATOM 4327 C CG2 . THR C 3 124 ? 37.796 -9.537 80.112 1.00 65.10 ? 124 THR D CG2 1 ATOM 4328 N N . ALA C 3 125 ? 39.146 -12.504 79.461 1.00 64.45 ? 125 ALA D N 1 ATOM 4329 C CA . ALA C 3 125 ? 38.870 -13.893 79.829 1.00 63.96 ? 125 ALA D CA 1 ATOM 4330 C C . ALA C 3 125 ? 37.495 -14.056 80.471 1.00 63.54 ? 125 ALA D C 1 ATOM 4331 O O . ALA C 3 125 ? 37.082 -13.201 81.250 1.00 63.71 ? 125 ALA D O 1 ATOM 4332 C CB . ALA C 3 125 ? 39.953 -14.416 80.762 1.00 64.81 ? 125 ALA D CB 1 ATOM 4333 N N . PRO C 3 126 ? 36.781 -15.157 80.147 1.00 63.32 ? 126 PRO D N 1 ATOM 4334 C CA . PRO C 3 126 ? 35.503 -15.439 80.823 1.00 63.58 ? 126 PRO D CA 1 ATOM 4335 C C . PRO C 3 126 ? 35.685 -16.011 82.228 1.00 64.23 ? 126 PRO D C 1 ATOM 4336 O O . PRO C 3 126 ? 36.692 -16.656 82.512 1.00 64.39 ? 126 PRO D O 1 ATOM 4337 C CB . PRO C 3 126 ? 34.841 -16.492 79.922 1.00 62.73 ? 126 PRO D CB 1 ATOM 4338 C CG . PRO C 3 126 ? 35.957 -17.129 79.161 1.00 62.19 ? 126 PRO D CG 1 ATOM 4339 C CD . PRO C 3 126 ? 37.093 -16.151 79.100 1.00 62.27 ? 126 PRO D CD 1 ATOM 4340 N N . SER C 3 127 ? 34.706 -15.769 83.090 1.00 65.24 ? 127 SER D N 1 ATOM 4341 C CA . SER C 3 127 ? 34.616 -16.445 84.376 1.00 66.97 ? 127 SER D CA 1 ATOM 4342 C C . SER C 3 127 ? 33.562 -17.538 84.227 1.00 67.55 ? 127 SER D C 1 ATOM 4343 O O . SER C 3 127 ? 32.434 -17.250 83.805 1.00 69.25 ? 127 SER D O 1 ATOM 4344 C CB . SER C 3 127 ? 34.227 -15.451 85.463 1.00 67.98 ? 127 SER D CB 1 ATOM 4345 O OG . SER C 3 127 ? 35.157 -14.380 85.514 1.00 68.80 ? 127 SER D OG 1 ATOM 4346 N N . VAL C 3 128 ? 33.933 -18.783 84.538 1.00 67.29 ? 128 VAL D N 1 ATOM 4347 C CA . VAL C 3 128 ? 33.052 -19.946 84.345 1.00 66.85 ? 128 VAL D CA 1 ATOM 4348 C C . VAL C 3 128 ? 32.482 -20.418 85.686 1.00 68.00 ? 128 VAL D C 1 ATOM 4349 O O . VAL C 3 128 ? 33.083 -21.230 86.389 1.00 68.63 ? 128 VAL D O 1 ATOM 4350 C CB . VAL C 3 128 ? 33.780 -21.092 83.613 1.00 66.20 ? 128 VAL D CB 1 ATOM 4351 C CG1 . VAL C 3 128 ? 32.843 -22.271 83.364 1.00 65.80 ? 128 VAL D CG1 1 ATOM 4352 C CG2 . VAL C 3 128 ? 34.345 -20.586 82.292 1.00 65.87 ? 128 VAL D CG2 1 ATOM 4353 N N . TYR C 3 129 ? 31.306 -19.901 86.022 1.00 68.52 ? 129 TYR D N 1 ATOM 4354 C CA . TYR C 3 129 ? 30.665 -20.195 87.295 1.00 69.23 ? 129 TYR D CA 1 ATOM 4355 C C . TYR C 3 129 ? 29.770 -21.422 87.171 1.00 70.02 ? 129 TYR D C 1 ATOM 4356 O O . TYR C 3 129 ? 29.174 -21.645 86.120 1.00 69.12 ? 129 TYR D O 1 ATOM 4357 C CB . TYR C 3 129 ? 29.856 -18.986 87.755 1.00 68.97 ? 129 TYR D CB 1 ATOM 4358 C CG . TYR C 3 129 ? 30.699 -17.736 87.923 1.00 69.34 ? 129 TYR D CG 1 ATOM 4359 C CD1 . TYR C 3 129 ? 31.815 -17.730 88.765 1.00 69.28 ? 129 TYR D CD1 1 ATOM 4360 C CD2 . TYR C 3 129 ? 30.384 -16.556 87.245 1.00 69.06 ? 129 TYR D CD2 1 ATOM 4361 C CE1 . TYR C 3 129 ? 32.590 -16.592 88.922 1.00 69.67 ? 129 TYR D CE1 1 ATOM 4362 C CE2 . TYR C 3 129 ? 31.152 -15.408 87.405 1.00 69.32 ? 129 TYR D CE2 1 ATOM 4363 C CZ . TYR C 3 129 ? 32.250 -15.433 88.247 1.00 69.58 ? 129 TYR D CZ 1 ATOM 4364 O OH . TYR C 3 129 ? 33.021 -14.304 88.400 1.00 70.64 ? 129 TYR D OH 1 ATOM 4365 N N . PRO C 3 130 ? 29.676 -22.231 88.244 1.00 73.41 ? 130 PRO D N 1 ATOM 4366 C CA . PRO C 3 130 ? 28.812 -23.407 88.189 1.00 74.22 ? 130 PRO D CA 1 ATOM 4367 C C . PRO C 3 130 ? 27.335 -23.062 88.353 1.00 74.25 ? 130 PRO D C 1 ATOM 4368 O O . PRO C 3 130 ? 27.014 -22.075 89.017 1.00 73.82 ? 130 PRO D O 1 ATOM 4369 C CB . PRO C 3 130 ? 29.292 -24.234 89.386 1.00 74.88 ? 130 PRO D CB 1 ATOM 4370 C CG . PRO C 3 130 ? 29.702 -23.206 90.375 1.00 74.98 ? 130 PRO D CG 1 ATOM 4371 C CD . PRO C 3 130 ? 30.351 -22.125 89.554 1.00 74.58 ? 130 PRO D CD 1 ATOM 4372 N N . LEU C 3 131 ? 26.463 -23.864 87.738 1.00 74.85 ? 131 LEU D N 1 ATOM 4373 C CA . LEU C 3 131 ? 25.019 -23.823 88.012 1.00 75.80 ? 131 LEU D CA 1 ATOM 4374 C C . LEU C 3 131 ? 24.547 -25.203 88.468 1.00 77.79 ? 131 LEU D C 1 ATOM 4375 O O . LEU C 3 131 ? 24.551 -26.159 87.681 1.00 78.71 ? 131 LEU D O 1 ATOM 4376 C CB . LEU C 3 131 ? 24.221 -23.376 86.788 1.00 73.70 ? 131 LEU D CB 1 ATOM 4377 C CG . LEU C 3 131 ? 24.641 -22.050 86.163 1.00 73.35 ? 131 LEU D CG 1 ATOM 4378 C CD1 . LEU C 3 131 ? 23.945 -21.861 84.820 1.00 72.43 ? 131 LEU D CD1 1 ATOM 4379 C CD2 . LEU C 3 131 ? 24.349 -20.894 87.111 1.00 73.81 ? 131 LEU D CD2 1 ATOM 4380 N N . ALA C 3 132 ? 24.153 -25.291 89.742 1.00 79.75 ? 132 ALA D N 1 ATOM 4381 C CA . ALA C 3 132 ? 23.694 -26.532 90.364 1.00 82.20 ? 132 ALA D CA 1 ATOM 4382 C C . ALA C 3 132 ? 22.354 -26.305 91.057 1.00 84.31 ? 132 ALA D C 1 ATOM 4383 O O . ALA C 3 132 ? 22.114 -25.217 91.591 1.00 82.83 ? 132 ALA D O 1 ATOM 4384 C CB . ALA C 3 132 ? 24.720 -27.020 91.371 1.00 83.31 ? 132 ALA D CB 1 ATOM 4385 N N . PRO C 3 133 ? 21.474 -27.327 91.054 1.00 88.74 ? 133 PRO D N 1 ATOM 4386 C CA . PRO C 3 133 ? 20.161 -27.185 91.690 1.00 91.67 ? 133 PRO D CA 1 ATOM 4387 C C . PRO C 3 133 ? 20.211 -27.275 93.225 1.00 96.30 ? 133 PRO D C 1 ATOM 4388 O O . PRO C 3 133 ? 20.972 -28.078 93.778 1.00 95.83 ? 133 PRO D O 1 ATOM 4389 C CB . PRO C 3 133 ? 19.362 -28.351 91.098 1.00 90.98 ? 133 PRO D CB 1 ATOM 4390 C CG . PRO C 3 133 ? 20.385 -29.389 90.790 1.00 90.37 ? 133 PRO D CG 1 ATOM 4391 C CD . PRO C 3 133 ? 21.635 -28.649 90.411 1.00 89.30 ? 133 PRO D CD 1 ATOM 4392 N N . GLY C 3 134 ? 19.403 -26.448 93.891 1.00 100.45 ? 134 GLY D N 1 ATOM 4393 C CA . GLY C 3 134 ? 19.259 -26.479 95.353 1.00 105.11 ? 134 GLY D CA 1 ATOM 4394 C C . GLY C 3 134 ? 18.352 -27.590 95.865 1.00 108.15 ? 134 GLY D C 1 ATOM 4395 O O . GLY C 3 134 ? 18.590 -28.128 96.948 1.00 107.64 ? 134 GLY D O 1 ATOM 4396 N N . THR C 3 135 ? 17.313 -27.917 95.088 1.00 112.11 ? 135 THR D N 1 ATOM 4397 C CA . THR C 3 135 ? 16.336 -28.967 95.420 1.00 115.56 ? 135 THR D CA 1 ATOM 4398 C C . THR C 3 135 ? 16.639 -30.273 94.670 1.00 118.19 ? 135 THR D C 1 ATOM 4399 O O . THR C 3 135 ? 17.167 -30.243 93.558 1.00 117.74 ? 135 THR D O 1 ATOM 4400 C CB . THR C 3 135 ? 14.898 -28.520 95.060 1.00 114.96 ? 135 THR D CB 1 ATOM 4401 O OG1 . THR C 3 135 ? 14.694 -27.161 95.465 1.00 114.03 ? 135 THR D OG1 1 ATOM 4402 C CG2 . THR C 3 135 ? 13.853 -29.407 95.741 1.00 116.34 ? 135 THR D CG2 1 ATOM 4403 N N . ALA C 3 136 ? 16.299 -31.405 95.292 1.00 122.72 ? 136 ALA D N 1 ATOM 4404 C CA . ALA C 3 136 ? 16.441 -32.739 94.687 1.00 124.91 ? 136 ALA D CA 1 ATOM 4405 C C . ALA C 3 136 ? 15.275 -33.639 95.126 1.00 128.44 ? 136 ALA D C 1 ATOM 4406 O O . ALA C 3 136 ? 15.366 -34.333 96.144 1.00 129.27 ? 136 ALA D O 1 ATOM 4407 C CB . ALA C 3 136 ? 17.778 -33.360 95.074 1.00 124.16 ? 136 ALA D CB 1 ATOM 4408 N N . LEU C 3 137 ? 14.188 -33.617 94.350 1.00 129.87 ? 137 LEU D N 1 ATOM 4409 C CA . LEU C 3 137 ? 12.916 -34.249 94.740 1.00 130.84 ? 137 LEU D CA 1 ATOM 4410 C C . LEU C 3 137 ? 12.922 -35.781 94.623 1.00 133.15 ? 137 LEU D C 1 ATOM 4411 O O . LEU C 3 137 ? 12.738 -36.482 95.624 1.00 132.23 ? 137 LEU D O 1 ATOM 4412 C CB . LEU C 3 137 ? 11.749 -33.674 93.914 1.00 128.59 ? 137 LEU D CB 1 ATOM 4413 C CG . LEU C 3 137 ? 11.473 -32.166 93.989 1.00 126.26 ? 137 LEU D CG 1 ATOM 4414 C CD1 . LEU C 3 137 ? 10.336 -31.789 93.050 1.00 124.40 ? 137 LEU D CD1 1 ATOM 4415 C CD2 . LEU C 3 137 ? 11.158 -31.725 95.411 1.00 126.81 ? 137 LEU D CD2 1 ATOM 4416 N N . LYS C 3 138 ? 13.131 -36.282 93.403 1.00 134.47 ? 138 LYS D N 1 ATOM 4417 C CA . LYS C 3 138 ? 13.010 -37.716 93.085 1.00 135.26 ? 138 LYS D CA 1 ATOM 4418 C C . LYS C 3 138 ? 14.329 -38.290 92.550 1.00 135.32 ? 138 LYS D C 1 ATOM 4419 O O . LYS C 3 138 ? 15.306 -37.557 92.356 1.00 133.34 ? 138 LYS D O 1 ATOM 4420 C CB . LYS C 3 138 ? 11.902 -37.949 92.040 1.00 134.38 ? 138 LYS D CB 1 ATOM 4421 C CG . LYS C 3 138 ? 10.785 -36.914 92.025 1.00 133.47 ? 138 LYS D CG 1 ATOM 4422 C CD . LYS C 3 138 ? 9.732 -37.242 90.979 1.00 132.74 ? 138 LYS D CD 1 ATOM 4423 C CE . LYS C 3 138 ? 8.903 -36.017 90.624 1.00 131.70 ? 138 LYS D CE 1 ATOM 4424 N NZ . LYS C 3 138 ? 8.301 -35.357 91.818 1.00 131.80 ? 138 LYS D NZ 1 ATOM 4425 N N . SER C 3 139 ? 14.336 -39.606 92.329 1.00 136.14 ? 139 SER D N 1 ATOM 4426 C CA . SER C 3 139 ? 15.403 -40.295 91.592 1.00 135.49 ? 139 SER D CA 1 ATOM 4427 C C . SER C 3 139 ? 14.855 -40.688 90.212 1.00 134.06 ? 139 SER D C 1 ATOM 4428 O O . SER C 3 139 ? 14.728 -41.872 89.878 1.00 132.84 ? 139 SER D O 1 ATOM 4429 C CB . SER C 3 139 ? 15.924 -41.510 92.375 1.00 136.49 ? 139 SER D CB 1 ATOM 4430 O OG . SER C 3 139 ? 14.881 -42.405 92.712 1.00 137.68 ? 139 SER D OG 1 ATOM 4431 N N . ASN C 3 140 ? 14.540 -39.657 89.423 1.00 133.18 ? 140 ASN D N 1 ATOM 4432 C CA . ASN C 3 140 ? 13.883 -39.795 88.110 1.00 131.85 ? 140 ASN D CA 1 ATOM 4433 C C . ASN C 3 140 ? 14.888 -39.769 86.934 1.00 129.41 ? 140 ASN D C 1 ATOM 4434 O O . ASN C 3 140 ? 16.104 -39.730 87.149 1.00 128.67 ? 140 ASN D O 1 ATOM 4435 C CB . ASN C 3 140 ? 12.761 -38.738 87.965 1.00 131.62 ? 140 ASN D CB 1 ATOM 4436 C CG . ASN C 3 140 ? 13.280 -37.314 87.885 1.00 130.16 ? 140 ASN D CG 1 ATOM 4437 O OD1 . ASN C 3 140 ? 13.752 -36.875 86.839 1.00 128.70 ? 140 ASN D OD1 1 ATOM 4438 N ND2 . ASN C 3 140 ? 13.161 -36.574 88.985 1.00 129.77 ? 140 ASN D ND2 1 ATOM 4439 N N . SER C 3 141 ? 14.378 -39.804 85.700 1.00 126.04 ? 141 SER D N 1 ATOM 4440 C CA . SER C 3 141 ? 15.215 -39.961 84.498 1.00 121.67 ? 141 SER D CA 1 ATOM 4441 C C . SER C 3 141 ? 15.785 -38.664 83.872 1.00 117.81 ? 141 SER D C 1 ATOM 4442 O O . SER C 3 141 ? 16.491 -38.754 82.862 1.00 117.72 ? 141 SER D O 1 ATOM 4443 C CB . SER C 3 141 ? 14.453 -40.784 83.437 1.00 121.39 ? 141 SER D CB 1 ATOM 4444 O OG . SER C 3 141 ? 13.151 -40.276 83.204 1.00 119.74 ? 141 SER D OG 1 ATOM 4445 N N . MET C 3 142 ? 15.514 -37.485 84.455 1.00 113.41 ? 142 MET D N 1 ATOM 4446 C CA . MET C 3 142 ? 16.089 -36.202 83.968 1.00 107.89 ? 142 MET D CA 1 ATOM 4447 C C . MET C 3 142 ? 16.389 -35.188 85.096 1.00 101.66 ? 142 MET D C 1 ATOM 4448 O O . MET C 3 142 ? 15.572 -34.979 85.991 1.00 98.07 ? 142 MET D O 1 ATOM 4449 C CB . MET C 3 142 ? 15.162 -35.535 82.934 1.00 109.50 ? 142 MET D CB 1 ATOM 4450 C CG . MET C 3 142 ? 14.892 -36.321 81.650 1.00 112.11 ? 142 MET D CG 1 ATOM 4451 S SD . MET C 3 142 ? 16.330 -36.602 80.589 1.00 116.42 ? 142 MET D SD 1 ATOM 4452 C CE . MET C 3 142 ? 15.649 -37.741 79.383 1.00 115.82 ? 142 MET D CE 1 ATOM 4453 N N . VAL C 3 143 ? 17.572 -34.569 85.029 1.00 97.16 ? 143 VAL D N 1 ATOM 4454 C CA . VAL C 3 143 ? 18.005 -33.470 85.920 1.00 94.68 ? 143 VAL D CA 1 ATOM 4455 C C . VAL C 3 143 ? 18.905 -32.537 85.108 1.00 90.33 ? 143 VAL D C 1 ATOM 4456 O O . VAL C 3 143 ? 19.809 -33.020 84.428 1.00 87.41 ? 143 VAL D O 1 ATOM 4457 C CB . VAL C 3 143 ? 18.851 -33.958 87.126 1.00 95.58 ? 143 VAL D CB 1 ATOM 4458 C CG1 . VAL C 3 143 ? 19.204 -32.792 88.054 1.00 94.62 ? 143 VAL D CG1 1 ATOM 4459 C CG2 . VAL C 3 143 ? 18.138 -35.059 87.890 1.00 97.31 ? 143 VAL D CG2 1 ATOM 4460 N N . THR C 3 144 ? 18.693 -31.223 85.208 1.00 87.55 ? 144 THR D N 1 ATOM 4461 C CA . THR C 3 144 ? 19.450 -30.251 84.400 1.00 85.24 ? 144 THR D CA 1 ATOM 4462 C C . THR C 3 144 ? 20.446 -29.450 85.253 1.00 82.37 ? 144 THR D C 1 ATOM 4463 O O . THR C 3 144 ? 20.103 -28.969 86.338 1.00 79.69 ? 144 THR D O 1 ATOM 4464 C CB . THR C 3 144 ? 18.530 -29.285 83.603 1.00 85.83 ? 144 THR D CB 1 ATOM 4465 O OG1 . THR C 3 144 ? 18.301 -28.082 84.348 1.00 88.05 ? 144 THR D OG1 1 ATOM 4466 C CG2 . THR C 3 144 ? 17.182 -29.938 83.249 1.00 86.15 ? 144 THR D CG2 1 ATOM 4467 N N . LEU C 3 145 ? 21.676 -29.332 84.744 1.00 80.82 ? 145 LEU D N 1 ATOM 4468 C CA . LEU C 3 145 ? 22.736 -28.490 85.325 1.00 79.39 ? 145 LEU D CA 1 ATOM 4469 C C . LEU C 3 145 ? 23.331 -27.611 84.239 1.00 76.66 ? 145 LEU D C 1 ATOM 4470 O O . LEU C 3 145 ? 23.082 -27.844 83.056 1.00 75.03 ? 145 LEU D O 1 ATOM 4471 C CB . LEU C 3 145 ? 23.862 -29.341 85.912 1.00 80.61 ? 145 LEU D CB 1 ATOM 4472 C CG . LEU C 3 145 ? 23.449 -30.541 86.769 1.00 81.92 ? 145 LEU D CG 1 ATOM 4473 C CD1 . LEU C 3 145 ? 23.471 -31.830 85.954 1.00 81.75 ? 145 LEU D CD1 1 ATOM 4474 C CD2 . LEU C 3 145 ? 24.349 -30.667 87.986 1.00 82.65 ? 145 LEU D CD2 1 ATOM 4475 N N . GLY C 3 146 ? 24.150 -26.635 84.633 1.00 75.28 ? 146 GLY D N 1 ATOM 4476 C CA . GLY C 3 146 ? 24.741 -25.714 83.663 1.00 74.01 ? 146 GLY D CA 1 ATOM 4477 C C . GLY C 3 146 ? 26.003 -24.982 84.063 1.00 72.70 ? 146 GLY D C 1 ATOM 4478 O O . GLY C 3 146 ? 26.443 -25.052 85.209 1.00 73.35 ? 146 GLY D O 1 ATOM 4479 N N . CYS C 3 147 ? 26.577 -24.294 83.078 1.00 71.74 ? 147 CYS D N 1 ATOM 4480 C CA . CYS C 3 147 ? 27.718 -23.407 83.249 1.00 73.11 ? 147 CYS D CA 1 ATOM 4481 C C . CYS C 3 147 ? 27.356 -22.018 82.736 1.00 70.63 ? 147 CYS D C 1 ATOM 4482 O O . CYS C 3 147 ? 26.764 -21.890 81.664 1.00 71.38 ? 147 CYS D O 1 ATOM 4483 C CB . CYS C 3 147 ? 28.928 -23.946 82.485 1.00 76.45 ? 147 CYS D CB 1 ATOM 4484 S SG . CYS C 3 147 ? 29.741 -25.287 83.381 1.00 83.81 ? 147 CYS D SG 1 ATOM 4485 N N . LEU C 3 148 ? 27.707 -20.992 83.510 1.00 67.59 ? 148 LEU D N 1 ATOM 4486 C CA . LEU C 3 148 ? 27.539 -19.597 83.112 1.00 64.41 ? 148 LEU D CA 1 ATOM 4487 C C . LEU C 3 148 ? 28.910 -19.063 82.740 1.00 61.91 ? 148 LEU D C 1 ATOM 4488 O O . LEU C 3 148 ? 29.775 -18.900 83.602 1.00 61.29 ? 148 LEU D O 1 ATOM 4489 C CB . LEU C 3 148 ? 26.942 -18.767 84.254 1.00 65.69 ? 148 LEU D CB 1 ATOM 4490 C CG . LEU C 3 148 ? 26.869 -17.239 84.093 1.00 65.77 ? 148 LEU D CG 1 ATOM 4491 C CD1 . LEU C 3 148 ? 25.847 -16.829 83.046 1.00 64.70 ? 148 LEU D CD1 1 ATOM 4492 C CD2 . LEU C 3 148 ? 26.548 -16.593 85.431 1.00 67.11 ? 148 LEU D CD2 1 ATOM 4493 N N . VAL C 3 149 ? 29.095 -18.799 81.452 1.00 59.26 ? 149 VAL D N 1 ATOM 4494 C CA . VAL C 3 149 ? 30.336 -18.252 80.930 1.00 57.18 ? 149 VAL D CA 1 ATOM 4495 C C . VAL C 3 149 ? 30.108 -16.748 80.774 1.00 55.91 ? 149 VAL D C 1 ATOM 4496 O O . VAL C 3 149 ? 29.417 -16.316 79.859 1.00 53.02 ? 149 VAL D O 1 ATOM 4497 C CB . VAL C 3 149 ? 30.720 -18.937 79.602 1.00 55.68 ? 149 VAL D CB 1 ATOM 4498 C CG1 . VAL C 3 149 ? 32.122 -18.531 79.168 1.00 55.41 ? 149 VAL D CG1 1 ATOM 4499 C CG2 . VAL C 3 149 ? 30.619 -20.452 79.744 1.00 55.30 ? 149 VAL D CG2 1 ATOM 4500 N N . LYS C 3 150 ? 30.684 -15.969 81.693 1.00 57.03 ? 150 LYS D N 1 ATOM 4501 C CA . LYS C 3 150 ? 30.393 -14.536 81.830 1.00 57.54 ? 150 LYS D CA 1 ATOM 4502 C C . LYS C 3 150 ? 31.650 -13.682 81.702 1.00 57.39 ? 150 LYS D C 1 ATOM 4503 O O . LYS C 3 150 ? 32.720 -14.044 82.196 1.00 57.83 ? 150 LYS D O 1 ATOM 4504 C CB . LYS C 3 150 ? 29.705 -14.276 83.184 1.00 58.86 ? 150 LYS D CB 1 ATOM 4505 C CG . LYS C 3 150 ? 29.601 -12.816 83.639 1.00 59.59 ? 150 LYS D CG 1 ATOM 4506 C CD . LYS C 3 150 ? 28.475 -12.642 84.658 1.00 60.07 ? 150 LYS D CD 1 ATOM 4507 C CE . LYS C 3 150 ? 28.699 -11.483 85.622 1.00 61.34 ? 150 LYS D CE 1 ATOM 4508 N NZ . LYS C 3 150 ? 28.373 -10.155 85.038 1.00 61.17 ? 150 LYS D NZ 1 ATOM 4509 N N . GLY C 3 151 ? 31.502 -12.546 81.029 1.00 56.74 ? 151 GLY D N 1 ATOM 4510 C CA . GLY C 3 151 ? 32.528 -11.524 80.987 1.00 56.61 ? 151 GLY D CA 1 ATOM 4511 C C . GLY C 3 151 ? 33.672 -11.734 80.011 1.00 56.23 ? 151 GLY D C 1 ATOM 4512 O O . GLY C 3 151 ? 34.817 -11.498 80.379 1.00 58.03 ? 151 GLY D O 1 ATOM 4513 N N . TYR C 3 152 ? 33.385 -12.147 78.773 1.00 54.62 ? 152 TYR D N 1 ATOM 4514 C CA . TYR C 3 152 ? 34.452 -12.366 77.774 1.00 53.24 ? 152 TYR D CA 1 ATOM 4515 C C . TYR C 3 152 ? 34.347 -11.491 76.526 1.00 52.31 ? 152 TYR D C 1 ATOM 4516 O O . TYR C 3 152 ? 33.304 -10.910 76.235 1.00 51.79 ? 152 TYR D O 1 ATOM 4517 C CB . TYR C 3 152 ? 34.566 -13.843 77.369 1.00 52.12 ? 152 TYR D CB 1 ATOM 4518 C CG . TYR C 3 152 ? 33.376 -14.426 76.626 1.00 51.40 ? 152 TYR D CG 1 ATOM 4519 C CD1 . TYR C 3 152 ? 32.316 -15.016 77.317 1.00 51.02 ? 152 TYR D CD1 1 ATOM 4520 C CD2 . TYR C 3 152 ? 33.321 -14.423 75.224 1.00 50.30 ? 152 TYR D CD2 1 ATOM 4521 C CE1 . TYR C 3 152 ? 31.236 -15.574 76.643 1.00 49.79 ? 152 TYR D CE1 1 ATOM 4522 C CE2 . TYR C 3 152 ? 32.236 -14.969 74.545 1.00 49.06 ? 152 TYR D CE2 1 ATOM 4523 C CZ . TYR C 3 152 ? 31.198 -15.540 75.264 1.00 49.13 ? 152 TYR D CZ 1 ATOM 4524 O OH . TYR C 3 152 ? 30.122 -16.094 74.613 1.00 49.22 ? 152 TYR D OH 1 ATOM 4525 N N . PHE C 3 153 ? 35.465 -11.414 75.809 1.00 51.49 ? 153 PHE D N 1 ATOM 4526 C CA . PHE C 3 153 ? 35.553 -10.717 74.536 1.00 50.84 ? 153 PHE D CA 1 ATOM 4527 C C . PHE C 3 153 ? 36.852 -11.132 73.840 1.00 50.60 ? 153 PHE D C 1 ATOM 4528 O O . PHE C 3 153 ? 37.850 -11.314 74.518 1.00 51.18 ? 153 PHE D O 1 ATOM 4529 C CB . PHE C 3 153 ? 35.541 -9.198 74.747 1.00 50.86 ? 153 PHE D CB 1 ATOM 4530 C CG . PHE C 3 153 ? 35.461 -8.411 73.469 1.00 50.27 ? 153 PHE D CG 1 ATOM 4531 C CD1 . PHE C 3 153 ? 34.227 -8.162 72.867 1.00 49.46 ? 153 PHE D CD1 1 ATOM 4532 C CD2 . PHE C 3 153 ? 36.614 -7.933 72.854 1.00 50.00 ? 153 PHE D CD2 1 ATOM 4533 C CE1 . PHE C 3 153 ? 34.142 -7.437 71.691 1.00 48.57 ? 153 PHE D CE1 1 ATOM 4534 C CE2 . PHE C 3 153 ? 36.535 -7.207 71.677 1.00 49.54 ? 153 PHE D CE2 1 ATOM 4535 C CZ . PHE C 3 153 ? 35.296 -6.959 71.096 1.00 49.08 ? 153 PHE D CZ 1 ATOM 4536 N N . PRO C 3 154 ? 36.863 -11.324 72.520 1.00 50.87 ? 154 PRO D N 1 ATOM 4537 C CA . PRO C 3 154 ? 35.688 -11.349 71.654 1.00 50.64 ? 154 PRO D CA 1 ATOM 4538 C C . PRO C 3 154 ? 35.031 -12.718 71.663 1.00 50.88 ? 154 PRO D C 1 ATOM 4539 O O . PRO C 3 154 ? 35.494 -13.622 72.347 1.00 51.18 ? 154 PRO D O 1 ATOM 4540 C CB . PRO C 3 154 ? 36.308 -11.126 70.280 1.00 50.07 ? 154 PRO D CB 1 ATOM 4541 C CG . PRO C 3 154 ? 37.588 -11.883 70.363 1.00 49.86 ? 154 PRO D CG 1 ATOM 4542 C CD . PRO C 3 154 ? 38.098 -11.552 71.743 1.00 51.08 ? 154 PRO D CD 1 ATOM 4543 N N . GLU C 3 155 ? 33.989 -12.877 70.859 1.00 51.77 ? 155 GLU D N 1 ATOM 4544 C CA . GLU C 3 155 ? 33.527 -14.211 70.474 1.00 52.66 ? 155 GLU D CA 1 ATOM 4545 C C . GLU C 3 155 ? 34.581 -14.919 69.587 1.00 53.03 ? 155 GLU D C 1 ATOM 4546 O O . GLU C 3 155 ? 35.423 -14.247 68.972 1.00 53.58 ? 155 GLU D O 1 ATOM 4547 C CB . GLU C 3 155 ? 32.147 -14.126 69.804 1.00 52.89 ? 155 GLU D CB 1 ATOM 4548 C CG . GLU C 3 155 ? 31.052 -14.160 70.860 1.00 54.28 ? 155 GLU D CG 1 ATOM 4549 C CD . GLU C 3 155 ? 29.660 -14.094 70.294 1.00 54.72 ? 155 GLU D CD 1 ATOM 4550 O OE1 . GLU C 3 155 ? 29.369 -13.142 69.538 1.00 55.46 ? 155 GLU D OE1 1 ATOM 4551 O OE2 . GLU C 3 155 ? 28.854 -14.984 70.635 1.00 55.05 ? 155 GLU D OE2 1 ATOM 4552 N N . PRO C 3 156 ? 34.566 -16.256 69.513 1.00 53.10 ? 156 PRO D N 1 ATOM 4553 C CA . PRO C 3 156 ? 33.548 -17.113 70.097 1.00 52.69 ? 156 PRO D CA 1 ATOM 4554 C C . PRO C 3 156 ? 34.007 -17.743 71.389 1.00 53.36 ? 156 PRO D C 1 ATOM 4555 O O . PRO C 3 156 ? 35.144 -17.539 71.840 1.00 52.53 ? 156 PRO D O 1 ATOM 4556 C CB . PRO C 3 156 ? 33.412 -18.204 69.038 1.00 51.87 ? 156 PRO D CB 1 ATOM 4557 C CG . PRO C 3 156 ? 34.815 -18.381 68.547 1.00 51.95 ? 156 PRO D CG 1 ATOM 4558 C CD . PRO C 3 156 ? 35.540 -17.067 68.758 1.00 52.78 ? 156 PRO D CD 1 ATOM 4559 N N . VAL C 3 157 ? 33.103 -18.526 71.960 1.00 54.39 ? 157 VAL D N 1 ATOM 4560 C CA . VAL C 3 157 ? 33.435 -19.426 73.037 1.00 55.20 ? 157 VAL D CA 1 ATOM 4561 C C . VAL C 3 157 ? 32.863 -20.803 72.686 1.00 55.96 ? 157 VAL D C 1 ATOM 4562 O O . VAL C 3 157 ? 31.767 -20.905 72.120 1.00 53.98 ? 157 VAL D O 1 ATOM 4563 C CB . VAL C 3 157 ? 32.941 -18.858 74.391 1.00 54.89 ? 157 VAL D CB 1 ATOM 4564 C CG1 . VAL C 3 157 ? 31.487 -19.227 74.677 1.00 54.45 ? 157 VAL D CG1 1 ATOM 4565 C CG2 . VAL C 3 157 ? 33.868 -19.290 75.518 1.00 55.42 ? 157 VAL D CG2 1 ATOM 4566 N N . THR C 3 158 ? 33.638 -21.843 72.997 1.00 58.66 ? 158 THR D N 1 ATOM 4567 C CA . THR C 3 158 ? 33.244 -23.238 72.781 1.00 60.75 ? 158 THR D CA 1 ATOM 4568 C C . THR C 3 158 ? 32.966 -23.894 74.148 1.00 62.94 ? 158 THR D C 1 ATOM 4569 O O . THR C 3 158 ? 33.649 -23.597 75.136 1.00 61.99 ? 158 THR D O 1 ATOM 4570 C CB . THR C 3 158 ? 34.324 -24.006 71.966 1.00 60.90 ? 158 THR D CB 1 ATOM 4571 O OG1 . THR C 3 158 ? 33.756 -25.182 71.386 1.00 60.80 ? 158 THR D OG1 1 ATOM 4572 C CG2 . THR C 3 158 ? 35.535 -24.407 72.822 1.00 61.95 ? 158 THR D CG2 1 ATOM 4573 N N . VAL C 3 159 ? 31.943 -24.754 74.195 1.00 65.32 ? 159 VAL D N 1 ATOM 4574 C CA . VAL C 3 159 ? 31.508 -25.425 75.433 1.00 67.07 ? 159 VAL D CA 1 ATOM 4575 C C . VAL C 3 159 ? 31.109 -26.875 75.136 1.00 68.68 ? 159 VAL D C 1 ATOM 4576 O O . VAL C 3 159 ? 30.249 -27.115 74.288 1.00 67.89 ? 159 VAL D O 1 ATOM 4577 C CB . VAL C 3 159 ? 30.307 -24.699 76.091 1.00 66.69 ? 159 VAL D CB 1 ATOM 4578 C CG1 . VAL C 3 159 ? 29.875 -25.401 77.378 1.00 67.59 ? 159 VAL D CG1 1 ATOM 4579 C CG2 . VAL C 3 159 ? 30.652 -23.244 76.375 1.00 66.94 ? 159 VAL D CG2 1 ATOM 4580 N N . THR C 3 160 ? 31.734 -27.823 75.837 1.00 71.69 ? 160 THR D N 1 ATOM 4581 C CA . THR C 3 160 ? 31.385 -29.248 75.747 1.00 75.04 ? 160 THR D CA 1 ATOM 4582 C C . THR C 3 160 ? 31.185 -29.842 77.145 1.00 79.20 ? 160 THR D C 1 ATOM 4583 O O . THR C 3 160 ? 31.686 -29.294 78.133 1.00 80.31 ? 160 THR D O 1 ATOM 4584 C CB . THR C 3 160 ? 32.477 -30.044 75.011 1.00 75.24 ? 160 THR D CB 1 ATOM 4585 O OG1 . THR C 3 160 ? 33.756 -29.764 75.597 1.00 74.88 ? 160 THR D OG1 1 ATOM 4586 C CG2 . THR C 3 160 ? 32.497 -29.685 73.525 1.00 74.16 ? 160 THR D CG2 1 ATOM 4587 N N . TRP C 3 161 ? 30.471 -30.970 77.214 1.00 82.01 ? 161 TRP D N 1 ATOM 4588 C CA . TRP C 3 161 ? 30.064 -31.593 78.490 1.00 84.33 ? 161 TRP D CA 1 ATOM 4589 C C . TRP C 3 161 ? 30.640 -33.000 78.656 1.00 85.64 ? 161 TRP D C 1 ATOM 4590 O O . TRP C 3 161 ? 30.250 -33.919 77.931 1.00 85.48 ? 161 TRP D O 1 ATOM 4591 C CB . TRP C 3 161 ? 28.538 -31.645 78.585 1.00 84.23 ? 161 TRP D CB 1 ATOM 4592 C CG . TRP C 3 161 ? 27.940 -30.314 78.838 1.00 83.73 ? 161 TRP D CG 1 ATOM 4593 C CD1 . TRP C 3 161 ? 27.428 -29.452 77.911 1.00 83.38 ? 161 TRP D CD1 1 ATOM 4594 C CD2 . TRP C 3 161 ? 27.808 -29.669 80.106 1.00 83.77 ? 161 TRP D CD2 1 ATOM 4595 N NE1 . TRP C 3 161 ? 26.974 -28.310 78.526 1.00 83.45 ? 161 TRP D NE1 1 ATOM 4596 C CE2 . TRP C 3 161 ? 27.193 -28.417 79.876 1.00 83.58 ? 161 TRP D CE2 1 ATOM 4597 C CE3 . TRP C 3 161 ? 28.143 -30.030 81.418 1.00 84.55 ? 161 TRP D CE3 1 ATOM 4598 C CZ2 . TRP C 3 161 ? 26.904 -27.520 80.914 1.00 83.42 ? 161 TRP D CZ2 1 ATOM 4599 C CZ3 . TRP C 3 161 ? 27.846 -29.144 82.454 1.00 85.22 ? 161 TRP D CZ3 1 ATOM 4600 C CH2 . TRP C 3 161 ? 27.236 -27.900 82.192 1.00 84.71 ? 161 TRP D CH2 1 ATOM 4601 N N . ASN C 3 162 ? 31.545 -33.155 79.631 1.00 86.83 ? 162 ASN D N 1 ATOM 4602 C CA . ASN C 3 162 ? 32.337 -34.381 79.819 1.00 88.22 ? 162 ASN D CA 1 ATOM 4603 C C . ASN C 3 162 ? 33.004 -34.787 78.501 1.00 89.08 ? 162 ASN D C 1 ATOM 4604 O O . ASN C 3 162 ? 32.811 -35.903 78.004 1.00 87.72 ? 162 ASN D O 1 ATOM 4605 C CB . ASN C 3 162 ? 31.477 -35.524 80.394 1.00 88.50 ? 162 ASN D CB 1 ATOM 4606 C CG . ASN C 3 162 ? 30.971 -35.241 81.804 1.00 88.33 ? 162 ASN D CG 1 ATOM 4607 O OD1 . ASN C 3 162 ? 31.557 -34.459 82.558 1.00 87.66 ? 162 ASN D OD1 1 ATOM 4608 N ND2 . ASN C 3 162 ? 29.881 -35.899 82.170 1.00 88.02 ? 162 ASN D ND2 1 ATOM 4609 N N . SER C 3 163 ? 33.762 -33.843 77.938 1.00 90.49 ? 163 SER D N 1 ATOM 4610 C CA . SER C 3 163 ? 34.382 -33.985 76.620 1.00 91.44 ? 163 SER D CA 1 ATOM 4611 C C . SER C 3 163 ? 33.284 -34.261 75.581 1.00 93.86 ? 163 SER D C 1 ATOM 4612 O O . SER C 3 163 ? 32.245 -33.601 75.623 1.00 94.93 ? 163 SER D O 1 ATOM 4613 C CB . SER C 3 163 ? 35.470 -35.060 76.667 1.00 92.39 ? 163 SER D CB 1 ATOM 4614 O OG . SER C 3 163 ? 36.238 -34.919 77.845 1.00 93.16 ? 163 SER D OG 1 ATOM 4615 N N . GLY C 3 164 ? 33.476 -35.223 74.677 1.00 96.44 ? 164 GLY D N 1 ATOM 4616 C CA . GLY C 3 164 ? 32.459 -35.557 73.675 1.00 97.43 ? 164 GLY D CA 1 ATOM 4617 C C . GLY C 3 164 ? 31.215 -36.317 74.130 1.00 98.21 ? 164 GLY D C 1 ATOM 4618 O O . GLY C 3 164 ? 30.309 -36.526 73.324 1.00 96.84 ? 164 GLY D O 1 ATOM 4619 N N . ALA C 3 165 ? 31.158 -36.748 75.393 1.00 100.48 ? 165 ALA D N 1 ATOM 4620 C CA . ALA C 3 165 ? 30.006 -37.510 75.900 1.00 102.35 ? 165 ALA D CA 1 ATOM 4621 C C . ALA C 3 165 ? 28.857 -36.579 76.305 1.00 104.27 ? 165 ALA D C 1 ATOM 4622 O O . ALA C 3 165 ? 28.608 -36.358 77.496 1.00 105.12 ? 165 ALA D O 1 ATOM 4623 C CB . ALA C 3 165 ? 30.423 -38.400 77.065 1.00 102.70 ? 165 ALA D CB 1 ATOM 4624 N N . LEU C 3 166 ? 28.160 -36.045 75.301 1.00 105.56 ? 166 LEU D N 1 ATOM 4625 C CA . LEU C 3 166 ? 27.061 -35.090 75.524 1.00 105.86 ? 166 LEU D CA 1 ATOM 4626 C C . LEU C 3 166 ? 25.856 -35.279 74.579 1.00 106.80 ? 166 LEU D C 1 ATOM 4627 O O . LEU C 3 166 ? 24.716 -35.347 75.051 1.00 107.47 ? 166 LEU D O 1 ATOM 4628 C CB . LEU C 3 166 ? 27.584 -33.639 75.509 1.00 105.92 ? 166 LEU D CB 1 ATOM 4629 C CG . LEU C 3 166 ? 27.991 -32.874 74.230 1.00 106.23 ? 166 LEU D CG 1 ATOM 4630 C CD1 . LEU C 3 166 ? 27.989 -31.363 74.456 1.00 105.55 ? 166 LEU D CD1 1 ATOM 4631 C CD2 . LEU C 3 166 ? 29.346 -33.331 73.708 1.00 105.96 ? 166 LEU D CD2 1 ATOM 4632 N N . SER C 3 167 ? 26.102 -35.359 73.266 1.00 107.03 ? 167 SER D N 1 ATOM 4633 C CA . SER C 3 167 ? 25.055 -35.642 72.260 1.00 107.79 ? 167 SER D CA 1 ATOM 4634 C C . SER C 3 167 ? 23.966 -34.547 72.220 1.00 105.49 ? 167 SER D C 1 ATOM 4635 O O . SER C 3 167 ? 24.174 -33.452 72.752 1.00 105.73 ? 167 SER D O 1 ATOM 4636 C CB . SER C 3 167 ? 24.434 -37.032 72.503 1.00 110.91 ? 167 SER D CB 1 ATOM 4637 O OG . SER C 3 167 ? 25.405 -37.977 72.923 1.00 113.94 ? 167 SER D OG 1 ATOM 4638 N N . SER C 3 168 ? 22.811 -34.843 71.611 1.00 102.36 ? 168 SER D N 1 ATOM 4639 C CA . SER C 3 168 ? 21.679 -33.898 71.547 1.00 98.80 ? 168 SER D CA 1 ATOM 4640 C C . SER C 3 168 ? 20.805 -33.846 72.828 1.00 96.89 ? 168 SER D C 1 ATOM 4641 O O . SER C 3 168 ? 19.587 -33.650 72.733 1.00 97.41 ? 168 SER D O 1 ATOM 4642 C CB . SER C 3 168 ? 20.802 -34.210 70.320 1.00 98.25 ? 168 SER D CB 1 ATOM 4643 O OG . SER C 3 168 ? 19.813 -33.211 70.107 1.00 96.80 ? 168 SER D OG 1 ATOM 4644 N N . GLY C 3 169 ? 21.417 -34.021 74.007 1.00 91.90 ? 169 GLY D N 1 ATOM 4645 C CA . GLY C 3 169 ? 20.785 -33.698 75.290 1.00 88.89 ? 169 GLY D CA 1 ATOM 4646 C C . GLY C 3 169 ? 21.242 -32.367 75.882 1.00 86.16 ? 169 GLY D C 1 ATOM 4647 O O . GLY C 3 169 ? 20.912 -32.052 77.033 1.00 86.46 ? 169 GLY D O 1 ATOM 4648 N N . VAL C 3 170 ? 21.978 -31.578 75.092 1.00 82.01 ? 170 VAL D N 1 ATOM 4649 C CA . VAL C 3 170 ? 22.621 -30.343 75.546 1.00 78.22 ? 170 VAL D CA 1 ATOM 4650 C C . VAL C 3 170 ? 21.993 -29.135 74.847 1.00 73.93 ? 170 VAL D C 1 ATOM 4651 O O . VAL C 3 170 ? 21.569 -29.221 73.693 1.00 72.36 ? 170 VAL D O 1 ATOM 4652 C CB . VAL C 3 170 ? 24.151 -30.399 75.261 1.00 78.86 ? 170 VAL D CB 1 ATOM 4653 C CG1 . VAL C 3 170 ? 24.822 -29.023 75.331 1.00 78.80 ? 170 VAL D CG1 1 ATOM 4654 C CG2 . VAL C 3 170 ? 24.823 -31.376 76.214 1.00 79.50 ? 170 VAL D CG2 1 ATOM 4655 N N . HIS C 3 171 ? 21.931 -28.020 75.572 1.00 69.71 ? 171 HIS D N 1 ATOM 4656 C CA . HIS C 3 171 ? 21.614 -26.719 74.996 1.00 65.71 ? 171 HIS D CA 1 ATOM 4657 C C . HIS C 3 171 ? 22.742 -25.753 75.339 1.00 62.53 ? 171 HIS D C 1 ATOM 4658 O O . HIS C 3 171 ? 23.180 -25.681 76.492 1.00 62.37 ? 171 HIS D O 1 ATOM 4659 C CB . HIS C 3 171 ? 20.290 -26.183 75.541 1.00 65.27 ? 171 HIS D CB 1 ATOM 4660 C CG . HIS C 3 171 ? 19.123 -27.081 75.284 1.00 65.41 ? 171 HIS D CG 1 ATOM 4661 N ND1 . HIS C 3 171 ? 18.556 -27.226 74.036 1.00 65.02 ? 171 HIS D ND1 1 ATOM 4662 C CD2 . HIS C 3 171 ? 18.418 -27.884 76.117 1.00 65.44 ? 171 HIS D CD2 1 ATOM 4663 C CE1 . HIS C 3 171 ? 17.551 -28.080 74.111 1.00 65.80 ? 171 HIS D CE1 1 ATOM 4664 N NE2 . HIS C 3 171 ? 17.445 -28.492 75.363 1.00 66.10 ? 171 HIS D NE2 1 ATOM 4665 N N . THR C 3 172 ? 23.233 -25.040 74.332 1.00 58.54 ? 172 THR D N 1 ATOM 4666 C CA . THR C 3 172 ? 24.084 -23.883 74.564 1.00 56.54 ? 172 THR D CA 1 ATOM 4667 C C . THR C 3 172 ? 23.339 -22.688 73.986 1.00 53.56 ? 172 THR D C 1 ATOM 4668 O O . THR C 3 172 ? 22.805 -22.752 72.877 1.00 51.19 ? 172 THR D O 1 ATOM 4669 C CB . THR C 3 172 ? 25.505 -24.031 73.969 1.00 56.40 ? 172 THR D CB 1 ATOM 4670 O OG1 . THR C 3 172 ? 25.538 -23.542 72.626 1.00 55.93 ? 172 THR D OG1 1 ATOM 4671 C CG2 . THR C 3 172 ? 25.965 -25.484 73.996 1.00 57.30 ? 172 THR D CG2 1 ATOM 4672 N N . PHE C 3 173 ? 23.298 -21.610 74.762 1.00 51.79 ? 173 PHE D N 1 ATOM 4673 C CA . PHE C 3 173 ? 22.456 -20.469 74.456 1.00 50.92 ? 173 PHE D CA 1 ATOM 4674 C C . PHE C 3 173 ? 23.298 -19.384 73.782 1.00 49.74 ? 173 PHE D C 1 ATOM 4675 O O . PHE C 3 173 ? 24.487 -19.257 74.082 1.00 49.40 ? 173 PHE D O 1 ATOM 4676 C CB . PHE C 3 173 ? 21.774 -19.975 75.742 1.00 51.30 ? 173 PHE D CB 1 ATOM 4677 C CG . PHE C 3 173 ? 20.789 -20.970 76.321 1.00 51.53 ? 173 PHE D CG 1 ATOM 4678 C CD1 . PHE C 3 173 ? 21.212 -21.977 77.191 1.00 51.72 ? 173 PHE D CD1 1 ATOM 4679 C CD2 . PHE C 3 173 ? 19.440 -20.919 75.976 1.00 51.52 ? 173 PHE D CD2 1 ATOM 4680 C CE1 . PHE C 3 173 ? 20.317 -22.900 77.712 1.00 51.75 ? 173 PHE D CE1 1 ATOM 4681 C CE2 . PHE C 3 173 ? 18.541 -21.845 76.494 1.00 51.94 ? 173 PHE D CE2 1 ATOM 4682 C CZ . PHE C 3 173 ? 18.980 -22.835 77.364 1.00 52.13 ? 173 PHE D CZ 1 ATOM 4683 N N . PRO C 3 174 ? 22.704 -18.624 72.839 1.00 48.96 ? 174 PRO D N 1 ATOM 4684 C CA . PRO C 3 174 ? 23.473 -17.533 72.246 1.00 48.62 ? 174 PRO D CA 1 ATOM 4685 C C . PRO C 3 174 ? 23.892 -16.483 73.267 1.00 49.30 ? 174 PRO D C 1 ATOM 4686 O O . PRO C 3 174 ? 23.103 -16.104 74.139 1.00 49.19 ? 174 PRO D O 1 ATOM 4687 C CB . PRO C 3 174 ? 22.507 -16.932 71.215 1.00 48.12 ? 174 PRO D CB 1 ATOM 4688 C CG . PRO C 3 174 ? 21.610 -18.057 70.850 1.00 48.16 ? 174 PRO D CG 1 ATOM 4689 C CD . PRO C 3 174 ? 21.428 -18.833 72.126 1.00 49.09 ? 174 PRO D CD 1 ATOM 4690 N N . ALA C 3 175 ? 25.139 -16.035 73.149 1.00 50.56 ? 175 ALA D N 1 ATOM 4691 C CA . ALA C 3 175 ? 25.686 -14.988 74.004 1.00 52.31 ? 175 ALA D CA 1 ATOM 4692 C C . ALA C 3 175 ? 24.978 -13.652 73.777 1.00 54.03 ? 175 ALA D C 1 ATOM 4693 O O . ALA C 3 175 ? 24.483 -13.380 72.674 1.00 54.24 ? 175 ALA D O 1 ATOM 4694 C CB . ALA C 3 175 ? 27.178 -14.835 73.754 1.00 52.12 ? 175 ALA D CB 1 ATOM 4695 N N . VAL C 3 176 ? 24.930 -12.834 74.827 1.00 56.20 ? 176 VAL D N 1 ATOM 4696 C CA . VAL C 3 176 ? 24.364 -11.487 74.755 1.00 57.51 ? 176 VAL D CA 1 ATOM 4697 C C . VAL C 3 176 ? 25.416 -10.471 75.177 1.00 58.41 ? 176 VAL D C 1 ATOM 4698 O O . VAL C 3 176 ? 26.194 -10.716 76.098 1.00 57.38 ? 176 VAL D O 1 ATOM 4699 C CB . VAL C 3 176 ? 23.121 -11.322 75.654 1.00 58.16 ? 176 VAL D CB 1 ATOM 4700 C CG1 . VAL C 3 176 ? 22.397 -10.014 75.330 1.00 58.68 ? 176 VAL D CG1 1 ATOM 4701 C CG2 . VAL C 3 176 ? 22.184 -12.511 75.485 1.00 57.88 ? 176 VAL D CG2 1 ATOM 4702 N N . LEU C 3 177 ? 25.408 -9.335 74.486 1.00 60.17 ? 177 LEU D N 1 ATOM 4703 C CA . LEU C 3 177 ? 26.266 -8.197 74.795 1.00 63.50 ? 177 LEU D CA 1 ATOM 4704 C C . LEU C 3 177 ? 25.544 -7.289 75.768 1.00 66.67 ? 177 LEU D C 1 ATOM 4705 O O . LEU C 3 177 ? 24.426 -6.839 75.478 1.00 67.02 ? 177 LEU D O 1 ATOM 4706 C CB . LEU C 3 177 ? 26.604 -7.394 73.526 1.00 63.51 ? 177 LEU D CB 1 ATOM 4707 C CG . LEU C 3 177 ? 27.968 -7.706 72.909 1.00 63.27 ? 177 LEU D CG 1 ATOM 4708 C CD1 . LEU C 3 177 ? 27.977 -7.405 71.414 1.00 63.01 ? 177 LEU D CD1 1 ATOM 4709 C CD2 . LEU C 3 177 ? 29.070 -6.950 73.639 1.00 63.30 ? 177 LEU D CD2 1 ATOM 4710 N N . GLN C 3 178 ? 26.180 -7.018 76.908 1.00 69.78 ? 178 GLN D N 1 ATOM 4711 C CA . GLN C 3 178 ? 25.669 -6.034 77.861 1.00 73.30 ? 178 GLN D CA 1 ATOM 4712 C C . GLN C 3 178 ? 26.549 -4.779 77.798 1.00 74.92 ? 178 GLN D C 1 ATOM 4713 O O . GLN C 3 178 ? 26.295 -3.907 76.957 1.00 75.77 ? 178 GLN D O 1 ATOM 4714 C CB . GLN C 3 178 ? 25.538 -6.634 79.270 1.00 74.49 ? 178 GLN D CB 1 ATOM 4715 C CG . GLN C 3 178 ? 24.856 -5.712 80.272 1.00 76.15 ? 178 GLN D CG 1 ATOM 4716 C CD . GLN C 3 178 ? 24.397 -6.436 81.529 1.00 77.52 ? 178 GLN D CD 1 ATOM 4717 O OE1 . GLN C 3 178 ? 24.971 -7.452 81.923 1.00 78.79 ? 178 GLN D OE1 1 ATOM 4718 N NE2 . GLN C 3 178 ? 23.351 -5.917 82.159 1.00 78.21 ? 178 GLN D NE2 1 ATOM 4719 N N . SER C 3 179 ? 27.595 -4.698 78.625 1.00 75.21 ? 179 SER D N 1 ATOM 4720 C CA . SER C 3 179 ? 28.410 -3.489 78.723 1.00 75.38 ? 179 SER D CA 1 ATOM 4721 C C . SER C 3 179 ? 29.693 -3.713 77.933 1.00 73.53 ? 179 SER D C 1 ATOM 4722 O O . SER C 3 179 ? 30.784 -3.821 78.492 1.00 73.78 ? 179 SER D O 1 ATOM 4723 C CB . SER C 3 179 ? 28.688 -3.149 80.192 1.00 77.41 ? 179 SER D CB 1 ATOM 4724 O OG . SER C 3 179 ? 27.477 -2.881 80.887 1.00 77.22 ? 179 SER D OG 1 ATOM 4725 N N . GLY C 3 180 ? 29.533 -3.801 76.615 1.00 71.46 ? 180 GLY D N 1 ATOM 4726 C CA . GLY C 3 180 ? 30.634 -4.095 75.698 1.00 69.16 ? 180 GLY D CA 1 ATOM 4727 C C . GLY C 3 180 ? 31.334 -5.421 75.944 1.00 66.80 ? 180 GLY D C 1 ATOM 4728 O O . GLY C 3 180 ? 32.500 -5.568 75.608 1.00 67.16 ? 180 GLY D O 1 ATOM 4729 N N . LEU C 3 181 ? 30.626 -6.395 76.511 1.00 65.38 ? 181 LEU D N 1 ATOM 4730 C CA . LEU C 3 181 ? 31.250 -7.662 76.891 1.00 64.05 ? 181 LEU D CA 1 ATOM 4731 C C . LEU C 3 181 ? 30.235 -8.823 76.974 1.00 60.91 ? 181 LEU D C 1 ATOM 4732 O O . LEU C 3 181 ? 29.125 -8.658 77.479 1.00 60.77 ? 181 LEU D O 1 ATOM 4733 C CB . LEU C 3 181 ? 32.079 -7.433 78.168 1.00 65.77 ? 181 LEU D CB 1 ATOM 4734 C CG . LEU C 3 181 ? 32.145 -8.421 79.328 1.00 67.27 ? 181 LEU D CG 1 ATOM 4735 C CD1 . LEU C 3 181 ? 33.461 -8.230 80.084 1.00 68.63 ? 181 LEU D CD1 1 ATOM 4736 C CD2 . LEU C 3 181 ? 30.941 -8.259 80.261 1.00 68.47 ? 181 LEU D CD2 1 ATOM 4737 N N . TYR C 3 182 ? 30.641 -9.982 76.450 1.00 58.89 ? 182 TYR D N 1 ATOM 4738 C CA . TYR C 3 182 ? 29.745 -11.121 76.176 1.00 57.43 ? 182 TYR D CA 1 ATOM 4739 C C . TYR C 3 182 ? 29.565 -12.043 77.373 1.00 56.58 ? 182 TYR D C 1 ATOM 4740 O O . TYR C 3 182 ? 30.510 -12.291 78.119 1.00 56.87 ? 182 TYR D O 1 ATOM 4741 C CB . TYR C 3 182 ? 30.275 -11.977 75.007 1.00 56.64 ? 182 TYR D CB 1 ATOM 4742 C CG . TYR C 3 182 ? 30.119 -11.350 73.645 1.00 56.50 ? 182 TYR D CG 1 ATOM 4743 C CD1 . TYR C 3 182 ? 28.906 -11.418 72.971 1.00 56.50 ? 182 TYR D CD1 1 ATOM 4744 C CD2 . TYR C 3 182 ? 31.184 -10.698 73.020 1.00 56.80 ? 182 TYR D CD2 1 ATOM 4745 C CE1 . TYR C 3 182 ? 28.747 -10.849 71.717 1.00 56.38 ? 182 TYR D CE1 1 ATOM 4746 C CE2 . TYR C 3 182 ? 31.036 -10.120 71.766 1.00 56.59 ? 182 TYR D CE2 1 ATOM 4747 C CZ . TYR C 3 182 ? 29.812 -10.201 71.118 1.00 56.75 ? 182 TYR D CZ 1 ATOM 4748 O OH . TYR C 3 182 ? 29.632 -9.640 69.874 1.00 57.13 ? 182 TYR D OH 1 ATOM 4749 N N . THR C 3 183 ? 28.355 -12.578 77.512 1.00 55.92 ? 183 THR D N 1 ATOM 4750 C CA . THR C 3 183 ? 28.028 -13.574 78.541 1.00 55.95 ? 183 THR D CA 1 ATOM 4751 C C . THR C 3 183 ? 27.021 -14.598 77.982 1.00 55.33 ? 183 THR D C 1 ATOM 4752 O O . THR C 3 183 ? 26.161 -14.252 77.163 1.00 54.89 ? 183 THR D O 1 ATOM 4753 C CB . THR C 3 183 ? 27.521 -12.911 79.850 1.00 56.66 ? 183 THR D CB 1 ATOM 4754 O OG1 . THR C 3 183 ? 26.736 -13.846 80.600 1.00 55.99 ? 183 THR D OG1 1 ATOM 4755 C CG2 . THR C 3 183 ? 26.683 -11.669 79.563 1.00 57.34 ? 183 THR D CG2 1 ATOM 4756 N N . LEU C 3 184 ? 27.137 -15.844 78.446 1.00 54.87 ? 184 LEU D N 1 ATOM 4757 C CA . LEU C 3 184 ? 26.494 -16.995 77.806 1.00 54.28 ? 184 LEU D CA 1 ATOM 4758 C C . LEU C 3 184 ? 26.287 -18.152 78.781 1.00 54.80 ? 184 LEU D C 1 ATOM 4759 O O . LEU C 3 184 ? 27.035 -18.281 79.749 1.00 53.88 ? 184 LEU D O 1 ATOM 4760 C CB . LEU C 3 184 ? 27.371 -17.438 76.632 1.00 54.01 ? 184 LEU D CB 1 ATOM 4761 C CG . LEU C 3 184 ? 27.234 -18.805 75.939 1.00 53.31 ? 184 LEU D CG 1 ATOM 4762 C CD1 . LEU C 3 184 ? 27.673 -18.676 74.484 1.00 52.52 ? 184 LEU D CD1 1 ATOM 4763 C CD2 . LEU C 3 184 ? 28.041 -19.903 76.627 1.00 53.56 ? 184 LEU D CD2 1 ATOM 4764 N N . THR C 3 185 ? 25.281 -18.990 78.502 1.00 55.54 ? 185 THR D N 1 ATOM 4765 C CA . THR C 3 185 ? 24.993 -20.188 79.300 1.00 56.85 ? 185 THR D CA 1 ATOM 4766 C C . THR C 3 185 ? 24.960 -21.466 78.465 1.00 56.97 ? 185 THR D C 1 ATOM 4767 O O . THR C 3 185 ? 24.568 -21.449 77.296 1.00 55.74 ? 185 THR D O 1 ATOM 4768 C CB . THR C 3 185 ? 23.636 -20.091 80.031 1.00 58.19 ? 185 THR D CB 1 ATOM 4769 O OG1 . THR C 3 185 ? 22.573 -19.946 79.078 1.00 57.28 ? 185 THR D OG1 1 ATOM 4770 C CG2 . THR C 3 185 ? 23.624 -18.912 80.996 1.00 59.08 ? 185 THR D CG2 1 ATOM 4771 N N . SER C 3 186 ? 25.370 -22.571 79.090 1.00 58.07 ? 186 SER D N 1 ATOM 4772 C CA . SER C 3 186 ? 25.193 -23.918 78.535 1.00 58.14 ? 186 SER D CA 1 ATOM 4773 C C . SER C 3 186 ? 24.492 -24.772 79.583 1.00 59.32 ? 186 SER D C 1 ATOM 4774 O O . SER C 3 186 ? 24.627 -24.515 80.773 1.00 58.45 ? 186 SER D O 1 ATOM 4775 C CB . SER C 3 186 ? 26.547 -24.534 78.158 1.00 57.58 ? 186 SER D CB 1 ATOM 4776 O OG . SER C 3 186 ? 26.384 -25.748 77.439 1.00 56.58 ? 186 SER D OG 1 ATOM 4777 N N . SER C 3 187 ? 23.723 -25.764 79.140 1.00 61.44 ? 187 SER D N 1 ATOM 4778 C CA . SER C 3 187 ? 23.072 -26.708 80.054 1.00 63.54 ? 187 SER D CA 1 ATOM 4779 C C . SER C 3 187 ? 23.014 -28.111 79.464 1.00 66.14 ? 187 SER D C 1 ATOM 4780 O O . SER C 3 187 ? 23.058 -28.285 78.238 1.00 65.81 ? 187 SER D O 1 ATOM 4781 C CB . SER C 3 187 ? 21.662 -26.230 80.440 1.00 63.68 ? 187 SER D CB 1 ATOM 4782 O OG . SER C 3 187 ? 20.695 -26.507 79.438 1.00 63.14 ? 187 SER D OG 1 ATOM 4783 N N . VAL C 3 188 ? 22.922 -29.101 80.353 1.00 69.33 ? 188 VAL D N 1 ATOM 4784 C CA . VAL C 3 188 ? 22.817 -30.511 79.973 1.00 71.67 ? 188 VAL D CA 1 ATOM 4785 C C . VAL C 3 188 ? 21.857 -31.226 80.929 1.00 76.18 ? 188 VAL D C 1 ATOM 4786 O O . VAL C 3 188 ? 21.904 -31.010 82.149 1.00 76.00 ? 188 VAL D O 1 ATOM 4787 C CB . VAL C 3 188 ? 24.209 -31.199 79.948 1.00 71.06 ? 188 VAL D CB 1 ATOM 4788 C CG1 . VAL C 3 188 ? 24.921 -31.099 81.295 1.00 71.96 ? 188 VAL D CG1 1 ATOM 4789 C CG2 . VAL C 3 188 ? 24.100 -32.650 79.494 1.00 71.27 ? 188 VAL D CG2 1 ATOM 4790 N N . THR C 3 189 ? 20.989 -32.068 80.368 1.00 80.36 ? 189 THR D N 1 ATOM 4791 C CA . THR C 3 189 ? 19.993 -32.795 81.153 1.00 84.72 ? 189 THR D CA 1 ATOM 4792 C C . THR C 3 189 ? 20.360 -34.289 81.226 1.00 87.18 ? 189 THR D C 1 ATOM 4793 O O . THR C 3 189 ? 20.377 -34.977 80.204 1.00 87.00 ? 189 THR D O 1 ATOM 4794 C CB . THR C 3 189 ? 18.581 -32.596 80.573 1.00 85.66 ? 189 THR D CB 1 ATOM 4795 O OG1 . THR C 3 189 ? 18.477 -33.270 79.315 1.00 88.90 ? 189 THR D OG1 1 ATOM 4796 C CG2 . THR C 3 189 ? 18.285 -31.104 80.367 1.00 85.05 ? 189 THR D CG2 1 ATOM 4797 N N . VAL C 3 190 ? 20.660 -34.770 82.437 1.00 89.78 ? 190 VAL D N 1 ATOM 4798 C CA . VAL C 3 190 ? 21.040 -36.175 82.685 1.00 92.41 ? 190 VAL D CA 1 ATOM 4799 C C . VAL C 3 190 ? 20.106 -36.817 83.718 1.00 95.04 ? 190 VAL D C 1 ATOM 4800 O O . VAL C 3 190 ? 19.417 -36.100 84.442 1.00 95.53 ? 190 VAL D O 1 ATOM 4801 C CB . VAL C 3 190 ? 22.513 -36.314 83.158 1.00 92.29 ? 190 VAL D CB 1 ATOM 4802 C CG1 . VAL C 3 190 ? 23.464 -36.008 82.011 1.00 91.94 ? 190 VAL D CG1 1 ATOM 4803 C CG2 . VAL C 3 190 ? 22.825 -35.427 84.364 1.00 91.37 ? 190 VAL D CG2 1 ATOM 4804 N N . PRO C 3 191 ? 20.073 -38.165 83.794 1.00 97.58 ? 191 PRO D N 1 ATOM 4805 C CA . PRO C 3 191 ? 19.240 -38.789 84.830 1.00 99.26 ? 191 PRO D CA 1 ATOM 4806 C C . PRO C 3 191 ? 19.652 -38.484 86.277 1.00 100.47 ? 191 PRO D C 1 ATOM 4807 O O . PRO C 3 191 ? 20.813 -38.161 86.541 1.00 98.38 ? 191 PRO D O 1 ATOM 4808 C CB . PRO C 3 191 ? 19.368 -40.289 84.530 1.00 99.76 ? 191 PRO D CB 1 ATOM 4809 C CG . PRO C 3 191 ? 19.709 -40.356 83.083 1.00 98.78 ? 191 PRO D CG 1 ATOM 4810 C CD . PRO C 3 191 ? 20.593 -39.168 82.843 1.00 97.86 ? 191 PRO D CD 1 ATOM 4811 N N . SER C 3 192 ? 18.680 -38.577 87.186 1.00 103.93 ? 192 SER D N 1 ATOM 4812 C CA . SER C 3 192 ? 18.901 -38.367 88.626 1.00 106.89 ? 192 SER D CA 1 ATOM 4813 C C . SER C 3 192 ? 19.725 -39.492 89.264 1.00 108.53 ? 192 SER D C 1 ATOM 4814 O O . SER C 3 192 ? 20.296 -39.305 90.336 1.00 109.50 ? 192 SER D O 1 ATOM 4815 C CB . SER C 3 192 ? 17.569 -38.253 89.380 1.00 108.09 ? 192 SER D CB 1 ATOM 4816 O OG . SER C 3 192 ? 16.600 -37.503 88.662 1.00 107.12 ? 192 SER D OG 1 ATOM 4817 N N . SER C 3 193 ? 19.740 -40.663 88.628 1.00 109.49 ? 193 SER D N 1 ATOM 4818 C CA . SER C 3 193 ? 20.623 -41.760 89.016 1.00 110.51 ? 193 SER D CA 1 ATOM 4819 C C . SER C 3 193 ? 22.086 -41.423 88.705 1.00 110.07 ? 193 SER D C 1 ATOM 4820 O O . SER C 3 193 ? 22.973 -41.655 89.534 1.00 109.47 ? 193 SER D O 1 ATOM 4821 C CB . SER C 3 193 ? 20.216 -43.045 88.283 1.00 111.58 ? 193 SER D CB 1 ATOM 4822 O OG . SER C 3 193 ? 18.815 -43.261 88.366 1.00 112.07 ? 193 SER D OG 1 ATOM 4823 N N . THR C 3 194 ? 22.313 -40.867 87.513 1.00 108.92 ? 194 THR D N 1 ATOM 4824 C CA . THR C 3 194 ? 23.656 -40.565 87.001 1.00 107.31 ? 194 THR D CA 1 ATOM 4825 C C . THR C 3 194 ? 24.326 -39.396 87.717 1.00 105.99 ? 194 THR D C 1 ATOM 4826 O O . THR C 3 194 ? 25.472 -39.516 88.145 1.00 104.65 ? 194 THR D O 1 ATOM 4827 C CB . THR C 3 194 ? 23.615 -40.237 85.486 1.00 105.88 ? 194 THR D CB 1 ATOM 4828 O OG1 . THR C 3 194 ? 22.997 -41.317 84.777 1.00 105.47 ? 194 THR D OG1 1 ATOM 4829 C CG2 . THR C 3 194 ? 25.021 -39.999 84.918 1.00 104.87 ? 194 THR D CG2 1 ATOM 4830 N N . TRP C 3 195 ? 23.612 -38.275 87.833 1.00 106.16 ? 195 TRP D N 1 ATOM 4831 C CA . TRP C 3 195 ? 24.223 -37.001 88.257 1.00 106.03 ? 195 TRP D CA 1 ATOM 4832 C C . TRP C 3 195 ? 24.941 -37.068 89.616 1.00 108.38 ? 195 TRP D C 1 ATOM 4833 O O . TRP C 3 195 ? 26.160 -36.961 89.642 1.00 111.30 ? 195 TRP D O 1 ATOM 4834 C CB . TRP C 3 195 ? 23.227 -35.818 88.163 1.00 103.80 ? 195 TRP D CB 1 ATOM 4835 C CG . TRP C 3 195 ? 23.436 -34.697 89.171 1.00 101.86 ? 195 TRP D CG 1 ATOM 4836 C CD1 . TRP C 3 195 ? 22.499 -34.175 90.023 1.00 102.07 ? 195 TRP D CD1 1 ATOM 4837 C CD2 . TRP C 3 195 ? 24.650 -33.982 89.430 1.00 99.10 ? 195 TRP D CD2 1 ATOM 4838 N NE1 . TRP C 3 195 ? 23.053 -33.178 90.791 1.00 100.21 ? 195 TRP D NE1 1 ATOM 4839 C CE2 . TRP C 3 195 ? 24.373 -33.046 90.455 1.00 99.04 ? 195 TRP D CE2 1 ATOM 4840 C CE3 . TRP C 3 195 ? 25.946 -34.046 88.901 1.00 97.67 ? 195 TRP D CE3 1 ATOM 4841 C CZ2 . TRP C 3 195 ? 25.338 -32.169 90.946 1.00 98.37 ? 195 TRP D CZ2 1 ATOM 4842 C CZ3 . TRP C 3 195 ? 26.909 -33.189 89.401 1.00 97.73 ? 195 TRP D CZ3 1 ATOM 4843 C CH2 . TRP C 3 195 ? 26.598 -32.259 90.416 1.00 98.20 ? 195 TRP D CH2 1 ATOM 4844 N N . PRO C 3 196 ? 24.211 -37.253 90.734 1.00 109.56 ? 196 PRO D N 1 ATOM 4845 C CA . PRO C 3 196 ? 24.916 -37.241 92.024 1.00 110.64 ? 196 PRO D CA 1 ATOM 4846 C C . PRO C 3 196 ? 26.100 -38.220 92.076 1.00 111.33 ? 196 PRO D C 1 ATOM 4847 O O . PRO C 3 196 ? 27.174 -37.851 92.559 1.00 111.97 ? 196 PRO D O 1 ATOM 4848 C CB . PRO C 3 196 ? 23.825 -37.636 93.032 1.00 111.62 ? 196 PRO D CB 1 ATOM 4849 C CG . PRO C 3 196 ? 22.536 -37.348 92.344 1.00 111.03 ? 196 PRO D CG 1 ATOM 4850 C CD . PRO C 3 196 ? 22.798 -37.628 90.897 1.00 110.57 ? 196 PRO D CD 1 ATOM 4851 N N . SER C 3 197 ? 25.904 -39.431 91.546 1.00 111.27 ? 197 SER D N 1 ATOM 4852 C CA . SER C 3 197 ? 26.946 -40.469 91.515 1.00 110.67 ? 197 SER D CA 1 ATOM 4853 C C . SER C 3 197 ? 28.167 -40.072 90.672 1.00 108.28 ? 197 SER D C 1 ATOM 4854 O O . SER C 3 197 ? 29.267 -39.944 91.214 1.00 108.90 ? 197 SER D O 1 ATOM 4855 C CB . SER C 3 197 ? 26.371 -41.809 91.027 1.00 111.26 ? 197 SER D CB 1 ATOM 4856 O OG . SER C 3 197 ? 25.743 -41.681 89.763 1.00 110.42 ? 197 SER D OG 1 ATOM 4857 N N . GLN C 3 198 ? 27.971 -39.869 89.366 1.00 104.96 ? 198 GLN D N 1 ATOM 4858 C CA . GLN C 3 198 ? 29.071 -39.464 88.459 1.00 103.07 ? 198 GLN D CA 1 ATOM 4859 C C . GLN C 3 198 ? 29.455 -37.987 88.646 1.00 100.42 ? 198 GLN D C 1 ATOM 4860 O O . GLN C 3 198 ? 28.726 -37.219 89.267 1.00 99.94 ? 198 GLN D O 1 ATOM 4861 C CB . GLN C 3 198 ? 28.726 -39.732 86.976 1.00 102.04 ? 198 GLN D CB 1 ATOM 4862 C CG . GLN C 3 198 ? 29.052 -41.137 86.468 1.00 102.42 ? 198 GLN D CG 1 ATOM 4863 C CD . GLN C 3 198 ? 27.894 -42.115 86.586 1.00 102.85 ? 198 GLN D CD 1 ATOM 4864 O OE1 . GLN C 3 198 ? 27.372 -42.594 85.579 1.00 102.15 ? 198 GLN D OE1 1 ATOM 4865 N NE2 . GLN C 3 198 ? 27.490 -42.419 87.814 1.00 102.91 ? 198 GLN D NE2 1 ATOM 4866 N N . THR C 3 199 ? 30.616 -37.609 88.117 1.00 98.47 ? 199 THR D N 1 ATOM 4867 C CA . THR C 3 199 ? 31.066 -36.217 88.127 1.00 95.64 ? 199 THR D CA 1 ATOM 4868 C C . THR C 3 199 ? 30.754 -35.610 86.759 1.00 93.66 ? 199 THR D C 1 ATOM 4869 O O . THR C 3 199 ? 31.282 -36.068 85.743 1.00 92.72 ? 199 THR D O 1 ATOM 4870 C CB . THR C 3 199 ? 32.580 -36.107 88.430 1.00 94.32 ? 199 THR D CB 1 ATOM 4871 O OG1 . THR C 3 199 ? 32.897 -36.888 89.586 1.00 93.15 ? 199 THR D OG1 1 ATOM 4872 C CG2 . THR C 3 199 ? 32.994 -34.656 88.688 1.00 93.20 ? 199 THR D CG2 1 ATOM 4873 N N . VAL C 3 200 ? 29.875 -34.606 86.738 1.00 92.09 ? 200 VAL D N 1 ATOM 4874 C CA . VAL C 3 200 ? 29.613 -33.809 85.534 1.00 90.40 ? 200 VAL D CA 1 ATOM 4875 C C . VAL C 3 200 ? 30.566 -32.611 85.526 1.00 88.62 ? 200 VAL D C 1 ATOM 4876 O O . VAL C 3 200 ? 30.773 -31.968 86.560 1.00 88.61 ? 200 VAL D O 1 ATOM 4877 C CB . VAL C 3 200 ? 28.148 -33.309 85.473 1.00 90.92 ? 200 VAL D CB 1 ATOM 4878 C CG1 . VAL C 3 200 ? 27.927 -32.400 84.265 1.00 90.01 ? 200 VAL D CG1 1 ATOM 4879 C CG2 . VAL C 3 200 ? 27.176 -34.484 85.435 1.00 91.75 ? 200 VAL D CG2 1 ATOM 4880 N N . THR C 3 201 ? 31.148 -32.328 84.362 1.00 86.99 ? 201 THR D N 1 ATOM 4881 C CA . THR C 3 201 ? 32.105 -31.232 84.202 1.00 85.75 ? 201 THR D CA 1 ATOM 4882 C C . THR C 3 201 ? 31.963 -30.625 82.810 1.00 84.35 ? 201 THR D C 1 ATOM 4883 O O . THR C 3 201 ? 32.155 -31.323 81.809 1.00 83.80 ? 201 THR D O 1 ATOM 4884 C CB . THR C 3 201 ? 33.553 -31.732 84.387 1.00 85.79 ? 201 THR D CB 1 ATOM 4885 O OG1 . THR C 3 201 ? 33.696 -32.326 85.684 1.00 86.44 ? 201 THR D OG1 1 ATOM 4886 C CG2 . THR C 3 201 ? 34.562 -30.592 84.241 1.00 85.34 ? 201 THR D CG2 1 ATOM 4887 N N . CYS C 3 202 ? 31.616 -29.338 82.746 1.00 83.30 ? 202 CYS D N 1 ATOM 4888 C CA . CYS C 3 202 ? 31.628 -28.615 81.471 1.00 82.66 ? 202 CYS D CA 1 ATOM 4889 C C . CYS C 3 202 ? 33.053 -28.175 81.149 1.00 80.91 ? 202 CYS D C 1 ATOM 4890 O O . CYS C 3 202 ? 33.850 -27.900 82.051 1.00 80.86 ? 202 CYS D O 1 ATOM 4891 C CB . CYS C 3 202 ? 30.676 -27.416 81.479 1.00 82.73 ? 202 CYS D CB 1 ATOM 4892 S SG . CYS C 3 202 ? 31.290 -25.885 82.214 1.00 84.54 ? 202 CYS D SG 1 ATOM 4893 N N . ASN C 3 203 ? 33.351 -28.108 79.855 1.00 78.68 ? 203 ASN D N 1 ATOM 4894 C CA . ASN C 3 203 ? 34.682 -27.779 79.358 1.00 76.68 ? 203 ASN D CA 1 ATOM 4895 C C . ASN C 3 203 ? 34.581 -26.542 78.479 1.00 73.01 ? 203 ASN D C 1 ATOM 4896 O O . ASN C 3 203 ? 34.124 -26.621 77.336 1.00 71.30 ? 203 ASN D O 1 ATOM 4897 C CB . ASN C 3 203 ? 35.250 -28.962 78.581 1.00 76.84 ? 203 ASN D CB 1 ATOM 4898 C CG . ASN C 3 203 ? 35.368 -30.206 79.434 1.00 77.99 ? 203 ASN D CG 1 ATOM 4899 O OD1 . ASN C 3 203 ? 34.654 -31.188 79.227 1.00 78.00 ? 203 ASN D OD1 1 ATOM 4900 N ND2 . ASN C 3 203 ? 36.261 -30.162 80.418 1.00 79.74 ? 203 ASN D ND2 1 ATOM 4901 N N . VAL C 3 204 ? 34.986 -25.403 79.040 1.00 71.03 ? 204 VAL D N 1 ATOM 4902 C CA . VAL C 3 204 ? 34.893 -24.106 78.372 1.00 69.60 ? 204 VAL D CA 1 ATOM 4903 C C . VAL C 3 204 ? 36.256 -23.730 77.805 1.00 68.84 ? 204 VAL D C 1 ATOM 4904 O O . VAL C 3 204 ? 37.281 -23.936 78.466 1.00 69.86 ? 204 VAL D O 1 ATOM 4905 C CB . VAL C 3 204 ? 34.420 -23.006 79.352 1.00 69.07 ? 204 VAL D CB 1 ATOM 4906 C CG1 . VAL C 3 204 ? 34.402 -21.636 78.676 1.00 68.15 ? 204 VAL D CG1 1 ATOM 4907 C CG2 . VAL C 3 204 ? 33.044 -23.355 79.907 1.00 68.96 ? 204 VAL D CG2 1 ATOM 4908 N N . ALA C 3 205 ? 36.261 -23.185 76.587 1.00 67.09 ? 205 ALA D N 1 ATOM 4909 C CA . ALA C 3 205 ? 37.489 -22.696 75.952 1.00 66.23 ? 205 ALA D CA 1 ATOM 4910 C C . ALA C 3 205 ? 37.241 -21.378 75.220 1.00 64.76 ? 205 ALA D C 1 ATOM 4911 O O . ALA C 3 205 ? 36.262 -21.250 74.473 1.00 62.63 ? 205 ALA D O 1 ATOM 4912 C CB . ALA C 3 205 ? 38.074 -23.747 75.004 1.00 65.55 ? 205 ALA D CB 1 ATOM 4913 N N . HIS C 3 206 ? 38.127 -20.411 75.470 1.00 64.72 ? 206 HIS D N 1 ATOM 4914 C CA . HIS C 3 206 ? 38.136 -19.115 74.792 1.00 64.22 ? 206 HIS D CA 1 ATOM 4915 C C . HIS C 3 206 ? 39.524 -18.891 74.167 1.00 65.56 ? 206 HIS D C 1 ATOM 4916 O O . HIS C 3 206 ? 40.408 -18.307 74.807 1.00 66.17 ? 206 HIS D O 1 ATOM 4917 C CB . HIS C 3 206 ? 37.790 -17.997 75.780 1.00 62.66 ? 206 HIS D CB 1 ATOM 4918 C CG . HIS C 3 206 ? 37.454 -16.696 75.122 1.00 61.30 ? 206 HIS D CG 1 ATOM 4919 N ND1 . HIS C 3 206 ? 38.337 -15.644 75.054 1.00 60.19 ? 206 HIS D ND1 1 ATOM 4920 C CD2 . HIS C 3 206 ? 36.329 -16.278 74.496 1.00 60.79 ? 206 HIS D CD2 1 ATOM 4921 C CE1 . HIS C 3 206 ? 37.769 -14.629 74.431 1.00 59.66 ? 206 HIS D CE1 1 ATOM 4922 N NE2 . HIS C 3 206 ? 36.551 -14.988 74.079 1.00 59.82 ? 206 HIS D NE2 1 ATOM 4923 N N . PRO C 3 207 ? 39.730 -19.377 72.922 1.00 66.56 ? 207 PRO D N 1 ATOM 4924 C CA . PRO C 3 207 ? 41.046 -19.269 72.273 1.00 67.52 ? 207 PRO D CA 1 ATOM 4925 C C . PRO C 3 207 ? 41.624 -17.850 72.274 1.00 68.03 ? 207 PRO D C 1 ATOM 4926 O O . PRO C 3 207 ? 42.804 -17.681 72.582 1.00 68.30 ? 207 PRO D O 1 ATOM 4927 C CB . PRO C 3 207 ? 40.771 -19.748 70.841 1.00 67.15 ? 207 PRO D CB 1 ATOM 4928 C CG . PRO C 3 207 ? 39.603 -20.661 70.964 1.00 66.42 ? 207 PRO D CG 1 ATOM 4929 C CD . PRO C 3 207 ? 38.759 -20.087 72.065 1.00 66.39 ? 207 PRO D CD 1 ATOM 4930 N N . GLY C 3 208 ? 40.779 -16.857 71.981 1.00 68.47 ? 208 GLY D N 1 ATOM 4931 C CA . GLY C 3 208 ? 41.137 -15.431 71.991 1.00 69.64 ? 208 GLY D CA 1 ATOM 4932 C C . GLY C 3 208 ? 42.092 -14.936 73.067 1.00 72.59 ? 208 GLY D C 1 ATOM 4933 O O . GLY C 3 208 ? 42.879 -14.031 72.810 1.00 74.79 ? 208 GLY D O 1 ATOM 4934 N N . GLN C 3 209 ? 42.027 -15.509 74.269 1.00 75.51 ? 209 GLN D N 1 ATOM 4935 C CA . GLN C 3 209 ? 43.011 -15.197 75.322 1.00 78.28 ? 209 GLN D CA 1 ATOM 4936 C C . GLN C 3 209 ? 43.516 -16.428 76.097 1.00 77.83 ? 209 GLN D C 1 ATOM 4937 O O . GLN C 3 209 ? 43.794 -16.355 77.289 1.00 75.35 ? 209 GLN D O 1 ATOM 4938 C CB . GLN C 3 209 ? 42.490 -14.072 76.240 1.00 81.16 ? 209 GLN D CB 1 ATOM 4939 C CG . GLN C 3 209 ? 41.622 -14.451 77.442 1.00 83.98 ? 209 GLN D CG 1 ATOM 4940 C CD . GLN C 3 209 ? 40.523 -15.447 77.130 1.00 84.51 ? 209 GLN D CD 1 ATOM 4941 O OE1 . GLN C 3 209 ? 39.377 -15.064 76.944 1.00 87.31 ? 209 GLN D OE1 1 ATOM 4942 N NE2 . GLN C 3 209 ? 40.861 -16.722 77.077 1.00 84.73 ? 209 GLN D NE2 1 ATOM 4943 N N . GLN C 3 210 ? 43.666 -17.541 75.378 1.00 79.79 ? 210 GLN D N 1 ATOM 4944 C CA . GLN C 3 210 ? 44.308 -18.777 75.862 1.00 82.44 ? 210 GLN D CA 1 ATOM 4945 C C . GLN C 3 210 ? 43.805 -19.350 77.212 1.00 83.06 ? 210 GLN D C 1 ATOM 4946 O O . GLN C 3 210 ? 44.597 -19.680 78.106 1.00 82.16 ? 210 GLN D O 1 ATOM 4947 C CB . GLN C 3 210 ? 45.855 -18.650 75.808 1.00 84.54 ? 210 GLN D CB 1 ATOM 4948 C CG . GLN C 3 210 ? 46.555 -17.716 76.815 1.00 87.69 ? 210 GLN D CG 1 ATOM 4949 C CD . GLN C 3 210 ? 46.859 -16.305 76.303 1.00 89.41 ? 210 GLN D CD 1 ATOM 4950 O OE1 . GLN C 3 210 ? 46.444 -15.907 75.210 1.00 90.06 ? 210 GLN D OE1 1 ATOM 4951 N NE2 . GLN C 3 210 ? 47.594 -15.537 77.111 1.00 90.50 ? 210 GLN D NE2 1 ATOM 4952 N N . HIS C 3 211 ? 42.482 -19.481 77.335 1.00 84.63 ? 211 HIS D N 1 ATOM 4953 C CA . HIS C 3 211 ? 41.855 -20.093 78.521 1.00 86.05 ? 211 HIS D CA 1 ATOM 4954 C C . HIS C 3 211 ? 41.156 -21.399 78.137 1.00 84.97 ? 211 HIS D C 1 ATOM 4955 O O . HIS C 3 211 ? 40.477 -21.472 77.110 1.00 81.73 ? 211 HIS D O 1 ATOM 4956 C CB . HIS C 3 211 ? 40.890 -19.120 79.226 1.00 86.53 ? 211 HIS D CB 1 ATOM 4957 C CG . HIS C 3 211 ? 41.564 -18.207 80.215 1.00 89.74 ? 211 HIS D CG 1 ATOM 4958 N ND1 . HIS C 3 211 ? 40.975 -17.827 81.403 1.00 91.97 ? 211 HIS D ND1 1 ATOM 4959 C CD2 . HIS C 3 211 ? 42.790 -17.628 80.208 1.00 91.22 ? 211 HIS D CD2 1 ATOM 4960 C CE1 . HIS C 3 211 ? 41.798 -17.040 82.074 1.00 91.55 ? 211 HIS D CE1 1 ATOM 4961 N NE2 . HIS C 3 211 ? 42.907 -16.903 81.371 1.00 91.73 ? 211 HIS D NE2 1 ATOM 4962 N N . GLN C 3 212 ? 41.378 -22.423 78.964 1.00 86.63 ? 212 GLN D N 1 ATOM 4963 C CA . GLN C 3 212 ? 40.782 -23.751 78.824 1.00 88.01 ? 212 GLN D CA 1 ATOM 4964 C C . GLN C 3 212 ? 40.347 -24.205 80.224 1.00 87.74 ? 212 GLN D C 1 ATOM 4965 O O . GLN C 3 212 ? 41.159 -24.729 80.992 1.00 85.75 ? 212 GLN D O 1 ATOM 4966 C CB . GLN C 3 212 ? 41.808 -24.722 78.218 1.00 89.90 ? 212 GLN D CB 1 ATOM 4967 C CG . GLN C 3 212 ? 41.362 -26.178 78.090 1.00 91.83 ? 212 GLN D CG 1 ATOM 4968 C CD . GLN C 3 212 ? 40.265 -26.370 77.061 1.00 92.82 ? 212 GLN D CD 1 ATOM 4969 O OE1 . GLN C 3 212 ? 40.417 -25.986 75.899 1.00 95.14 ? 212 GLN D OE1 1 ATOM 4970 N NE2 . GLN C 3 212 ? 39.156 -26.976 77.479 1.00 92.34 ? 212 GLN D NE2 1 ATOM 4971 N N . ARG C 3 213 ? 39.070 -23.986 80.544 1.00 88.91 ? 213 ARG D N 1 ATOM 4972 C CA . ARG C 3 213 ? 38.538 -24.211 81.896 1.00 91.23 ? 213 ARG D CA 1 ATOM 4973 C C . ARG C 3 213 ? 37.745 -25.506 82.035 1.00 90.26 ? 213 ARG D C 1 ATOM 4974 O O . ARG C 3 213 ? 37.165 -26.009 81.073 1.00 86.63 ? 213 ARG D O 1 ATOM 4975 C CB . ARG C 3 213 ? 37.660 -23.031 82.348 1.00 92.29 ? 213 ARG D CB 1 ATOM 4976 C CG . ARG C 3 213 ? 38.422 -21.865 82.979 1.00 94.57 ? 213 ARG D CG 1 ATOM 4977 C CD . ARG C 3 213 ? 37.611 -21.229 84.103 1.00 96.83 ? 213 ARG D CD 1 ATOM 4978 N NE . ARG C 3 213 ? 38.233 -20.036 84.689 1.00 98.89 ? 213 ARG D NE 1 ATOM 4979 C CZ . ARG C 3 213 ? 37.818 -19.419 85.803 1.00 99.56 ? 213 ARG D CZ 1 ATOM 4980 N NH1 . ARG C 3 213 ? 36.770 -19.867 86.496 1.00 99.32 ? 213 ARG D NH1 1 ATOM 4981 N NH2 . ARG C 3 213 ? 38.465 -18.339 86.240 1.00 100.23 ? 213 ARG D NH2 1 ATOM 4982 N N . TRP C 3 214 ? 37.743 -26.023 83.263 1.00 93.64 ? 214 TRP D N 1 ATOM 4983 C CA . TRP C 3 214 ? 36.954 -27.186 83.657 1.00 95.58 ? 214 TRP D CA 1 ATOM 4984 C C . TRP C 3 214 ? 36.374 -26.956 85.068 1.00 93.20 ? 214 TRP D C 1 ATOM 4985 O O . TRP C 3 214 ? 37.124 -26.886 86.042 1.00 92.93 ? 214 TRP D O 1 ATOM 4986 C CB . TRP C 3 214 ? 37.819 -28.462 83.588 1.00 99.92 ? 214 TRP D CB 1 ATOM 4987 C CG . TRP C 3 214 ? 39.004 -28.526 84.564 1.00 105.27 ? 214 TRP D CG 1 ATOM 4988 C CD1 . TRP C 3 214 ? 39.062 -29.237 85.741 1.00 107.41 ? 214 TRP D CD1 1 ATOM 4989 C CD2 . TRP C 3 214 ? 40.278 -27.864 84.439 1.00 107.75 ? 214 TRP D CD2 1 ATOM 4990 N NE1 . TRP C 3 214 ? 40.285 -29.055 86.350 1.00 108.82 ? 214 TRP D NE1 1 ATOM 4991 C CE2 . TRP C 3 214 ? 41.050 -28.221 85.576 1.00 109.36 ? 214 TRP D CE2 1 ATOM 4992 C CE3 . TRP C 3 214 ? 40.842 -27.007 83.479 1.00 106.55 ? 214 TRP D CE3 1 ATOM 4993 C CZ2 . TRP C 3 214 ? 42.359 -27.749 85.777 1.00 110.33 ? 214 TRP D CZ2 1 ATOM 4994 C CZ3 . TRP C 3 214 ? 42.147 -26.536 83.680 1.00 107.61 ? 214 TRP D CZ3 1 ATOM 4995 C CH2 . TRP C 3 214 ? 42.887 -26.910 84.822 1.00 109.54 ? 214 TRP D CH2 1 ATOM 4996 N N . THR C 3 215 ? 35.051 -26.789 85.171 1.00 91.78 ? 215 THR D N 1 ATOM 4997 C CA . THR C 3 215 ? 34.373 -26.681 86.483 1.00 91.30 ? 215 THR D CA 1 ATOM 4998 C C . THR C 3 215 ? 33.582 -27.958 86.753 1.00 89.19 ? 215 THR D C 1 ATOM 4999 O O . THR C 3 215 ? 32.638 -28.274 86.028 1.00 85.76 ? 215 THR D O 1 ATOM 5000 C CB . THR C 3 215 ? 33.422 -25.462 86.588 1.00 90.91 ? 215 THR D CB 1 ATOM 5001 O OG1 . THR C 3 215 ? 33.960 -24.352 85.863 1.00 92.18 ? 215 THR D OG1 1 ATOM 5002 C CG2 . THR C 3 215 ? 33.235 -25.049 88.046 1.00 91.27 ? 215 THR D CG2 1 ATOM 5003 N N . ARG C 3 216 ? 33.995 -28.694 87.783 1.00 90.02 ? 216 ARG D N 1 ATOM 5004 C CA . ARG C 3 216 ? 33.253 -29.855 88.254 1.00 91.25 ? 216 ARG D CA 1 ATOM 5005 C C . ARG C 3 216 ? 31.970 -29.356 88.903 1.00 91.76 ? 216 ARG D C 1 ATOM 5006 O O . ARG C 3 216 ? 31.996 -28.381 89.661 1.00 93.10 ? 216 ARG D O 1 ATOM 5007 C CB . ARG C 3 216 ? 34.075 -30.657 89.267 1.00 91.82 ? 216 ARG D CB 1 ATOM 5008 N N . LYS C 3 217 ? 30.854 -30.011 88.587 1.00 91.79 ? 217 LYS D N 1 ATOM 5009 C CA . LYS C 3 217 ? 29.552 -29.657 89.158 1.00 92.20 ? 217 LYS D CA 1 ATOM 5010 C C . LYS C 3 217 ? 29.490 -30.169 90.585 1.00 93.56 ? 217 LYS D C 1 ATOM 5011 O O . LYS C 3 217 ? 29.807 -31.334 90.828 1.00 94.51 ? 217 LYS D O 1 ATOM 5012 C CB . LYS C 3 217 ? 28.415 -30.307 88.365 1.00 92.55 ? 217 LYS D CB 1 ATOM 5013 C CG . LYS C 3 217 ? 28.293 -29.922 86.894 1.00 92.11 ? 217 LYS D CG 1 ATOM 5014 C CD . LYS C 3 217 ? 28.059 -28.438 86.697 1.00 91.89 ? 217 LYS D CD 1 ATOM 5015 C CE . LYS C 3 217 ? 29.360 -27.702 86.417 1.00 92.09 ? 217 LYS D CE 1 ATOM 5016 N NZ . LYS C 3 217 ? 29.256 -26.275 86.794 1.00 92.39 ? 217 LYS D NZ 1 ATOM 5017 N N . LEU C 3 218 ? 29.075 -29.313 91.519 1.00 94.77 ? 218 LEU D N 1 ATOM 5018 C CA . LEU C 3 218 ? 28.902 -29.703 92.923 1.00 96.72 ? 218 LEU D CA 1 ATOM 5019 C C . LEU C 3 218 ? 27.422 -29.941 93.220 1.00 97.25 ? 218 LEU D C 1 ATOM 5020 O O . LEU C 3 218 ? 26.580 -29.150 92.800 1.00 94.47 ? 218 LEU D O 1 ATOM 5021 C CB . LEU C 3 218 ? 29.448 -28.614 93.854 1.00 97.38 ? 218 LEU D CB 1 ATOM 5022 C CG . LEU C 3 218 ? 30.811 -28.003 93.496 1.00 97.13 ? 218 LEU D CG 1 ATOM 5023 C CD1 . LEU C 3 218 ? 31.255 -27.026 94.577 1.00 97.71 ? 218 LEU D CD1 1 ATOM 5024 C CD2 . LEU C 3 218 ? 31.862 -29.081 93.277 1.00 97.06 ? 218 LEU D CD2 1 ATOM 5025 N N . CYS C 3 219 ? 27.114 -31.038 93.918 1.00 100.56 ? 219 CYS D N 1 ATOM 5026 C CA . CYS C 3 219 ? 25.769 -31.274 94.481 1.00 102.03 ? 219 CYS D CA 1 ATOM 5027 C C . CYS C 3 219 ? 25.758 -30.905 95.963 1.00 103.24 ? 219 CYS D C 1 ATOM 5028 O O . CYS C 3 219 ? 25.773 -29.724 96.314 1.00 103.60 ? 219 CYS D O 1 ATOM 5029 C CB . CYS C 3 219 ? 25.281 -32.725 94.268 1.00 102.47 ? 219 CYS D CB 1 ATOM 5030 S SG . CYS C 3 219 ? 26.481 -33.924 93.625 1.00 104.04 ? 219 CYS D SG 1 ATOM 5031 N N . ILE D 4 1 ? -6.217 -25.943 -10.339 1.00 95.46 ? 1 ILE A N 1 ATOM 5032 C CA . ILE D 4 1 ? -5.014 -26.830 -10.373 1.00 94.31 ? 1 ILE A CA 1 ATOM 5033 C C . ILE D 4 1 ? -4.143 -26.618 -9.125 1.00 93.77 ? 1 ILE A C 1 ATOM 5034 O O . ILE D 4 1 ? -4.042 -25.495 -8.618 1.00 94.15 ? 1 ILE A O 1 ATOM 5035 C CB . ILE D 4 1 ? -4.192 -26.630 -11.677 1.00 93.84 ? 1 ILE A CB 1 ATOM 5036 C CG1 . ILE D 4 1 ? -3.085 -27.692 -11.793 1.00 92.74 ? 1 ILE A CG1 1 ATOM 5037 C CG2 . ILE D 4 1 ? -3.629 -25.211 -11.783 1.00 93.12 ? 1 ILE A CG2 1 ATOM 5038 C CD1 . ILE D 4 1 ? -2.370 -27.693 -13.130 1.00 93.00 ? 1 ILE A CD1 1 ATOM 5039 N N . VAL D 4 2 ? -3.528 -27.700 -8.640 1.00 93.44 ? 2 VAL A N 1 ATOM 5040 C CA . VAL D 4 2 ? -2.660 -27.663 -7.450 1.00 92.67 ? 2 VAL A CA 1 ATOM 5041 C C . VAL D 4 2 ? -1.205 -27.914 -7.868 1.00 91.41 ? 2 VAL A C 1 ATOM 5042 O O . VAL D 4 2 ? -0.877 -28.992 -8.363 1.00 92.05 ? 2 VAL A O 1 ATOM 5043 C CB . VAL D 4 2 ? -3.101 -28.699 -6.377 1.00 92.92 ? 2 VAL A CB 1 ATOM 5044 C CG1 . VAL D 4 2 ? -2.203 -28.633 -5.139 1.00 91.29 ? 2 VAL A CG1 1 ATOM 5045 C CG2 . VAL D 4 2 ? -4.560 -28.480 -5.989 1.00 94.45 ? 2 VAL A CG2 1 ATOM 5046 N N . CYS D 4 3 ? -0.353 -26.906 -7.664 1.00 91.43 ? 3 CYS A N 1 ATOM 5047 C CA . CYS D 4 3 ? 1.087 -26.975 -7.962 1.00 89.56 ? 3 CYS A CA 1 ATOM 5048 C C . CYS D 4 3 ? 1.877 -26.990 -6.662 1.00 85.41 ? 3 CYS A C 1 ATOM 5049 O O . CYS D 4 3 ? 1.497 -26.323 -5.701 1.00 85.29 ? 3 CYS A O 1 ATOM 5050 C CB . CYS D 4 3 ? 1.532 -25.749 -8.780 1.00 92.19 ? 3 CYS A CB 1 ATOM 5051 S SG . CYS D 4 3 ? 0.439 -25.281 -10.151 1.00 99.01 ? 3 CYS A SG 1 ATOM 5052 N N . HIS D 4 4 ? 2.976 -27.743 -6.634 1.00 81.25 ? 4 HIS A N 1 ATOM 5053 C CA . HIS D 4 4 ? 3.965 -27.613 -5.564 1.00 76.94 ? 4 HIS A CA 1 ATOM 5054 C C . HIS D 4 4 ? 4.721 -26.297 -5.784 1.00 75.66 ? 4 HIS A C 1 ATOM 5055 O O . HIS D 4 4 ? 4.855 -25.832 -6.929 1.00 75.23 ? 4 HIS A O 1 ATOM 5056 C CB . HIS D 4 4 ? 4.936 -28.794 -5.553 1.00 75.37 ? 4 HIS A CB 1 ATOM 5057 C CG . HIS D 4 4 ? 4.286 -30.121 -5.302 1.00 76.16 ? 4 HIS A CG 1 ATOM 5058 N ND1 . HIS D 4 4 ? 4.126 -31.070 -6.289 1.00 76.28 ? 4 HIS A ND1 1 ATOM 5059 C CD2 . HIS D 4 4 ? 3.772 -30.665 -4.174 1.00 77.73 ? 4 HIS A CD2 1 ATOM 5060 C CE1 . HIS D 4 4 ? 3.543 -32.141 -5.780 1.00 77.99 ? 4 HIS A CE1 1 ATOM 5061 N NE2 . HIS D 4 4 ? 3.313 -31.919 -4.499 1.00 78.62 ? 4 HIS A NE2 1 ATOM 5062 N N . THR D 4 5 ? 5.193 -25.693 -4.691 1.00 75.09 ? 5 THR A N 1 ATOM 5063 C CA . THR D 4 5 ? 5.954 -24.433 -4.754 1.00 74.00 ? 5 THR A CA 1 ATOM 5064 C C . THR D 4 5 ? 7.153 -24.415 -3.807 1.00 72.55 ? 5 THR A C 1 ATOM 5065 O O . THR D 4 5 ? 7.084 -24.898 -2.670 1.00 73.45 ? 5 THR A O 1 ATOM 5066 C CB . THR D 4 5 ? 5.070 -23.189 -4.479 1.00 75.53 ? 5 THR A CB 1 ATOM 5067 O OG1 . THR D 4 5 ? 5.903 -22.034 -4.294 1.00 75.55 ? 5 THR A OG1 1 ATOM 5068 C CG2 . THR D 4 5 ? 4.196 -23.377 -3.240 1.00 77.06 ? 5 THR A CG2 1 ATOM 5069 N N . THR D 4 6 ? 8.243 -23.825 -4.288 1.00 70.55 ? 6 THR A N 1 ATOM 5070 C CA . THR D 4 6 ? 9.458 -23.640 -3.493 1.00 69.47 ? 6 THR A CA 1 ATOM 5071 C C . THR D 4 6 ? 9.559 -22.209 -2.938 1.00 70.81 ? 6 THR A C 1 ATOM 5072 O O . THR D 4 6 ? 10.632 -21.767 -2.547 1.00 68.13 ? 6 THR A O 1 ATOM 5073 C CB . THR D 4 6 ? 10.702 -23.995 -4.330 1.00 66.62 ? 6 THR A CB 1 ATOM 5074 O OG1 . THR D 4 6 ? 10.641 -23.311 -5.587 1.00 65.98 ? 6 THR A OG1 1 ATOM 5075 C CG2 . THR D 4 6 ? 10.769 -25.497 -4.561 1.00 64.37 ? 6 THR A CG2 1 ATOM 5076 N N . ALA D 4 7 ? 8.436 -21.489 -2.918 1.00 75.38 ? 7 ALA A N 1 ATOM 5077 C CA . ALA D 4 7 ? 8.322 -20.238 -2.172 1.00 79.60 ? 7 ALA A CA 1 ATOM 5078 C C . ALA D 4 7 ? 8.541 -20.518 -0.689 1.00 82.76 ? 7 ALA A C 1 ATOM 5079 O O . ALA D 4 7 ? 9.370 -19.872 -0.040 1.00 84.66 ? 7 ALA A O 1 ATOM 5080 C CB . ALA D 4 7 ? 6.957 -19.607 -2.402 1.00 81.05 ? 7 ALA A CB 1 ATOM 5081 N N . THR D 4 8 ? 7.818 -21.513 -0.177 1.00 84.55 ? 8 THR A N 1 ATOM 5082 C CA . THR D 4 8 ? 7.936 -21.942 1.217 1.00 86.79 ? 8 THR A CA 1 ATOM 5083 C C . THR D 4 8 ? 9.056 -22.970 1.390 1.00 86.13 ? 8 THR A C 1 ATOM 5084 O O . THR D 4 8 ? 9.635 -23.443 0.412 1.00 80.90 ? 8 THR A O 1 ATOM 5085 C CB . THR D 4 8 ? 6.617 -22.565 1.715 1.00 87.81 ? 8 THR A CB 1 ATOM 5086 O OG1 . THR D 4 8 ? 6.371 -23.796 1.023 1.00 85.47 ? 8 THR A OG1 1 ATOM 5087 C CG2 . THR D 4 8 ? 5.440 -21.603 1.496 1.00 89.85 ? 8 THR A CG2 1 ATOM 5088 N N . SER D 4 9 ? 9.345 -23.303 2.647 1.00 91.21 ? 9 SER A N 1 ATOM 5089 C CA . SER D 4 9 ? 10.299 -24.361 2.990 1.00 92.61 ? 9 SER A CA 1 ATOM 5090 C C . SER D 4 9 ? 9.880 -24.998 4.333 1.00 96.07 ? 9 SER A C 1 ATOM 5091 O O . SER D 4 9 ? 9.903 -24.303 5.355 1.00 101.28 ? 9 SER A O 1 ATOM 5092 C CB . SER D 4 9 ? 11.719 -23.790 3.065 1.00 93.64 ? 9 SER A CB 1 ATOM 5093 O OG . SER D 4 9 ? 12.670 -24.749 2.634 1.00 93.07 ? 9 SER A OG 1 ATOM 5094 N N . PRO D 4 10 ? 9.469 -26.278 4.363 1.00 94.43 ? 10 PRO A N 1 ATOM 5095 C CA . PRO D 4 10 ? 9.372 -27.170 3.205 1.00 90.63 ? 10 PRO A CA 1 ATOM 5096 C C . PRO D 4 10 ? 8.355 -26.775 2.124 1.00 88.42 ? 10 PRO A C 1 ATOM 5097 O O . PRO D 4 10 ? 7.613 -25.798 2.260 1.00 86.55 ? 10 PRO A O 1 ATOM 5098 C CB . PRO D 4 10 ? 8.971 -28.504 3.842 1.00 92.63 ? 10 PRO A CB 1 ATOM 5099 C CG . PRO D 4 10 ? 9.623 -28.481 5.174 1.00 95.27 ? 10 PRO A CG 1 ATOM 5100 C CD . PRO D 4 10 ? 9.675 -27.040 5.611 1.00 96.69 ? 10 PRO A CD 1 ATOM 5101 N N . ILE D 4 11 ? 8.330 -27.590 1.076 1.00 86.80 ? 11 ILE A N 1 ATOM 5102 C CA . ILE D 4 11 ? 7.665 -27.286 -0.190 1.00 84.90 ? 11 ILE A CA 1 ATOM 5103 C C . ILE D 4 11 ? 6.157 -27.447 -0.015 1.00 85.80 ? 11 ILE A C 1 ATOM 5104 O O . ILE D 4 11 ? 5.675 -28.557 0.191 1.00 86.93 ? 11 ILE A O 1 ATOM 5105 C CB . ILE D 4 11 ? 8.202 -28.219 -1.319 1.00 83.34 ? 11 ILE A CB 1 ATOM 5106 C CG1 . ILE D 4 11 ? 9.636 -27.819 -1.719 1.00 82.33 ? 11 ILE A CG1 1 ATOM 5107 C CG2 . ILE D 4 11 ? 7.302 -28.224 -2.551 1.00 82.84 ? 11 ILE A CG2 1 ATOM 5108 C CD1 . ILE D 4 11 ? 10.713 -28.167 -0.706 1.00 82.23 ? 11 ILE A CD1 1 ATOM 5109 N N . SER D 4 12 ? 5.427 -26.336 -0.093 1.00 86.45 ? 12 SER A N 1 ATOM 5110 C CA . SER D 4 12 ? 3.968 -26.345 0.062 1.00 88.36 ? 12 SER A CA 1 ATOM 5111 C C . SER D 4 12 ? 3.264 -26.674 -1.250 1.00 87.55 ? 12 SER A C 1 ATOM 5112 O O . SER D 4 12 ? 3.782 -26.381 -2.328 1.00 84.45 ? 12 SER A O 1 ATOM 5113 C CB . SER D 4 12 ? 3.473 -24.994 0.582 1.00 89.87 ? 12 SER A CB 1 ATOM 5114 O OG . SER D 4 12 ? 3.981 -24.736 1.878 1.00 90.14 ? 12 SER A OG 1 ATOM 5115 N N . ALA D 4 13 ? 2.078 -27.273 -1.134 1.00 89.76 ? 13 ALA A N 1 ATOM 5116 C CA . ALA D 4 13 ? 1.256 -27.669 -2.279 1.00 90.61 ? 13 ALA A CA 1 ATOM 5117 C C . ALA D 4 13 ? 0.124 -26.657 -2.479 1.00 92.17 ? 13 ALA A C 1 ATOM 5118 O O . ALA D 4 13 ? -1.052 -26.977 -2.310 1.00 94.51 ? 13 ALA A O 1 ATOM 5119 C CB . ALA D 4 13 ? 0.707 -29.076 -2.066 1.00 91.59 ? 13 ALA A CB 1 ATOM 5120 N N . VAL D 4 14 ? 0.503 -25.435 -2.846 1.00 92.28 ? 14 VAL A N 1 ATOM 5121 C CA . VAL D 4 14 ? -0.430 -24.305 -2.965 1.00 95.25 ? 14 VAL A CA 1 ATOM 5122 C C . VAL D 4 14 ? -1.309 -24.423 -4.217 1.00 96.31 ? 14 VAL A C 1 ATOM 5123 O O . VAL D 4 14 ? -0.832 -24.827 -5.271 1.00 95.58 ? 14 VAL A O 1 ATOM 5124 C CB . VAL D 4 14 ? 0.337 -22.957 -2.969 1.00 95.52 ? 14 VAL A CB 1 ATOM 5125 C CG1 . VAL D 4 14 ? -0.569 -21.773 -3.316 1.00 97.95 ? 14 VAL A CG1 1 ATOM 5126 C CG2 . VAL D 4 14 ? 1.005 -22.741 -1.617 1.00 96.85 ? 14 VAL A CG2 1 ATOM 5127 N N . THR D 4 15 ? -2.590 -24.069 -4.088 1.00 99.01 ? 15 THR A N 1 ATOM 5128 C CA . THR D 4 15 ? -3.499 -24.004 -5.232 1.00 100.65 ? 15 THR A CA 1 ATOM 5129 C C . THR D 4 15 ? -3.015 -22.889 -6.152 1.00 101.90 ? 15 THR A C 1 ATOM 5130 O O . THR D 4 15 ? -2.849 -21.744 -5.718 1.00 102.79 ? 15 THR A O 1 ATOM 5131 C CB . THR D 4 15 ? -4.964 -23.745 -4.810 1.00 102.41 ? 15 THR A CB 1 ATOM 5132 O OG1 . THR D 4 15 ? -5.477 -24.893 -4.124 1.00 103.34 ? 15 THR A OG1 1 ATOM 5133 C CG2 . THR D 4 15 ? -5.862 -23.465 -6.016 1.00 103.38 ? 15 THR A CG2 1 ATOM 5134 N N . CYS D 4 16 ? -2.773 -23.250 -7.414 1.00 102.07 ? 16 CYS A N 1 ATOM 5135 C CA . CYS D 4 16 ? -2.296 -22.303 -8.416 1.00 102.66 ? 16 CYS A CA 1 ATOM 5136 C C . CYS D 4 16 ? -3.452 -21.337 -8.715 1.00 103.98 ? 16 CYS A C 1 ATOM 5137 O O . CYS D 4 16 ? -4.571 -21.791 -8.961 1.00 105.38 ? 16 CYS A O 1 ATOM 5138 C CB . CYS D 4 16 ? -1.766 -23.033 -9.683 1.00 102.29 ? 16 CYS A CB 1 ATOM 5139 S SG . CYS D 4 16 ? 0.044 -23.292 -9.745 1.00 103.86 ? 16 CYS A SG 1 ATOM 5140 N N . PRO D 4 17 ? -3.201 -20.009 -8.649 1.00 104.58 ? 17 PRO A N 1 ATOM 5141 C CA . PRO D 4 17 ? -4.308 -19.058 -8.762 1.00 107.32 ? 17 PRO A CA 1 ATOM 5142 C C . PRO D 4 17 ? -4.843 -18.925 -10.200 1.00 108.65 ? 17 PRO A C 1 ATOM 5143 O O . PRO D 4 17 ? -4.089 -19.168 -11.147 1.00 107.42 ? 17 PRO A O 1 ATOM 5144 C CB . PRO D 4 17 ? -3.680 -17.744 -8.296 1.00 108.75 ? 17 PRO A CB 1 ATOM 5145 C CG . PRO D 4 17 ? -2.252 -17.860 -8.691 1.00 106.68 ? 17 PRO A CG 1 ATOM 5146 C CD . PRO D 4 17 ? -1.899 -19.316 -8.579 1.00 103.84 ? 17 PRO A CD 1 ATOM 5147 N N . PRO D 4 18 ? -6.134 -18.548 -10.363 1.00 111.27 ? 18 PRO A N 1 ATOM 5148 C CA . PRO D 4 18 ? -6.726 -18.299 -11.687 1.00 113.40 ? 18 PRO A CA 1 ATOM 5149 C C . PRO D 4 18 ? -5.933 -17.339 -12.582 1.00 114.91 ? 18 PRO A C 1 ATOM 5150 O O . PRO D 4 18 ? -5.134 -16.537 -12.091 1.00 114.45 ? 18 PRO A O 1 ATOM 5151 C CB . PRO D 4 18 ? -8.097 -17.705 -11.347 1.00 116.34 ? 18 PRO A CB 1 ATOM 5152 C CG . PRO D 4 18 ? -8.456 -18.331 -10.049 1.00 114.83 ? 18 PRO A CG 1 ATOM 5153 C CD . PRO D 4 18 ? -7.161 -18.497 -9.301 1.00 112.69 ? 18 PRO A CD 1 ATOM 5154 N N . GLY D 4 19 ? -6.165 -17.440 -13.890 1.00 117.31 ? 19 GLY A N 1 ATOM 5155 C CA . GLY D 4 19 ? -5.356 -16.741 -14.894 1.00 119.25 ? 19 GLY A CA 1 ATOM 5156 C C . GLY D 4 19 ? -4.001 -17.387 -15.165 1.00 117.71 ? 19 GLY A C 1 ATOM 5157 O O . GLY D 4 19 ? -3.204 -16.842 -15.931 1.00 118.77 ? 19 GLY A O 1 ATOM 5158 N N . GLU D 4 20 ? -3.744 -18.546 -14.547 1.00 115.39 ? 20 GLU A N 1 ATOM 5159 C CA . GLU D 4 20 ? -2.471 -19.267 -14.656 1.00 113.26 ? 20 GLU A CA 1 ATOM 5160 C C . GLU D 4 20 ? -2.743 -20.775 -14.534 1.00 110.91 ? 20 GLU A C 1 ATOM 5161 O O . GLU D 4 20 ? -2.974 -21.294 -13.432 1.00 110.56 ? 20 GLU A O 1 ATOM 5162 C CB . GLU D 4 20 ? -1.487 -18.810 -13.573 1.00 112.42 ? 20 GLU A CB 1 ATOM 5163 C CG . GLU D 4 20 ? -0.947 -17.399 -13.769 1.00 114.70 ? 20 GLU A CG 1 ATOM 5164 C CD . GLU D 4 20 ? 0.197 -17.065 -12.830 1.00 113.16 ? 20 GLU A CD 1 ATOM 5165 O OE1 . GLU D 4 20 ? 0.169 -17.521 -11.664 1.00 111.29 ? 20 GLU A OE1 1 ATOM 5166 O OE2 . GLU D 4 20 ? 1.120 -16.339 -13.260 1.00 112.24 ? 20 GLU A OE2 1 ATOM 5167 N N . ASN D 4 21 ? -2.699 -21.461 -15.676 1.00 109.07 ? 21 ASN A N 1 ATOM 5168 C CA . ASN D 4 21 ? -3.182 -22.848 -15.805 1.00 105.36 ? 21 ASN A CA 1 ATOM 5169 C C . ASN D 4 21 ? -2.173 -23.944 -15.431 1.00 99.35 ? 21 ASN A C 1 ATOM 5170 O O . ASN D 4 21 ? -2.580 -25.051 -15.082 1.00 96.90 ? 21 ASN A O 1 ATOM 5171 C CB . ASN D 4 21 ? -3.724 -23.107 -17.234 1.00 108.39 ? 21 ASN A CB 1 ATOM 5172 C CG . ASN D 4 21 ? -2.695 -22.826 -18.334 1.00 109.31 ? 21 ASN A CG 1 ATOM 5173 O OD1 . ASN D 4 21 ? -2.127 -21.734 -18.402 1.00 108.61 ? 21 ASN A OD1 1 ATOM 5174 N ND2 . ASN D 4 21 ? -2.467 -23.806 -19.208 1.00 109.23 ? 21 ASN A ND2 1 ATOM 5175 N N . LEU D 4 22 ? -0.876 -23.639 -15.495 1.00 96.18 ? 22 LEU A N 1 ATOM 5176 C CA . LEU D 4 22 ? 0.174 -24.667 -15.437 1.00 93.26 ? 22 LEU A CA 1 ATOM 5177 C C . LEU D 4 22 ? 0.893 -24.760 -14.102 1.00 89.47 ? 22 LEU A C 1 ATOM 5178 O O . LEU D 4 22 ? 0.835 -23.846 -13.278 1.00 87.58 ? 22 LEU A O 1 ATOM 5179 C CB . LEU D 4 22 ? 1.224 -24.397 -16.521 1.00 93.02 ? 22 LEU A CB 1 ATOM 5180 C CG . LEU D 4 22 ? 0.728 -24.311 -17.961 1.00 94.61 ? 22 LEU A CG 1 ATOM 5181 C CD1 . LEU D 4 22 ? 1.887 -23.947 -18.872 1.00 95.54 ? 22 LEU A CD1 1 ATOM 5182 C CD2 . LEU D 4 22 ? 0.085 -25.620 -18.388 1.00 94.95 ? 22 LEU A CD2 1 ATOM 5183 N N . CYS D 4 23 ? 1.572 -25.889 -13.917 1.00 88.72 ? 23 CYS A N 1 ATOM 5184 C CA . CYS D 4 23 ? 2.575 -26.065 -12.866 1.00 88.20 ? 23 CYS A CA 1 ATOM 5185 C C . CYS D 4 23 ? 3.892 -26.427 -13.546 1.00 86.06 ? 23 CYS A C 1 ATOM 5186 O O . CYS D 4 23 ? 3.892 -26.861 -14.705 1.00 87.59 ? 23 CYS A O 1 ATOM 5187 C CB . CYS D 4 23 ? 2.151 -27.160 -11.888 1.00 89.47 ? 23 CYS A CB 1 ATOM 5188 S SG . CYS D 4 23 ? 0.455 -26.987 -11.277 1.00 94.48 ? 23 CYS A SG 1 ATOM 5189 N N . TYR D 4 24 ? 5.008 -26.248 -12.839 1.00 82.29 ? 24 TYR A N 1 ATOM 5190 C CA . TYR D 4 24 ? 6.328 -26.495 -13.422 1.00 80.36 ? 24 TYR A CA 1 ATOM 5191 C C . TYR D 4 24 ? 7.375 -26.999 -12.428 1.00 77.49 ? 24 TYR A C 1 ATOM 5192 O O . TYR D 4 24 ? 7.194 -26.930 -11.214 1.00 76.17 ? 24 TYR A O 1 ATOM 5193 C CB . TYR D 4 24 ? 6.841 -25.236 -14.146 1.00 81.60 ? 24 TYR A CB 1 ATOM 5194 C CG . TYR D 4 24 ? 7.412 -24.150 -13.255 1.00 81.80 ? 24 TYR A CG 1 ATOM 5195 C CD1 . TYR D 4 24 ? 8.767 -24.126 -12.935 1.00 81.31 ? 24 TYR A CD1 1 ATOM 5196 C CD2 . TYR D 4 24 ? 6.604 -23.133 -12.750 1.00 84.38 ? 24 TYR A CD2 1 ATOM 5197 C CE1 . TYR D 4 24 ? 9.298 -23.132 -12.123 1.00 82.43 ? 24 TYR A CE1 1 ATOM 5198 C CE2 . TYR D 4 24 ? 7.126 -22.135 -11.936 1.00 84.85 ? 24 TYR A CE2 1 ATOM 5199 C CZ . TYR D 4 24 ? 8.473 -22.138 -11.625 1.00 84.05 ? 24 TYR A CZ 1 ATOM 5200 O OH . TYR D 4 24 ? 8.993 -21.148 -10.820 1.00 84.33 ? 24 TYR A OH 1 ATOM 5201 N N . ARG D 4 25 ? 8.466 -27.516 -12.992 1.00 75.97 ? 25 ARG A N 1 ATOM 5202 C CA . ARG D 4 25 ? 9.679 -27.870 -12.265 1.00 72.63 ? 25 ARG A CA 1 ATOM 5203 C C . ARG D 4 25 ? 10.844 -27.318 -13.064 1.00 70.72 ? 25 ARG A C 1 ATOM 5204 O O . ARG D 4 25 ? 10.959 -27.615 -14.242 1.00 70.84 ? 25 ARG A O 1 ATOM 5205 C CB . ARG D 4 25 ? 9.810 -29.383 -12.157 1.00 73.47 ? 25 ARG A CB 1 ATOM 5206 C CG . ARG D 4 25 ? 11.080 -29.864 -11.467 1.00 73.01 ? 25 ARG A CG 1 ATOM 5207 C CD . ARG D 4 25 ? 11.326 -31.332 -11.753 1.00 75.32 ? 25 ARG A CD 1 ATOM 5208 N NE . ARG D 4 25 ? 10.430 -32.197 -10.993 1.00 77.23 ? 25 ARG A NE 1 ATOM 5209 C CZ . ARG D 4 25 ? 10.421 -33.528 -11.062 1.00 80.24 ? 25 ARG A CZ 1 ATOM 5210 N NH1 . ARG D 4 25 ? 11.262 -34.180 -11.864 1.00 81.88 ? 25 ARG A NH1 1 ATOM 5211 N NH2 . ARG D 4 25 ? 9.559 -34.218 -10.319 1.00 82.13 ? 25 ARG A NH2 1 ATOM 5212 N N . LYS D 4 26 ? 11.706 -26.540 -12.415 1.00 69.23 ? 26 LYS A N 1 ATOM 5213 C CA . LYS D 4 26 ? 12.847 -25.903 -13.065 1.00 68.51 ? 26 LYS A CA 1 ATOM 5214 C C . LYS D 4 26 ? 14.134 -26.267 -12.315 1.00 65.38 ? 26 LYS A C 1 ATOM 5215 O O . LYS D 4 26 ? 14.252 -26.023 -11.108 1.00 63.44 ? 26 LYS A O 1 ATOM 5216 C CB . LYS D 4 26 ? 12.634 -24.387 -13.111 1.00 70.55 ? 26 LYS A CB 1 ATOM 5217 C CG . LYS D 4 26 ? 13.468 -23.659 -14.156 1.00 74.11 ? 26 LYS A CG 1 ATOM 5218 C CD . LYS D 4 26 ? 12.963 -22.239 -14.410 1.00 77.36 ? 26 LYS A CD 1 ATOM 5219 C CE . LYS D 4 26 ? 13.463 -21.255 -13.360 1.00 78.65 ? 26 LYS A CE 1 ATOM 5220 N NZ . LYS D 4 26 ? 14.876 -20.829 -13.592 1.00 79.69 ? 26 LYS A NZ 1 ATOM 5221 N N . MET D 4 27 ? 15.088 -26.857 -13.035 1.00 64.49 ? 27 MET A N 1 ATOM 5222 C CA . MET D 4 27 ? 16.331 -27.359 -12.437 1.00 62.79 ? 27 MET A CA 1 ATOM 5223 C C . MET D 4 27 ? 17.591 -26.826 -13.122 1.00 61.99 ? 27 MET A C 1 ATOM 5224 O O . MET D 4 27 ? 17.624 -26.649 -14.337 1.00 63.14 ? 27 MET A O 1 ATOM 5225 C CB . MET D 4 27 ? 16.349 -28.879 -12.470 1.00 62.85 ? 27 MET A CB 1 ATOM 5226 C CG . MET D 4 27 ? 15.208 -29.508 -11.700 1.00 62.94 ? 27 MET A CG 1 ATOM 5227 S SD . MET D 4 27 ? 15.592 -31.217 -11.295 1.00 65.12 ? 27 MET A SD 1 ATOM 5228 C CE . MET D 4 27 ? 14.449 -31.517 -9.958 1.00 65.41 ? 27 MET A CE 1 ATOM 5229 N N . TRP D 4 28 ? 18.617 -26.555 -12.322 1.00 59.72 ? 28 TRP A N 1 ATOM 5230 C CA . TRP D 4 28 ? 19.915 -26.129 -12.839 1.00 59.74 ? 28 TRP A CA 1 ATOM 5231 C C . TRP D 4 28 ? 20.990 -26.322 -11.775 1.00 57.23 ? 28 TRP A C 1 ATOM 5232 O O . TRP D 4 28 ? 20.702 -26.322 -10.583 1.00 55.57 ? 28 TRP A O 1 ATOM 5233 C CB . TRP D 4 28 ? 19.888 -24.663 -13.333 1.00 61.26 ? 28 TRP A CB 1 ATOM 5234 C CG . TRP D 4 28 ? 19.872 -23.625 -12.240 1.00 60.98 ? 28 TRP A CG 1 ATOM 5235 C CD1 . TRP D 4 28 ? 20.938 -22.903 -11.775 1.00 60.62 ? 28 TRP A CD1 1 ATOM 5236 C CD2 . TRP D 4 28 ? 18.735 -23.201 -11.476 1.00 60.72 ? 28 TRP A CD2 1 ATOM 5237 N NE1 . TRP D 4 28 ? 20.534 -22.057 -10.769 1.00 61.11 ? 28 TRP A NE1 1 ATOM 5238 C CE2 . TRP D 4 28 ? 19.188 -22.221 -10.563 1.00 61.10 ? 28 TRP A CE2 1 ATOM 5239 C CE3 . TRP D 4 28 ? 17.380 -23.559 -11.470 1.00 60.71 ? 28 TRP A CE3 1 ATOM 5240 C CZ2 . TRP D 4 28 ? 18.331 -21.590 -9.655 1.00 61.87 ? 28 TRP A CZ2 1 ATOM 5241 C CZ3 . TRP D 4 28 ? 16.524 -22.928 -10.571 1.00 61.60 ? 28 TRP A CZ3 1 ATOM 5242 C CH2 . TRP D 4 28 ? 17.004 -21.952 -9.677 1.00 62.10 ? 28 TRP A CH2 1 ATOM 5243 N N . CYS D 4 29 ? 22.222 -26.498 -12.229 1.00 56.92 ? 29 CYS A N 1 ATOM 5244 C CA . CYS D 4 29 ? 23.365 -26.592 -11.345 1.00 55.80 ? 29 CYS A CA 1 ATOM 5245 C C . CYS D 4 29 ? 23.797 -25.204 -10.942 1.00 54.77 ? 29 CYS A C 1 ATOM 5246 O O . CYS D 4 29 ? 23.932 -24.338 -11.800 1.00 56.49 ? 29 CYS A O 1 ATOM 5247 C CB . CYS D 4 29 ? 24.536 -27.281 -12.043 1.00 57.40 ? 29 CYS A CB 1 ATOM 5248 S SG . CYS D 4 29 ? 24.432 -29.082 -12.033 1.00 61.22 ? 29 CYS A SG 1 ATOM 5249 N N . ASP D 4 30 ? 24.003 -24.997 -9.643 1.00 52.18 ? 30 ASP A N 1 ATOM 5250 C CA . ASP D 4 30 ? 24.761 -23.853 -9.153 1.00 50.82 ? 30 ASP A CA 1 ATOM 5251 C C . ASP D 4 30 ? 26.078 -24.387 -8.661 1.00 49.52 ? 30 ASP A C 1 ATOM 5252 O O . ASP D 4 30 ? 26.317 -25.581 -8.704 1.00 48.45 ? 30 ASP A O 1 ATOM 5253 C CB . ASP D 4 30 ? 23.998 -23.059 -8.072 1.00 50.65 ? 30 ASP A CB 1 ATOM 5254 C CG . ASP D 4 30 ? 23.904 -23.774 -6.719 1.00 49.68 ? 30 ASP A CG 1 ATOM 5255 O OD1 . ASP D 4 30 ? 24.506 -24.855 -6.514 1.00 48.49 ? 30 ASP A OD1 1 ATOM 5256 O OD2 . ASP D 4 30 ? 23.211 -23.223 -5.835 1.00 49.61 ? 30 ASP A OD2 1 ATOM 5257 N N . VAL D 4 31 ? 26.921 -23.489 -8.182 1.00 50.53 ? 31 VAL A N 1 ATOM 5258 C CA . VAL D 4 31 ? 28.231 -23.822 -7.628 1.00 50.66 ? 31 VAL A CA 1 ATOM 5259 C C . VAL D 4 31 ? 28.315 -25.050 -6.684 1.00 49.10 ? 31 VAL A C 1 ATOM 5260 O O . VAL D 4 31 ? 29.364 -25.676 -6.590 1.00 49.26 ? 31 VAL A O 1 ATOM 5261 C CB . VAL D 4 31 ? 28.794 -22.583 -6.901 1.00 53.26 ? 31 VAL A CB 1 ATOM 5262 C CG1 . VAL D 4 31 ? 27.954 -22.237 -5.670 1.00 53.91 ? 31 VAL A CG1 1 ATOM 5263 C CG2 . VAL D 4 31 ? 30.258 -22.774 -6.533 1.00 54.24 ? 31 VAL A CG2 1 ATOM 5264 N N . PHE D 4 32 ? 27.232 -25.385 -5.983 1.00 48.19 ? 32 PHE A N 1 ATOM 5265 C CA . PHE D 4 32 ? 27.196 -26.578 -5.113 1.00 47.27 ? 32 PHE A CA 1 ATOM 5266 C C . PHE D 4 32 ? 26.809 -27.884 -5.812 1.00 47.44 ? 32 PHE A C 1 ATOM 5267 O O . PHE D 4 32 ? 26.614 -28.901 -5.136 1.00 47.44 ? 32 PHE A O 1 ATOM 5268 C CB . PHE D 4 32 ? 26.235 -26.339 -3.943 1.00 46.44 ? 32 PHE A CB 1 ATOM 5269 C CG . PHE D 4 32 ? 26.647 -25.208 -3.063 1.00 46.86 ? 32 PHE A CG 1 ATOM 5270 C CD1 . PHE D 4 32 ? 27.710 -25.359 -2.185 1.00 47.09 ? 32 PHE A CD1 1 ATOM 5271 C CD2 . PHE D 4 32 ? 25.990 -23.984 -3.119 1.00 47.35 ? 32 PHE A CD2 1 ATOM 5272 C CE1 . PHE D 4 32 ? 28.105 -24.316 -1.369 1.00 48.37 ? 32 PHE A CE1 1 ATOM 5273 C CE2 . PHE D 4 32 ? 26.386 -22.931 -2.307 1.00 48.66 ? 32 PHE A CE2 1 ATOM 5274 C CZ . PHE D 4 32 ? 27.448 -23.097 -1.434 1.00 49.25 ? 32 PHE A CZ 1 ATOM 5275 N N . CYS D 4 33 ? 26.733 -27.889 -7.144 1.00 47.64 ? 33 CYS A N 1 ATOM 5276 C CA . CYS D 4 33 ? 26.111 -29.006 -7.844 1.00 48.81 ? 33 CYS A CA 1 ATOM 5277 C C . CYS D 4 33 ? 26.729 -30.378 -7.532 1.00 48.24 ? 33 CYS A C 1 ATOM 5278 O O . CYS D 4 33 ? 25.998 -31.342 -7.345 1.00 48.62 ? 33 CYS A O 1 ATOM 5279 C CB . CYS D 4 33 ? 26.043 -28.782 -9.367 1.00 51.06 ? 33 CYS A CB 1 ATOM 5280 S SG . CYS D 4 33 ? 24.612 -29.651 -10.051 1.00 54.20 ? 33 CYS A SG 1 ATOM 5281 N N . SER D 4 34 ? 28.053 -30.457 -7.440 1.00 47.54 ? 34 SER A N 1 ATOM 5282 C CA . SER D 4 34 ? 28.723 -31.747 -7.224 1.00 48.56 ? 34 SER A CA 1 ATOM 5283 C C . SER D 4 34 ? 28.430 -32.435 -5.862 1.00 48.76 ? 34 SER A C 1 ATOM 5284 O O . SER D 4 34 ? 28.624 -33.642 -5.738 1.00 50.55 ? 34 SER A O 1 ATOM 5285 C CB . SER D 4 34 ? 30.244 -31.634 -7.484 1.00 49.03 ? 34 SER A CB 1 ATOM 5286 O OG . SER D 4 34 ? 30.941 -30.904 -6.488 1.00 48.37 ? 34 SER A OG 1 ATOM 5287 N N . SER D 4 35 ? 27.966 -31.686 -4.859 1.00 47.66 ? 35 SER A N 1 ATOM 5288 C CA . SER D 4 35 ? 27.608 -32.257 -3.548 1.00 47.70 ? 35 SER A CA 1 ATOM 5289 C C . SER D 4 35 ? 26.095 -32.308 -3.341 1.00 46.81 ? 35 SER A C 1 ATOM 5290 O O . SER D 4 35 ? 25.544 -33.359 -3.032 1.00 48.31 ? 35 SER A O 1 ATOM 5291 C CB . SER D 4 35 ? 28.266 -31.464 -2.420 1.00 47.23 ? 35 SER A CB 1 ATOM 5292 O OG . SER D 4 35 ? 27.875 -30.108 -2.469 1.00 46.39 ? 35 SER A OG 1 ATOM 5293 N N . ARG D 4 36 ? 25.427 -31.176 -3.525 1.00 45.00 ? 36 ARG A N 1 ATOM 5294 C CA . ARG D 4 36 ? 23.981 -31.077 -3.294 1.00 44.77 ? 36 ARG A CA 1 ATOM 5295 C C . ARG D 4 36 ? 23.109 -31.457 -4.490 1.00 44.09 ? 36 ARG A C 1 ATOM 5296 O O . ARG D 4 36 ? 21.894 -31.554 -4.342 1.00 43.87 ? 36 ARG A O 1 ATOM 5297 C CB . ARG D 4 36 ? 23.618 -29.651 -2.873 1.00 44.05 ? 36 ARG A CB 1 ATOM 5298 C CG . ARG D 4 36 ? 24.360 -29.172 -1.641 1.00 44.74 ? 36 ARG A CG 1 ATOM 5299 C CD . ARG D 4 36 ? 24.014 -27.733 -1.331 1.00 44.65 ? 36 ARG A CD 1 ATOM 5300 N NE . ARG D 4 36 ? 24.937 -27.138 -0.371 1.00 45.43 ? 36 ARG A NE 1 ATOM 5301 C CZ . ARG D 4 36 ? 24.835 -25.899 0.099 1.00 46.46 ? 36 ARG A CZ 1 ATOM 5302 N NH1 . ARG D 4 36 ? 23.842 -25.097 -0.296 1.00 46.65 ? 36 ARG A NH1 1 ATOM 5303 N NH2 . ARG D 4 36 ? 25.734 -25.453 0.972 1.00 47.65 ? 36 ARG A NH2 1 ATOM 5304 N N . GLY D 4 37 ? 23.702 -31.640 -5.669 1.00 43.97 ? 37 GLY A N 1 ATOM 5305 C CA . GLY D 4 37 ? 22.918 -31.835 -6.891 1.00 45.10 ? 37 GLY A CA 1 ATOM 5306 C C . GLY D 4 37 ? 22.273 -30.543 -7.388 1.00 45.16 ? 37 GLY A C 1 ATOM 5307 O O . GLY D 4 37 ? 22.590 -29.438 -6.919 1.00 44.10 ? 37 GLY A O 1 ATOM 5308 N N . LYS D 4 38 ? 21.355 -30.686 -8.335 1.00 46.50 ? 38 LYS A N 1 ATOM 5309 C CA . LYS D 4 38 ? 20.781 -29.535 -9.022 1.00 47.14 ? 38 LYS A CA 1 ATOM 5310 C C . LYS D 4 38 ? 19.817 -28.767 -8.126 1.00 46.80 ? 38 LYS A C 1 ATOM 5311 O O . LYS D 4 38 ? 19.098 -29.360 -7.303 1.00 45.46 ? 38 LYS A O 1 ATOM 5312 C CB . LYS D 4 38 ? 20.067 -29.968 -10.306 1.00 49.79 ? 38 LYS A CB 1 ATOM 5313 C CG . LYS D 4 38 ? 20.983 -30.543 -11.380 1.00 52.12 ? 38 LYS A CG 1 ATOM 5314 C CD . LYS D 4 38 ? 20.166 -31.060 -12.554 1.00 55.07 ? 38 LYS A CD 1 ATOM 5315 C CE . LYS D 4 38 ? 21.029 -31.658 -13.659 1.00 57.74 ? 38 LYS A CE 1 ATOM 5316 N NZ . LYS D 4 38 ? 21.633 -30.615 -14.541 1.00 58.65 ? 38 LYS A NZ 1 ATOM 5317 N N . VAL D 4 39 ? 19.813 -27.444 -8.301 1.00 47.20 ? 39 VAL A N 1 ATOM 5318 C CA . VAL D 4 39 ? 18.852 -26.562 -7.635 1.00 48.25 ? 39 VAL A CA 1 ATOM 5319 C C . VAL D 4 39 ? 17.467 -26.862 -8.202 1.00 49.60 ? 39 VAL A C 1 ATOM 5320 O O . VAL D 4 39 ? 17.327 -27.086 -9.397 1.00 49.32 ? 39 VAL A O 1 ATOM 5321 C CB . VAL D 4 39 ? 19.198 -25.066 -7.830 1.00 48.37 ? 39 VAL A CB 1 ATOM 5322 C CG1 . VAL D 4 39 ? 18.086 -24.174 -7.291 1.00 49.26 ? 39 VAL A CG1 1 ATOM 5323 C CG2 . VAL D 4 39 ? 20.521 -24.726 -7.159 1.00 47.74 ? 39 VAL A CG2 1 ATOM 5324 N N . VAL D 4 40 ? 16.463 -26.882 -7.332 1.00 51.94 ? 40 VAL A N 1 ATOM 5325 C CA . VAL D 4 40 ? 15.096 -27.201 -7.717 1.00 55.22 ? 40 VAL A CA 1 ATOM 5326 C C . VAL D 4 40 ? 14.204 -25.997 -7.434 1.00 58.27 ? 40 VAL A C 1 ATOM 5327 O O . VAL D 4 40 ? 14.223 -25.461 -6.325 1.00 59.80 ? 40 VAL A O 1 ATOM 5328 C CB . VAL D 4 40 ? 14.561 -28.413 -6.931 1.00 55.81 ? 40 VAL A CB 1 ATOM 5329 C CG1 . VAL D 4 40 ? 13.155 -28.792 -7.405 1.00 57.01 ? 40 VAL A CG1 1 ATOM 5330 C CG2 . VAL D 4 40 ? 15.518 -29.588 -7.059 1.00 55.85 ? 40 VAL A CG2 1 ATOM 5331 N N . GLU D 4 41 ? 13.442 -25.575 -8.440 1.00 61.36 ? 41 GLU A N 1 ATOM 5332 C CA . GLU D 4 41 ? 12.430 -24.536 -8.284 1.00 64.11 ? 41 GLU A CA 1 ATOM 5333 C C . GLU D 4 41 ? 11.080 -25.088 -8.761 1.00 65.26 ? 41 GLU A C 1 ATOM 5334 O O . GLU D 4 41 ? 11.017 -25.775 -9.787 1.00 63.75 ? 41 GLU A O 1 ATOM 5335 C CB . GLU D 4 41 ? 12.826 -23.294 -9.081 1.00 66.50 ? 41 GLU A CB 1 ATOM 5336 C CG . GLU D 4 41 ? 11.982 -22.063 -8.790 1.00 69.68 ? 41 GLU A CG 1 ATOM 5337 C CD . GLU D 4 41 ? 12.430 -20.851 -9.591 1.00 73.15 ? 41 GLU A CD 1 ATOM 5338 O OE1 . GLU D 4 41 ? 11.786 -20.537 -10.624 1.00 75.21 ? 41 GLU A OE1 1 ATOM 5339 O OE2 . GLU D 4 41 ? 13.435 -20.215 -9.194 1.00 74.74 ? 41 GLU A OE2 1 ATOM 5340 N N . LEU D 4 42 ? 10.023 -24.797 -7.998 1.00 66.30 ? 42 LEU A N 1 ATOM 5341 C CA . LEU D 4 42 ? 8.656 -25.234 -8.299 1.00 68.17 ? 42 LEU A CA 1 ATOM 5342 C C . LEU D 4 42 ? 7.685 -24.050 -8.180 1.00 72.65 ? 42 LEU A C 1 ATOM 5343 O O . LEU D 4 42 ? 7.892 -23.160 -7.352 1.00 74.17 ? 42 LEU A O 1 ATOM 5344 C CB . LEU D 4 42 ? 8.235 -26.337 -7.330 1.00 66.72 ? 42 LEU A CB 1 ATOM 5345 C CG . LEU D 4 42 ? 9.179 -27.528 -7.122 1.00 65.46 ? 42 LEU A CG 1 ATOM 5346 C CD1 . LEU D 4 42 ? 8.674 -28.370 -5.964 1.00 66.60 ? 42 LEU A CD1 1 ATOM 5347 C CD2 . LEU D 4 42 ? 9.330 -28.383 -8.368 1.00 65.62 ? 42 LEU A CD2 1 ATOM 5348 N N . GLY D 4 43 ? 6.629 -24.037 -8.997 1.00 76.88 ? 43 GLY A N 1 ATOM 5349 C CA . GLY D 4 43 ? 5.633 -22.959 -8.937 1.00 80.39 ? 43 GLY A CA 1 ATOM 5350 C C . GLY D 4 43 ? 4.501 -23.018 -9.954 1.00 82.76 ? 43 GLY A C 1 ATOM 5351 O O . GLY D 4 43 ? 4.213 -24.073 -10.521 1.00 80.52 ? 43 GLY A O 1 ATOM 5352 N N . CYS D 4 44 ? 3.850 -21.869 -10.148 1.00 87.37 ? 44 CYS A N 1 ATOM 5353 C CA . CYS D 4 44 ? 2.815 -21.679 -11.168 1.00 92.27 ? 44 CYS A CA 1 ATOM 5354 C C . CYS D 4 44 ? 3.370 -20.928 -12.366 1.00 94.40 ? 44 CYS A C 1 ATOM 5355 O O . CYS D 4 44 ? 4.421 -20.286 -12.290 1.00 94.17 ? 44 CYS A O 1 ATOM 5356 C CB . CYS D 4 44 ? 1.649 -20.860 -10.617 1.00 97.06 ? 44 CYS A CB 1 ATOM 5357 S SG . CYS D 4 44 ? 0.866 -21.528 -9.137 1.00 100.50 ? 44 CYS A SG 1 ATOM 5358 N N . ALA D 4 45 ? 2.631 -20.993 -13.465 1.00 97.06 ? 45 ALA A N 1 ATOM 5359 C CA . ALA D 4 45 ? 3.010 -20.307 -14.692 1.00 100.07 ? 45 ALA A CA 1 ATOM 5360 C C . ALA D 4 45 ? 1.777 -19.965 -15.521 1.00 103.10 ? 45 ALA A C 1 ATOM 5361 O O . ALA D 4 45 ? 0.821 -20.740 -15.570 1.00 101.93 ? 45 ALA A O 1 ATOM 5362 C CB . ALA D 4 45 ? 3.973 -21.171 -15.496 1.00 99.23 ? 45 ALA A CB 1 ATOM 5363 N N . ALA D 4 46 ? 1.807 -18.792 -16.152 1.00 107.80 ? 46 ALA A N 1 ATOM 5364 C CA . ALA D 4 46 ? 0.817 -18.421 -17.161 1.00 111.83 ? 46 ALA A CA 1 ATOM 5365 C C . ALA D 4 46 ? 1.042 -19.281 -18.404 1.00 113.06 ? 46 ALA A C 1 ATOM 5366 O O . ALA D 4 46 ? 0.105 -19.889 -18.919 1.00 115.64 ? 46 ALA A O 1 ATOM 5367 C CB . ALA D 4 46 ? 0.924 -16.942 -17.501 1.00 114.86 ? 46 ALA A CB 1 ATOM 5368 N N . THR D 4 47 ? 2.292 -19.321 -18.870 1.00 112.31 ? 47 THR A N 1 ATOM 5369 C CA . THR D 4 47 ? 2.748 -20.290 -19.878 1.00 112.39 ? 47 THR A CA 1 ATOM 5370 C C . THR D 4 47 ? 4.060 -20.936 -19.407 1.00 109.52 ? 47 THR A C 1 ATOM 5371 O O . THR D 4 47 ? 4.737 -20.395 -18.528 1.00 107.35 ? 47 THR A O 1 ATOM 5372 C CB . THR D 4 47 ? 2.943 -19.636 -21.263 1.00 116.00 ? 47 THR A CB 1 ATOM 5373 O OG1 . THR D 4 47 ? 3.956 -18.625 -21.192 1.00 116.37 ? 47 THR A OG1 1 ATOM 5374 C CG2 . THR D 4 47 ? 1.636 -19.014 -21.756 1.00 119.41 ? 47 THR A CG2 1 ATOM 5375 N N . CYS D 4 48 ? 4.406 -22.085 -19.994 1.00 108.50 ? 48 CYS A N 1 ATOM 5376 C CA . CYS D 4 48 ? 5.591 -22.864 -19.590 1.00 106.08 ? 48 CYS A CA 1 ATOM 5377 C C . CYS D 4 48 ? 6.874 -22.034 -19.787 1.00 107.00 ? 48 CYS A C 1 ATOM 5378 O O . CYS D 4 48 ? 7.180 -21.651 -20.917 1.00 109.58 ? 48 CYS A O 1 ATOM 5379 C CB . CYS D 4 48 ? 5.672 -24.180 -20.382 1.00 106.03 ? 48 CYS A CB 1 ATOM 5380 S SG . CYS D 4 48 ? 6.853 -25.404 -19.750 1.00 102.47 ? 48 CYS A SG 1 ATOM 5381 N N . PRO D 4 49 ? 7.620 -21.748 -18.691 1.00 105.27 ? 49 PRO A N 1 ATOM 5382 C CA . PRO D 4 49 ? 8.671 -20.719 -18.753 1.00 105.32 ? 49 PRO A CA 1 ATOM 5383 C C . PRO D 4 49 ? 9.929 -21.112 -19.529 1.00 105.40 ? 49 PRO A C 1 ATOM 5384 O O . PRO D 4 49 ? 10.086 -22.269 -19.924 1.00 104.46 ? 49 PRO A O 1 ATOM 5385 C CB . PRO D 4 49 ? 8.999 -20.463 -17.278 1.00 103.11 ? 49 PRO A CB 1 ATOM 5386 C CG . PRO D 4 49 ? 8.693 -21.747 -16.600 1.00 101.08 ? 49 PRO A CG 1 ATOM 5387 C CD . PRO D 4 49 ? 7.556 -22.380 -17.356 1.00 102.13 ? 49 PRO A CD 1 ATOM 5388 N N . SER D 4 50 ? 10.808 -20.128 -19.719 1.00 107.30 ? 50 SER A N 1 ATOM 5389 C CA . SER D 4 50 ? 11.986 -20.242 -20.587 1.00 109.25 ? 50 SER A CA 1 ATOM 5390 C C . SER D 4 50 ? 13.003 -21.287 -20.116 1.00 107.35 ? 50 SER A C 1 ATOM 5391 O O . SER D 4 50 ? 13.263 -21.423 -18.917 1.00 104.25 ? 50 SER A O 1 ATOM 5392 C CB . SER D 4 50 ? 12.694 -18.885 -20.702 1.00 111.51 ? 50 SER A CB 1 ATOM 5393 O OG . SER D 4 50 ? 11.800 -17.861 -21.099 1.00 114.04 ? 50 SER A OG 1 ATOM 5394 N N . LYS D 4 51 ? 13.576 -22.005 -21.083 1.00 109.17 ? 51 LYS A N 1 ATOM 5395 C CA . LYS D 4 51 ? 14.607 -23.011 -20.842 1.00 107.71 ? 51 LYS A CA 1 ATOM 5396 C C . LYS D 4 51 ? 15.930 -22.510 -21.424 1.00 110.20 ? 51 LYS A C 1 ATOM 5397 O O . LYS D 4 51 ? 16.193 -22.657 -22.620 1.00 111.69 ? 51 LYS A O 1 ATOM 5398 C CB . LYS D 4 51 ? 14.189 -24.349 -21.474 1.00 107.70 ? 51 LYS A CB 1 ATOM 5399 C CG . LYS D 4 51 ? 14.977 -25.572 -21.005 1.00 104.49 ? 51 LYS A CG 1 ATOM 5400 C CD . LYS D 4 51 ? 16.184 -25.861 -21.884 1.00 106.00 ? 51 LYS A CD 1 ATOM 5401 C CE . LYS D 4 51 ? 16.680 -27.284 -21.708 1.00 105.02 ? 51 LYS A CE 1 ATOM 5402 N NZ . LYS D 4 51 ? 18.041 -27.451 -22.286 1.00 105.97 ? 51 LYS A NZ 1 ATOM 5403 N N . LYS D 4 52 ? 16.741 -21.886 -20.572 1.00 111.07 ? 52 LYS A N 1 ATOM 5404 C CA . LYS D 4 52 ? 18.119 -21.502 -20.925 1.00 114.29 ? 52 LYS A CA 1 ATOM 5405 C C . LYS D 4 52 ? 19.004 -22.752 -21.070 1.00 113.27 ? 52 LYS A C 1 ATOM 5406 O O . LYS D 4 52 ? 18.713 -23.773 -20.448 1.00 112.22 ? 52 LYS A O 1 ATOM 5407 C CB . LYS D 4 52 ? 18.683 -20.526 -19.879 1.00 114.46 ? 52 LYS A CB 1 ATOM 5408 C CG . LYS D 4 52 ? 18.225 -19.094 -20.117 1.00 118.81 ? 52 LYS A CG 1 ATOM 5409 C CD . LYS D 4 52 ? 17.965 -18.323 -18.836 1.00 117.85 ? 52 LYS A CD 1 ATOM 5410 C CE . LYS D 4 52 ? 17.398 -16.949 -19.155 1.00 121.49 ? 52 LYS A CE 1 ATOM 5411 N NZ . LYS D 4 52 ? 16.817 -16.302 -17.951 1.00 121.50 ? 52 LYS A NZ 1 ATOM 5412 N N . PRO D 4 53 ? 20.081 -22.681 -21.887 1.00 115.62 ? 53 PRO A N 1 ATOM 5413 C CA . PRO D 4 53 ? 20.846 -23.899 -22.231 1.00 115.10 ? 53 PRO A CA 1 ATOM 5414 C C . PRO D 4 53 ? 21.343 -24.695 -21.019 1.00 111.30 ? 53 PRO A C 1 ATOM 5415 O O . PRO D 4 53 ? 21.298 -25.929 -21.030 1.00 109.62 ? 53 PRO A O 1 ATOM 5416 C CB . PRO D 4 53 ? 22.024 -23.362 -23.060 1.00 117.67 ? 53 PRO A CB 1 ATOM 5417 C CG . PRO D 4 53 ? 22.109 -21.910 -22.736 1.00 118.37 ? 53 PRO A CG 1 ATOM 5418 C CD . PRO D 4 53 ? 20.700 -21.477 -22.473 1.00 118.61 ? 53 PRO A CD 1 ATOM 5419 N N . TYR D 4 54 ? 21.806 -23.985 -19.994 1.00 109.40 ? 54 TYR A N 1 ATOM 5420 C CA . TYR D 4 54 ? 22.157 -24.599 -18.714 1.00 106.26 ? 54 TYR A CA 1 ATOM 5421 C C . TYR D 4 54 ? 20.911 -25.090 -17.955 1.00 99.94 ? 54 TYR A C 1 ATOM 5422 O O . TYR D 4 54 ? 20.917 -26.190 -17.403 1.00 96.58 ? 54 TYR A O 1 ATOM 5423 C CB . TYR D 4 54 ? 23.025 -23.647 -17.861 1.00 109.31 ? 54 TYR A CB 1 ATOM 5424 C CG . TYR D 4 54 ? 22.322 -22.459 -17.209 1.00 112.52 ? 54 TYR A CG 1 ATOM 5425 C CD1 . TYR D 4 54 ? 22.123 -21.255 -17.902 1.00 116.40 ? 54 TYR A CD1 1 ATOM 5426 C CD2 . TYR D 4 54 ? 21.892 -22.526 -15.879 1.00 112.34 ? 54 TYR A CD2 1 ATOM 5427 C CE1 . TYR D 4 54 ? 21.494 -20.170 -17.297 1.00 118.40 ? 54 TYR A CE1 1 ATOM 5428 C CE2 . TYR D 4 54 ? 21.263 -21.447 -15.266 1.00 113.71 ? 54 TYR A CE2 1 ATOM 5429 C CZ . TYR D 4 54 ? 21.068 -20.271 -15.974 1.00 116.70 ? 54 TYR A CZ 1 ATOM 5430 O OH . TYR D 4 54 ? 20.442 -19.209 -15.360 1.00 117.91 ? 54 TYR A OH 1 ATOM 5431 N N . GLU D 4 55 ? 19.845 -24.287 -17.962 1.00 98.18 ? 55 GLU A N 1 ATOM 5432 C CA . GLU D 4 55 ? 18.583 -24.619 -17.270 1.00 94.95 ? 55 GLU A CA 1 ATOM 5433 C C . GLU D 4 55 ? 17.841 -25.815 -17.875 1.00 90.20 ? 55 GLU A C 1 ATOM 5434 O O . GLU D 4 55 ? 18.203 -26.323 -18.932 1.00 92.42 ? 55 GLU A O 1 ATOM 5435 C CB . GLU D 4 55 ? 17.643 -23.401 -17.232 1.00 98.50 ? 55 GLU A CB 1 ATOM 5436 C CG . GLU D 4 55 ? 18.170 -22.228 -16.412 1.00 101.02 ? 55 GLU A CG 1 ATOM 5437 C CD . GLU D 4 55 ? 17.128 -21.146 -16.138 1.00 103.99 ? 55 GLU A CD 1 ATOM 5438 O OE1 . GLU D 4 55 ? 15.913 -21.450 -16.088 1.00 102.81 ? 55 GLU A OE1 1 ATOM 5439 O OE2 . GLU D 4 55 ? 17.535 -19.977 -15.952 1.00 107.25 ? 55 GLU A OE2 1 ATOM 5440 N N . GLU D 4 56 ? 16.808 -26.262 -17.172 1.00 84.90 ? 56 GLU A N 1 ATOM 5441 C CA . GLU D 4 56 ? 16.006 -27.406 -17.585 1.00 83.71 ? 56 GLU A CA 1 ATOM 5442 C C . GLU D 4 56 ? 14.619 -27.307 -16.929 1.00 82.05 ? 56 GLU A C 1 ATOM 5443 O O . GLU D 4 56 ? 14.516 -27.286 -15.702 1.00 78.17 ? 56 GLU A O 1 ATOM 5444 C CB . GLU D 4 56 ? 16.719 -28.687 -17.164 1.00 81.34 ? 56 GLU A CB 1 ATOM 5445 C CG . GLU D 4 56 ? 16.068 -29.983 -17.611 1.00 82.66 ? 56 GLU A CG 1 ATOM 5446 C CD . GLU D 4 56 ? 16.541 -31.171 -16.792 1.00 82.29 ? 56 GLU A CD 1 ATOM 5447 O OE1 . GLU D 4 56 ? 17.752 -31.246 -16.472 1.00 82.21 ? 56 GLU A OE1 1 ATOM 5448 O OE2 . GLU D 4 56 ? 15.699 -32.031 -16.460 1.00 82.43 ? 56 GLU A OE2 1 ATOM 5449 N N . VAL D 4 57 ? 13.570 -27.239 -17.752 1.00 82.61 ? 57 VAL A N 1 ATOM 5450 C CA . VAL D 4 57 ? 12.199 -27.025 -17.275 1.00 82.10 ? 57 VAL A CA 1 ATOM 5451 C C . VAL D 4 57 ? 11.216 -27.996 -17.930 1.00 83.39 ? 57 VAL A C 1 ATOM 5452 O O . VAL D 4 57 ? 11.244 -28.209 -19.140 1.00 86.70 ? 57 VAL A O 1 ATOM 5453 C CB . VAL D 4 57 ? 11.729 -25.552 -17.459 1.00 83.03 ? 57 VAL A CB 1 ATOM 5454 C CG1 . VAL D 4 57 ? 12.003 -25.033 -18.861 1.00 86.05 ? 57 VAL A CG1 1 ATOM 5455 C CG2 . VAL D 4 57 ? 10.250 -25.386 -17.118 1.00 83.47 ? 57 VAL A CG2 1 ATOM 5456 N N . THR D 4 58 ? 10.352 -28.571 -17.099 1.00 82.65 ? 58 THR A N 1 ATOM 5457 C CA . THR D 4 58 ? 9.300 -29.487 -17.520 1.00 84.69 ? 58 THR A CA 1 ATOM 5458 C C . THR D 4 58 ? 7.963 -28.937 -17.005 1.00 85.09 ? 58 THR A C 1 ATOM 5459 O O . THR D 4 58 ? 7.936 -28.217 -16.001 1.00 81.86 ? 58 THR A O 1 ATOM 5460 C CB . THR D 4 58 ? 9.577 -30.899 -16.970 1.00 84.21 ? 58 THR A CB 1 ATOM 5461 O OG1 . THR D 4 58 ? 9.678 -30.855 -15.542 1.00 82.53 ? 58 THR A OG1 1 ATOM 5462 C CG2 . THR D 4 58 ? 10.893 -31.433 -17.524 1.00 84.99 ? 58 THR A CG2 1 ATOM 5463 N N . CYS D 4 59 ? 6.870 -29.255 -17.699 1.00 88.39 ? 59 CYS A N 1 ATOM 5464 C CA . CYS D 4 59 ? 5.540 -28.702 -17.377 1.00 89.92 ? 59 CYS A CA 1 ATOM 5465 C C . CYS D 4 59 ? 4.454 -29.771 -17.326 1.00 88.64 ? 59 CYS A C 1 ATOM 5466 O O . CYS D 4 59 ? 4.660 -30.890 -17.771 1.00 86.93 ? 59 CYS A O 1 ATOM 5467 C CB . CYS D 4 59 ? 5.178 -27.596 -18.376 1.00 94.79 ? 59 CYS A CB 1 ATOM 5468 S SG . CYS D 4 59 ? 6.007 -26.028 -17.999 1.00 99.80 ? 59 CYS A SG 1 ATOM 5469 N N . CYS D 4 60 ? 3.313 -29.421 -16.739 1.00 89.02 ? 60 CYS A N 1 ATOM 5470 C CA . CYS D 4 60 ? 2.149 -30.317 -16.696 1.00 92.39 ? 60 CYS A CA 1 ATOM 5471 C C . CYS D 4 60 ? 0.862 -29.590 -16.281 1.00 92.59 ? 60 CYS A C 1 ATOM 5472 O O . CYS D 4 60 ? 0.910 -28.538 -15.631 1.00 91.25 ? 60 CYS A O 1 ATOM 5473 C CB . CYS D 4 60 ? 2.411 -31.527 -15.785 1.00 92.88 ? 60 CYS A CB 1 ATOM 5474 S SG . CYS D 4 60 ? 3.065 -31.133 -14.148 1.00 91.26 ? 60 CYS A SG 1 ATOM 5475 N N . SER D 4 61 ? -0.275 -30.166 -16.677 1.00 94.59 ? 61 SER A N 1 ATOM 5476 C CA . SER D 4 61 ? -1.604 -29.574 -16.465 1.00 94.76 ? 61 SER A CA 1 ATOM 5477 C C . SER D 4 61 ? -2.536 -30.374 -15.548 1.00 95.29 ? 61 SER A C 1 ATOM 5478 O O . SER D 4 61 ? -3.686 -29.974 -15.346 1.00 96.34 ? 61 SER A O 1 ATOM 5479 C CB . SER D 4 61 ? -2.277 -29.367 -17.821 1.00 97.48 ? 61 SER A CB 1 ATOM 5480 O OG . SER D 4 61 ? -1.557 -28.419 -18.581 1.00 97.42 ? 61 SER A OG 1 ATOM 5481 N N . THR D 4 62 ? -2.057 -31.494 -15.007 1.00 96.24 ? 62 THR A N 1 ATOM 5482 C CA . THR D 4 62 ? -2.795 -32.256 -13.985 1.00 98.33 ? 62 THR A CA 1 ATOM 5483 C C . THR D 4 62 ? -2.399 -31.802 -12.569 1.00 95.88 ? 62 THR A C 1 ATOM 5484 O O . THR D 4 62 ? -1.562 -30.910 -12.414 1.00 94.05 ? 62 THR A O 1 ATOM 5485 C CB . THR D 4 62 ? -2.620 -33.787 -14.159 1.00 101.44 ? 62 THR A CB 1 ATOM 5486 O OG1 . THR D 4 62 ? -3.536 -34.469 -13.294 1.00 105.21 ? 62 THR A OG1 1 ATOM 5487 C CG2 . THR D 4 62 ? -1.205 -34.255 -13.839 1.00 100.54 ? 62 THR A CG2 1 ATOM 5488 N N . ASP D 4 63 ? -3.011 -32.398 -11.544 1.00 96.27 ? 63 ASP A N 1 ATOM 5489 C CA . ASP D 4 63 ? -2.788 -31.972 -10.153 1.00 95.10 ? 63 ASP A CA 1 ATOM 5490 C C . ASP D 4 63 ? -1.552 -32.625 -9.521 1.00 94.56 ? 63 ASP A C 1 ATOM 5491 O O . ASP D 4 63 ? -1.352 -33.835 -9.652 1.00 95.16 ? 63 ASP A O 1 ATOM 5492 C CB . ASP D 4 63 ? -4.025 -32.257 -9.282 1.00 97.05 ? 63 ASP A CB 1 ATOM 5493 C CG . ASP D 4 63 ? -5.124 -31.207 -9.448 1.00 97.70 ? 63 ASP A CG 1 ATOM 5494 O OD1 . ASP D 4 63 ? -4.833 -30.005 -9.258 1.00 94.61 ? 63 ASP A OD1 1 ATOM 5495 O OD2 . ASP D 4 63 ? -6.281 -31.586 -9.750 1.00 99.11 ? 63 ASP A OD2 1 ATOM 5496 N N . LYS D 4 64 ? -0.746 -31.800 -8.837 1.00 93.32 ? 64 LYS A N 1 ATOM 5497 C CA . LYS D 4 64 ? 0.422 -32.225 -8.029 1.00 92.11 ? 64 LYS A CA 1 ATOM 5498 C C . LYS D 4 64 ? 1.460 -33.041 -8.821 1.00 91.27 ? 64 LYS A C 1 ATOM 5499 O O . LYS D 4 64 ? 2.068 -33.993 -8.316 1.00 91.61 ? 64 LYS A O 1 ATOM 5500 C CB . LYS D 4 64 ? -0.047 -32.952 -6.755 1.00 94.55 ? 64 LYS A CB 1 ATOM 5501 C CG . LYS D 4 64 ? -0.700 -32.021 -5.735 1.00 95.21 ? 64 LYS A CG 1 ATOM 5502 C CD . LYS D 4 64 ? -1.683 -32.737 -4.819 1.00 97.58 ? 64 LYS A CD 1 ATOM 5503 C CE . LYS D 4 64 ? -0.990 -33.740 -3.912 1.00 99.36 ? 64 LYS A CE 1 ATOM 5504 N NZ . LYS D 4 64 ? -1.962 -34.363 -2.974 1.00 102.79 ? 64 LYS A NZ 1 ATOM 5505 N N . CYS D 4 65 ? 1.674 -32.612 -10.061 1.00 89.85 ? 65 CYS A N 1 ATOM 5506 C CA . CYS D 4 65 ? 2.488 -33.332 -11.033 1.00 88.98 ? 65 CYS A CA 1 ATOM 5507 C C . CYS D 4 65 ? 3.915 -32.803 -11.156 1.00 84.73 ? 65 CYS A C 1 ATOM 5508 O O . CYS D 4 65 ? 4.668 -33.300 -11.991 1.00 86.65 ? 65 CYS A O 1 ATOM 5509 C CB . CYS D 4 65 ? 1.799 -33.246 -12.390 1.00 91.93 ? 65 CYS A CB 1 ATOM 5510 S SG . CYS D 4 65 ? 1.492 -31.545 -12.927 1.00 92.41 ? 65 CYS A SG 1 ATOM 5511 N N . ASN D 4 66 ? 4.289 -31.823 -10.323 1.00 80.20 ? 66 ASN A N 1 ATOM 5512 C CA . ASN D 4 66 ? 5.626 -31.207 -10.339 1.00 75.86 ? 66 ASN A CA 1 ATOM 5513 C C . ASN D 4 66 ? 6.363 -31.373 -8.992 1.00 74.42 ? 66 ASN A C 1 ATOM 5514 O O . ASN D 4 66 ? 6.872 -30.396 -8.428 1.00 73.15 ? 66 ASN A O 1 ATOM 5515 C CB . ASN D 4 66 ? 5.511 -29.715 -10.714 1.00 73.59 ? 66 ASN A CB 1 ATOM 5516 C CG . ASN D 4 66 ? 4.790 -28.886 -9.652 1.00 71.82 ? 66 ASN A CG 1 ATOM 5517 O OD1 . ASN D 4 66 ? 3.877 -29.369 -8.987 1.00 70.43 ? 66 ASN A OD1 1 ATOM 5518 N ND2 . ASN D 4 66 ? 5.215 -27.642 -9.479 1.00 70.00 ? 66 ASN A ND2 1 ATOM 5519 N N . PRO D 4 67 ? 6.459 -32.614 -8.480 1.00 74.80 ? 67 PRO A N 1 ATOM 5520 C CA . PRO D 4 67 ? 7.055 -32.776 -7.155 1.00 74.81 ? 67 PRO A CA 1 ATOM 5521 C C . PRO D 4 67 ? 8.576 -32.626 -7.151 1.00 72.63 ? 67 PRO A C 1 ATOM 5522 O O . PRO D 4 67 ? 9.189 -32.367 -8.190 1.00 72.00 ? 67 PRO A O 1 ATOM 5523 C CB . PRO D 4 67 ? 6.695 -34.220 -6.812 1.00 77.67 ? 67 PRO A CB 1 ATOM 5524 C CG . PRO D 4 67 ? 6.814 -34.904 -8.128 1.00 78.54 ? 67 PRO A CG 1 ATOM 5525 C CD . PRO D 4 67 ? 6.213 -33.927 -9.110 1.00 77.13 ? 67 PRO A CD 1 ATOM 5526 N N . HIS D 4 68 ? 9.168 -32.803 -5.979 1.00 71.56 ? 68 HIS A N 1 ATOM 5527 C CA . HIS D 4 68 ? 10.602 -33.003 -5.874 1.00 71.38 ? 68 HIS A CA 1 ATOM 5528 C C . HIS D 4 68 ? 10.903 -34.371 -6.517 1.00 74.77 ? 68 HIS A C 1 ATOM 5529 O O . HIS D 4 68 ? 10.176 -35.333 -6.252 1.00 76.86 ? 68 HIS A O 1 ATOM 5530 C CB . HIS D 4 68 ? 11.028 -32.976 -4.404 1.00 69.96 ? 68 HIS A CB 1 ATOM 5531 C CG . HIS D 4 68 ? 12.498 -32.821 -4.202 1.00 66.91 ? 68 HIS A CG 1 ATOM 5532 N ND1 . HIS D 4 68 ? 13.345 -33.896 -4.059 1.00 67.23 ? 68 HIS A ND1 1 ATOM 5533 C CD2 . HIS D 4 68 ? 13.275 -31.717 -4.126 1.00 64.55 ? 68 HIS A CD2 1 ATOM 5534 C CE1 . HIS D 4 68 ? 14.580 -33.464 -3.892 1.00 65.43 ? 68 HIS A CE1 1 ATOM 5535 N NE2 . HIS D 4 68 ? 14.566 -32.145 -3.930 1.00 64.49 ? 68 HIS A NE2 1 ATOM 5536 N N . PRO D 4 69 ? 11.959 -34.468 -7.359 1.00 75.93 ? 69 PRO A N 1 ATOM 5537 C CA . PRO D 4 69 ? 12.211 -35.695 -8.134 1.00 78.18 ? 69 PRO A CA 1 ATOM 5538 C C . PRO D 4 69 ? 12.368 -36.973 -7.299 1.00 81.26 ? 69 PRO A C 1 ATOM 5539 O O . PRO D 4 69 ? 12.021 -38.056 -7.779 1.00 87.94 ? 69 PRO A O 1 ATOM 5540 C CB . PRO D 4 69 ? 13.514 -35.378 -8.871 1.00 77.06 ? 69 PRO A CB 1 ATOM 5541 C CG . PRO D 4 69 ? 14.185 -34.377 -8.004 1.00 74.96 ? 69 PRO A CG 1 ATOM 5542 C CD . PRO D 4 69 ? 13.058 -33.504 -7.544 1.00 73.90 ? 69 PRO A CD 1 ATOM 5543 N N . LYS D 4 70 ? 12.864 -36.845 -6.070 1.00 79.16 ? 70 LYS A N 1 ATOM 5544 C CA . LYS D 4 70 ? 12.932 -37.969 -5.133 1.00 81.60 ? 70 LYS A CA 1 ATOM 5545 C C . LYS D 4 70 ? 11.608 -38.306 -4.415 1.00 84.47 ? 70 LYS A C 1 ATOM 5546 O O . LYS D 4 70 ? 11.604 -39.169 -3.537 1.00 86.55 ? 70 LYS A O 1 ATOM 5547 C CB . LYS D 4 70 ? 14.038 -37.717 -4.099 1.00 80.28 ? 70 LYS A CB 1 ATOM 5548 C CG . LYS D 4 70 ? 15.416 -37.649 -4.722 1.00 78.38 ? 70 LYS A CG 1 ATOM 5549 C CD . LYS D 4 70 ? 16.503 -37.581 -3.672 1.00 77.97 ? 70 LYS A CD 1 ATOM 5550 C CE . LYS D 4 70 ? 17.869 -37.757 -4.311 1.00 77.58 ? 70 LYS A CE 1 ATOM 5551 N NZ . LYS D 4 70 ? 18.982 -37.767 -3.320 1.00 78.00 ? 70 LYS A NZ 1 ATOM 5552 N N . GLN D 4 71 ? 10.502 -37.646 -4.782 1.00 85.56 ? 71 GLN A N 1 ATOM 5553 C CA . GLN D 4 71 ? 9.164 -37.932 -4.225 1.00 89.24 ? 71 GLN A CA 1 ATOM 5554 C C . GLN D 4 71 ? 8.126 -38.200 -5.323 1.00 91.39 ? 71 GLN A C 1 ATOM 5555 O O . GLN D 4 71 ? 8.309 -37.801 -6.474 1.00 89.79 ? 71 GLN A O 1 ATOM 5556 C CB . GLN D 4 71 ? 8.703 -36.771 -3.342 1.00 87.37 ? 71 GLN A CB 1 ATOM 5557 C CG . GLN D 4 71 ? 9.675 -36.446 -2.217 1.00 86.45 ? 71 GLN A CG 1 ATOM 5558 C CD . GLN D 4 71 ? 9.138 -35.425 -1.236 1.00 85.37 ? 71 GLN A CD 1 ATOM 5559 O OE1 . GLN D 4 71 ? 8.241 -34.642 -1.553 1.00 83.03 ? 71 GLN A OE1 1 ATOM 5560 N NE2 . GLN D 4 71 ? 9.694 -35.426 -0.030 1.00 86.25 ? 71 GLN A NE2 1 ATOM 5561 N N . ARG D 4 72 ? 7.036 -38.870 -4.948 1.00 96.21 ? 72 ARG A N 1 ATOM 5562 C CA . ARG D 4 72 ? 6.019 -39.334 -5.905 1.00 99.89 ? 72 ARG A CA 1 ATOM 5563 C C . ARG D 4 72 ? 5.127 -38.187 -6.422 1.00 99.58 ? 72 ARG A C 1 ATOM 5564 O O . ARG D 4 72 ? 4.589 -37.423 -5.615 1.00 99.20 ? 72 ARG A O 1 ATOM 5565 C CB . ARG D 4 72 ? 5.138 -40.413 -5.262 1.00 102.91 ? 72 ARG A CB 1 ATOM 5566 N N . PRO D 4 73 ? 4.967 -38.058 -7.764 1.00 100.54 ? 73 PRO A N 1 ATOM 5567 C CA . PRO D 4 73 ? 3.978 -37.113 -8.328 1.00 99.98 ? 73 PRO A CA 1 ATOM 5568 C C . PRO D 4 73 ? 2.510 -37.475 -8.049 1.00 103.48 ? 73 PRO A C 1 ATOM 5569 O O . PRO D 4 73 ? 2.224 -38.342 -7.218 1.00 106.02 ? 73 PRO A O 1 ATOM 5570 C CB . PRO D 4 73 ? 4.261 -37.153 -9.842 1.00 99.80 ? 73 PRO A CB 1 ATOM 5571 C CG . PRO D 4 73 ? 5.629 -37.711 -9.989 1.00 99.90 ? 73 PRO A CG 1 ATOM 5572 C CD . PRO D 4 73 ? 5.864 -38.599 -8.806 1.00 101.26 ? 73 PRO A CD 1 ATOM 5573 N N . GLY D 4 74 ? 1.592 -36.790 -8.731 1.00 104.36 ? 74 GLY A N 1 ATOM 5574 C CA . GLY D 4 74 ? 0.160 -37.091 -8.651 1.00 107.74 ? 74 GLY A CA 1 ATOM 5575 C C . GLY D 4 74 ? -0.514 -36.481 -7.434 1.00 108.42 ? 74 GLY A C 1 ATOM 5576 O O . GLY D 4 74 ? 0.134 -36.139 -6.442 1.00 107.53 ? 74 GLY A O 1 ATOM 5577 O OXT . GLY D 4 74 ? -1.737 -36.314 -7.407 1.00 110.12 ? 74 GLY A OXT 1 HETATM 5578 C C1 . NAG E 5 . ? 19.200 -7.350 -10.068 1.00 43.57 ? 301 NAG B C1 1 HETATM 5579 C C2 . NAG E 5 . ? 17.695 -7.191 -10.185 1.00 43.44 ? 301 NAG B C2 1 HETATM 5580 C C3 . NAG E 5 . ? 17.056 -7.733 -8.914 1.00 44.26 ? 301 NAG B C3 1 HETATM 5581 C C4 . NAG E 5 . ? 17.448 -9.197 -8.695 1.00 44.53 ? 301 NAG B C4 1 HETATM 5582 C C5 . NAG E 5 . ? 18.973 -9.290 -8.727 1.00 44.38 ? 301 NAG B C5 1 HETATM 5583 C C6 . NAG E 5 . ? 19.508 -10.703 -8.649 1.00 44.97 ? 301 NAG B C6 1 HETATM 5584 C C7 . NAG E 5 . ? 17.104 -5.217 -11.511 1.00 43.21 ? 301 NAG B C7 1 HETATM 5585 C C8 . NAG E 5 . ? 16.771 -3.755 -11.425 1.00 43.09 ? 301 NAG B C8 1 HETATM 5586 N N2 . NAG E 5 . ? 17.360 -5.790 -10.334 1.00 43.04 ? 301 NAG B N2 1 HETATM 5587 O O3 . NAG E 5 . ? 15.643 -7.507 -8.974 1.00 44.40 ? 301 NAG B O3 1 HETATM 5588 O O4 . NAG E 5 . ? 17.055 -9.673 -7.401 1.00 45.72 ? 301 NAG B O4 1 HETATM 5589 O O5 . NAG E 5 . ? 19.478 -8.739 -9.938 1.00 43.91 ? 301 NAG B O5 1 HETATM 5590 O O6 . NAG E 5 . ? 18.975 -11.443 -9.756 1.00 47.01 ? 301 NAG B O6 1 HETATM 5591 O O7 . NAG E 5 . ? 17.129 -5.815 -12.590 1.00 42.97 ? 301 NAG B O7 1 HETATM 5592 C C1 . NAG F 5 . ? 15.675 -10.030 -7.234 1.00 46.90 ? 302 NAG B C1 1 HETATM 5593 C C2 . NAG F 5 . ? 15.579 -11.099 -6.146 1.00 47.70 ? 302 NAG B C2 1 HETATM 5594 C C3 . NAG F 5 . ? 14.133 -11.438 -5.788 1.00 49.58 ? 302 NAG B C3 1 HETATM 5595 C C4 . NAG F 5 . ? 13.343 -10.167 -5.494 1.00 51.32 ? 302 NAG B C4 1 HETATM 5596 C C5 . NAG F 5 . ? 13.566 -9.092 -6.547 1.00 49.86 ? 302 NAG B C5 1 HETATM 5597 C C6 . NAG F 5 . ? 12.974 -7.765 -6.101 1.00 49.05 ? 302 NAG B C6 1 HETATM 5598 C C7 . NAG F 5 . ? 17.520 -12.594 -6.141 1.00 46.06 ? 302 NAG B C7 1 HETATM 5599 C C8 . NAG F 5 . ? 18.113 -13.857 -6.679 1.00 46.03 ? 302 NAG B C8 1 HETATM 5600 N N2 . NAG F 5 . ? 16.292 -12.296 -6.563 1.00 46.79 ? 302 NAG B N2 1 HETATM 5601 O O3 . NAG F 5 . ? 14.118 -12.286 -4.632 1.00 48.05 ? 302 NAG B O3 1 HETATM 5602 O O4 . NAG F 5 . ? 11.946 -10.456 -5.515 1.00 57.25 ? 302 NAG B O4 1 HETATM 5603 O O5 . NAG F 5 . ? 14.948 -8.882 -6.832 1.00 47.84 ? 302 NAG B O5 1 HETATM 5604 O O6 . NAG F 5 . ? 12.526 -7.096 -7.275 1.00 48.80 ? 302 NAG B O6 1 HETATM 5605 O O7 . NAG F 5 . ? 18.150 -11.889 -5.371 1.00 46.20 ? 302 NAG B O7 1 HETATM 5606 C C1 . BMA G 6 . ? 11.371 -10.406 -4.206 1.00 64.54 ? 303 BMA B C1 1 HETATM 5607 C C2 . BMA G 6 . ? 9.864 -10.504 -4.354 1.00 69.14 ? 303 BMA B C2 1 HETATM 5608 C C3 . BMA G 6 . ? 9.180 -10.434 -2.991 1.00 73.91 ? 303 BMA B C3 1 HETATM 5609 C C4 . BMA G 6 . ? 9.814 -11.413 -1.996 1.00 73.25 ? 303 BMA B C4 1 HETATM 5610 C C5 . BMA G 6 . ? 11.345 -11.424 -2.057 1.00 71.24 ? 303 BMA B C5 1 HETATM 5611 C C6 . BMA G 6 . ? 11.938 -12.605 -1.293 1.00 72.43 ? 303 BMA B C6 1 HETATM 5612 O O2 . BMA G 6 . ? 9.540 -11.729 -5.020 1.00 69.49 ? 303 BMA B O2 1 HETATM 5613 O O3 . BMA G 6 . ? 7.787 -10.757 -3.150 1.00 81.61 ? 303 BMA B O3 1 HETATM 5614 O O4 . BMA G 6 . ? 9.418 -11.057 -0.664 1.00 74.22 ? 303 BMA B O4 1 HETATM 5615 O O5 . BMA G 6 . ? 11.834 -11.477 -3.397 1.00 66.76 ? 303 BMA B O5 1 HETATM 5616 O O6 . BMA G 6 . ? 11.628 -13.823 -1.983 1.00 73.86 ? 303 BMA B O6 1 HETATM 5617 C C1 . MAN H 7 . ? 6.919 -9.605 -3.246 1.00 90.15 ? 304 MAN B C1 1 HETATM 5618 C C2 . MAN H 7 . ? 5.474 -10.064 -3.098 1.00 94.37 ? 304 MAN B C2 1 HETATM 5619 C C3 . MAN H 7 . ? 5.138 -11.004 -4.254 1.00 93.77 ? 304 MAN B C3 1 HETATM 5620 C C4 . MAN H 7 . ? 5.322 -10.300 -5.598 1.00 93.17 ? 304 MAN B C4 1 HETATM 5621 C C5 . MAN H 7 . ? 6.613 -9.465 -5.699 1.00 93.10 ? 304 MAN B C5 1 HETATM 5622 C C6 . MAN H 7 . ? 6.463 -8.334 -6.724 1.00 93.24 ? 304 MAN B C6 1 HETATM 5623 O O2 . MAN H 7 . ? 4.579 -8.938 -3.137 1.00 102.55 ? 304 MAN B O2 1 HETATM 5624 O O3 . MAN H 7 . ? 3.791 -11.472 -4.145 1.00 93.53 ? 304 MAN B O3 1 HETATM 5625 O O4 . MAN H 7 . ? 5.323 -11.305 -6.619 1.00 91.29 ? 304 MAN B O4 1 HETATM 5626 O O5 . MAN H 7 . ? 7.021 -8.847 -4.463 1.00 91.73 ? 304 MAN B O5 1 HETATM 5627 O O6 . MAN H 7 . ? 6.173 -8.837 -8.035 1.00 92.70 ? 304 MAN B O6 1 HETATM 5628 C C1 . MAN I 7 . ? 4.580 -8.119 -1.942 1.00 111.04 ? 305 MAN B C1 1 HETATM 5629 C C2 . MAN I 7 . ? 3.216 -8.207 -1.257 1.00 115.17 ? 305 MAN B C2 1 HETATM 5630 C C3 . MAN I 7 . ? 2.149 -7.480 -2.081 1.00 115.11 ? 305 MAN B C3 1 HETATM 5631 C C4 . MAN I 7 . ? 2.589 -6.049 -2.406 1.00 115.12 ? 305 MAN B C4 1 HETATM 5632 C C5 . MAN I 7 . ? 3.977 -6.049 -3.054 1.00 114.35 ? 305 MAN B C5 1 HETATM 5633 C C6 . MAN I 7 . ? 4.478 -4.629 -3.317 1.00 113.22 ? 305 MAN B C6 1 HETATM 5634 O O2 . MAN I 7 . ? 3.292 -7.606 0.051 1.00 121.55 ? 305 MAN B O2 1 HETATM 5635 O O3 . MAN I 7 . ? 0.903 -7.474 -1.370 1.00 113.99 ? 305 MAN B O3 1 HETATM 5636 O O4 . MAN I 7 . ? 1.648 -5.422 -3.288 1.00 115.06 ? 305 MAN B O4 1 HETATM 5637 O O5 . MAN I 7 . ? 4.914 -6.749 -2.216 1.00 113.16 ? 305 MAN B O5 1 HETATM 5638 O O6 . MAN I 7 . ? 4.226 -4.270 -4.680 1.00 111.22 ? 305 MAN B O6 1 HETATM 5639 C C1 . MAN J 7 . ? 3.624 -8.518 1.126 1.00 124.89 ? 306 MAN B C1 1 HETATM 5640 C C2 . MAN J 7 . ? 3.020 -7.957 2.417 1.00 126.07 ? 306 MAN B C2 1 HETATM 5641 C C3 . MAN J 7 . ? 3.819 -6.758 2.930 1.00 126.43 ? 306 MAN B C3 1 HETATM 5642 C C4 . MAN J 7 . ? 5.307 -7.094 3.016 1.00 126.47 ? 306 MAN B C4 1 HETATM 5643 C C5 . MAN J 7 . ? 5.796 -7.581 1.648 1.00 125.63 ? 306 MAN B C5 1 HETATM 5644 C C6 . MAN J 7 . ? 7.286 -7.926 1.621 1.00 124.64 ? 306 MAN B C6 1 HETATM 5645 O O2 . MAN J 7 . ? 2.970 -8.988 3.413 1.00 125.27 ? 306 MAN B O2 1 HETATM 5646 O O3 . MAN J 7 . ? 3.324 -6.351 4.212 1.00 126.36 ? 306 MAN B O3 1 HETATM 5647 O O4 . MAN J 7 . ? 6.034 -5.940 3.456 1.00 126.89 ? 306 MAN B O4 1 HETATM 5648 O O5 . MAN J 7 . ? 5.035 -8.741 1.282 1.00 125.18 ? 306 MAN B O5 1 HETATM 5649 O O6 . MAN J 7 . ? 7.743 -8.010 0.264 1.00 122.57 ? 306 MAN B O6 1 HETATM 5650 C C1 . MAN K 7 . ? 11.969 -14.984 -1.204 1.00 76.43 ? 307 MAN B C1 1 HETATM 5651 C C2 . MAN K 7 . ? 11.781 -16.197 -2.093 1.00 78.52 ? 307 MAN B C2 1 HETATM 5652 C C3 . MAN K 7 . ? 10.304 -16.348 -2.432 1.00 80.26 ? 307 MAN B C3 1 HETATM 5653 C C4 . MAN K 7 . ? 9.491 -16.477 -1.141 1.00 79.70 ? 307 MAN B C4 1 HETATM 5654 C C5 . MAN K 7 . ? 9.790 -15.311 -0.191 1.00 78.84 ? 307 MAN B C5 1 HETATM 5655 C C6 . MAN K 7 . ? 9.133 -15.465 1.180 1.00 79.43 ? 307 MAN B C6 1 HETATM 5656 O O2 . MAN K 7 . ? 12.295 -17.358 -1.418 1.00 78.21 ? 307 MAN B O2 1 HETATM 5657 O O3 . MAN K 7 . ? 10.149 -17.475 -3.313 1.00 84.51 ? 307 MAN B O3 1 HETATM 5658 O O4 . MAN K 7 . ? 8.096 -16.496 -1.453 1.00 79.19 ? 307 MAN B O4 1 HETATM 5659 O O5 . MAN K 7 . ? 11.202 -15.169 -0.004 1.00 77.40 ? 307 MAN B O5 1 HETATM 5660 O O6 . MAN K 7 . ? 9.715 -16.571 1.888 1.00 81.84 ? 307 MAN B O6 1 HETATM 5661 C C1 . MAN L 7 . ? 9.487 -16.499 3.315 1.00 84.38 ? 308 MAN B C1 1 HETATM 5662 C C2 . MAN L 7 . ? 10.319 -17.582 4.013 1.00 85.27 ? 308 MAN B C2 1 HETATM 5663 C C3 . MAN L 7 . ? 9.663 -18.963 3.928 1.00 85.99 ? 308 MAN B C3 1 HETATM 5664 C C4 . MAN L 7 . ? 8.205 -18.886 4.366 1.00 86.53 ? 308 MAN B C4 1 HETATM 5665 C C5 . MAN L 7 . ? 7.495 -17.867 3.483 1.00 86.47 ? 308 MAN B C5 1 HETATM 5666 C C6 . MAN L 7 . ? 6.004 -17.766 3.783 1.00 87.78 ? 308 MAN B C6 1 HETATM 5667 O O2 . MAN L 7 . ? 10.520 -17.214 5.387 1.00 86.07 ? 308 MAN B O2 1 HETATM 5668 O O3 . MAN L 7 . ? 10.372 -19.915 4.733 1.00 85.55 ? 308 MAN B O3 1 HETATM 5669 O O4 . MAN L 7 . ? 7.595 -20.179 4.268 1.00 88.25 ? 308 MAN B O4 1 HETATM 5670 O O5 . MAN L 7 . ? 8.102 -16.588 3.687 1.00 85.14 ? 308 MAN B O5 1 HETATM 5671 O O6 . MAN L 7 . ? 5.405 -16.836 2.873 1.00 88.04 ? 308 MAN B O6 1 HETATM 5672 C C1 . MAN M 7 . ? 9.878 -17.078 -4.681 1.00 89.21 ? 309 MAN B C1 1 HETATM 5673 C C2 . MAN M 7 . ? 9.371 -18.261 -5.496 1.00 90.76 ? 309 MAN B C2 1 HETATM 5674 C C3 . MAN M 7 . ? 10.473 -19.297 -5.676 1.00 91.85 ? 309 MAN B C3 1 HETATM 5675 C C4 . MAN M 7 . ? 11.696 -18.670 -6.345 1.00 92.01 ? 309 MAN B C4 1 HETATM 5676 C C5 . MAN M 7 . ? 12.111 -17.349 -5.686 1.00 92.24 ? 309 MAN B C5 1 HETATM 5677 C C6 . MAN M 7 . ? 13.044 -16.579 -6.618 1.00 91.68 ? 309 MAN B C6 1 HETATM 5678 O O2 . MAN M 7 . ? 8.939 -17.776 -6.776 1.00 92.03 ? 309 MAN B O2 1 HETATM 5679 O O3 . MAN M 7 . ? 9.984 -20.398 -6.453 1.00 92.22 ? 309 MAN B O3 1 HETATM 5680 O O4 . MAN M 7 . ? 12.792 -19.594 -6.271 1.00 91.80 ? 309 MAN B O4 1 HETATM 5681 O O5 . MAN M 7 . ? 11.000 -16.494 -5.362 1.00 91.59 ? 309 MAN B O5 1 HETATM 5682 O O6 . MAN M 7 . ? 13.511 -15.388 -5.977 1.00 91.11 ? 309 MAN B O6 1 HETATM 5683 O O . HOH N 8 . ? 44.250 -18.174 7.598 1.00 24.04 ? 401 HOH B O 1 HETATM 5684 O O . HOH N 8 . ? 39.605 -0.565 -1.644 1.00 32.54 ? 402 HOH B O 1 HETATM 5685 O O . HOH N 8 . ? 31.442 -9.321 19.393 1.00 23.66 ? 403 HOH B O 1 HETATM 5686 O O . HOH N 8 . ? 30.537 0.091 3.346 1.00 37.71 ? 404 HOH B O 1 HETATM 5687 O O . HOH N 8 . ? 24.479 1.744 3.609 1.00 42.02 ? 405 HOH B O 1 HETATM 5688 O O . HOH N 8 . ? 35.371 -23.429 25.663 1.00 27.95 ? 406 HOH B O 1 HETATM 5689 O O . HOH N 8 . ? 24.042 -16.786 17.849 1.00 37.71 ? 407 HOH B O 1 HETATM 5690 O O . HOH N 8 . ? 31.905 -7.924 -7.646 1.00 56.38 ? 408 HOH B O 1 HETATM 5691 O O . HOH N 8 . ? 35.260 -20.546 8.070 1.00 43.58 ? 409 HOH B O 1 HETATM 5692 O O . HOH N 8 . ? 41.441 -23.633 18.775 1.00 35.57 ? 410 HOH B O 1 HETATM 5693 O O . HOH N 8 . ? 36.609 4.633 -5.670 1.00 39.09 ? 411 HOH B O 1 HETATM 5694 O O . HOH N 8 . ? 33.831 2.501 -5.834 1.00 23.43 ? 412 HOH B O 1 HETATM 5695 O O . HOH N 8 . ? 38.179 -24.998 27.973 1.00 33.50 ? 413 HOH B O 1 HETATM 5696 O O . HOH N 8 . ? 25.452 -8.643 30.022 1.00 39.60 ? 414 HOH B O 1 HETATM 5697 O O . HOH N 8 . ? 42.947 -14.645 12.340 1.00 39.65 ? 415 HOH B O 1 HETATM 5698 O O . HOH N 8 . ? 32.277 -19.797 17.285 1.00 24.12 ? 416 HOH B O 1 HETATM 5699 O O . HOH N 8 . ? 23.522 -20.374 4.389 1.00 30.27 ? 417 HOH B O 1 HETATM 5700 O O . HOH N 8 . ? 21.899 -22.023 -1.564 1.00 33.88 ? 418 HOH B O 1 HETATM 5701 O O . HOH N 8 . ? 19.121 -9.344 -4.594 1.00 34.47 ? 419 HOH B O 1 HETATM 5702 O O . HOH N 8 . ? 21.943 -31.630 4.733 1.00 54.41 ? 420 HOH B O 1 HETATM 5703 O O . HOH N 8 . ? 32.658 -27.428 11.667 1.00 55.32 ? 421 HOH B O 1 HETATM 5704 O O . HOH N 8 . ? 16.090 -34.218 2.763 1.00 45.95 ? 422 HOH B O 1 HETATM 5705 O O . HOH N 8 . ? 42.645 -14.091 36.492 1.00 33.14 ? 423 HOH B O 1 HETATM 5706 O O . HOH N 8 . ? 39.787 -8.519 -11.537 1.00 39.10 ? 424 HOH B O 1 HETATM 5707 O O . HOH N 8 . ? 26.277 -8.887 11.067 1.00 34.99 ? 425 HOH B O 1 HETATM 5708 O O . HOH N 8 . ? 21.459 -10.484 -11.376 1.00 47.11 ? 426 HOH B O 1 HETATM 5709 O O . HOH N 8 . ? 24.027 -10.339 -11.690 1.00 37.14 ? 427 HOH B O 1 HETATM 5710 O O . HOH N 8 . ? 33.524 -16.172 6.029 1.00 34.73 ? 428 HOH B O 1 HETATM 5711 O O . HOH N 8 . ? 19.986 -30.831 14.291 1.00 48.02 ? 429 HOH B O 1 HETATM 5712 O O . HOH N 8 . ? 3.533 -10.150 -8.903 1.00 65.24 ? 430 HOH B O 1 HETATM 5713 O O . HOH N 8 . ? 31.931 4.272 9.873 1.00 52.26 ? 431 HOH B O 1 HETATM 5714 O O . HOH N 8 . ? 39.166 -5.472 7.268 1.00 63.89 ? 432 HOH B O 1 HETATM 5715 O O . HOH N 8 . ? 23.942 -2.651 8.039 1.00 55.41 ? 433 HOH B O 1 HETATM 5716 O O . HOH N 8 . ? 27.415 -26.997 24.761 1.00 53.37 ? 434 HOH B O 1 HETATM 5717 O O . HOH N 8 . ? 34.489 -24.736 11.412 1.00 36.40 ? 435 HOH B O 1 HETATM 5718 O O . HOH N 8 . ? 15.377 -36.755 2.454 1.00 63.93 ? 436 HOH B O 1 HETATM 5719 O O . HOH N 8 . ? 41.672 -5.920 8.512 1.00 42.14 ? 437 HOH B O 1 HETATM 5720 O O . HOH O 8 . ? 14.844 -26.919 72.221 1.00 47.62 ? 301 HOH C O 1 HETATM 5721 O O . HOH O 8 . ? 12.363 -31.324 44.702 1.00 48.61 ? 302 HOH C O 1 HETATM 5722 O O . HOH O 8 . ? 15.201 -18.795 67.409 1.00 46.81 ? 303 HOH C O 1 HETATM 5723 O O . HOH O 8 . ? 19.333 -31.454 54.613 1.00 49.57 ? 304 HOH C O 1 HETATM 5724 O O . HOH O 8 . ? 31.907 -6.203 92.461 1.00 58.32 ? 305 HOH C O 1 HETATM 5725 O O . HOH O 8 . ? 14.619 -18.363 48.399 1.00 39.93 ? 306 HOH C O 1 HETATM 5726 O O . HOH O 8 . ? 20.729 -15.807 79.294 1.00 45.26 ? 307 HOH C O 1 HETATM 5727 O O . HOH O 8 . ? 28.162 -24.522 36.392 1.00 28.41 ? 308 HOH C O 1 HETATM 5728 O O . HOH O 8 . ? 17.524 -23.277 40.529 1.00 25.01 ? 309 HOH C O 1 HETATM 5729 O O . HOH O 8 . ? 20.947 -33.503 38.629 1.00 44.50 ? 310 HOH C O 1 HETATM 5730 O O . HOH O 8 . ? 15.216 -26.692 82.083 1.00 67.88 ? 311 HOH C O 1 HETATM 5731 O O . HOH O 8 . ? 2.557 -33.657 52.702 1.00 49.66 ? 312 HOH C O 1 HETATM 5732 O O . HOH O 8 . ? 1.138 -28.854 78.699 1.00 46.23 ? 313 HOH C O 1 HETATM 5733 O O . HOH O 8 . ? 34.259 -6.245 94.125 1.00 55.88 ? 314 HOH C O 1 HETATM 5734 O O . HOH O 8 . ? 9.675 -32.483 64.715 1.00 58.03 ? 315 HOH C O 1 HETATM 5735 O O . HOH O 8 . ? 8.730 -26.993 85.115 1.00 55.49 ? 316 HOH C O 1 HETATM 5736 O O . HOH O 8 . ? 21.102 -5.142 30.575 1.00 35.91 ? 317 HOH C O 1 HETATM 5737 O O . HOH O 8 . ? 8.693 -13.445 54.228 1.00 43.35 ? 318 HOH C O 1 HETATM 5738 O O . HOH O 8 . ? 19.040 -27.275 32.345 1.00 55.40 ? 319 HOH C O 1 HETATM 5739 O O . HOH O 8 . ? 20.374 -23.811 62.163 1.00 44.72 ? 320 HOH C O 1 HETATM 5740 O O . HOH O 8 . ? 6.507 -23.510 50.185 1.00 35.65 ? 321 HOH C O 1 HETATM 5741 O O . HOH O 8 . ? 26.151 -10.086 47.026 1.00 44.71 ? 322 HOH C O 1 HETATM 5742 O O . HOH O 8 . ? 26.650 -25.943 66.112 1.00 52.35 ? 323 HOH C O 1 HETATM 5743 O O . HOH P 8 . ? 34.724 -16.660 34.216 1.00 31.55 ? 301 HOH D O 1 HETATM 5744 O O . HOH P 8 . ? 37.227 -22.668 61.215 1.00 47.82 ? 302 HOH D O 1 HETATM 5745 O O . HOH P 8 . ? 34.740 -3.202 54.387 1.00 39.33 ? 303 HOH D O 1 HETATM 5746 O O . HOH P 8 . ? 30.959 -10.934 45.657 1.00 18.03 ? 304 HOH D O 1 HETATM 5747 O O . HOH P 8 . ? 41.226 -1.931 45.447 1.00 53.64 ? 305 HOH D O 1 HETATM 5748 O O . HOH P 8 . ? 46.064 -21.409 33.574 1.00 45.39 ? 306 HOH D O 1 HETATM 5749 O O . HOH P 8 . ? 32.702 -17.785 37.169 1.00 29.33 ? 307 HOH D O 1 HETATM 5750 O O . HOH P 8 . ? 39.618 -15.164 63.237 1.00 40.60 ? 308 HOH D O 1 HETATM 5751 O O . HOH P 8 . ? 26.658 -12.937 69.792 1.00 49.04 ? 309 HOH D O 1 HETATM 5752 O O . HOH P 8 . ? 35.327 -28.388 54.510 1.00 48.99 ? 310 HOH D O 1 HETATM 5753 O O . HOH P 8 . ? 28.607 -11.362 63.179 1.00 50.01 ? 311 HOH D O 1 HETATM 5754 O O . HOH P 8 . ? 23.134 -26.592 72.024 1.00 46.86 ? 312 HOH D O 1 HETATM 5755 O O . HOH P 8 . ? 28.696 -13.235 59.749 1.00 50.63 ? 313 HOH D O 1 HETATM 5756 O O . HOH P 8 . ? 25.355 -10.701 61.414 1.00 53.03 ? 314 HOH D O 1 HETATM 5757 O O . HOH P 8 . ? 35.726 -27.660 31.304 1.00 41.97 ? 315 HOH D O 1 HETATM 5758 O O . HOH P 8 . ? 44.974 -23.154 44.351 1.00 42.11 ? 316 HOH D O 1 HETATM 5759 O O . HOH P 8 . ? 39.874 -23.348 35.967 1.00 53.86 ? 317 HOH D O 1 HETATM 5760 O O . HOH P 8 . ? 28.875 -4.688 58.501 1.00 47.85 ? 318 HOH D O 1 HETATM 5761 O O . HOH P 8 . ? 32.033 -28.734 22.908 1.00 46.15 ? 319 HOH D O 1 HETATM 5762 O O . HOH P 8 . ? 45.483 -34.020 51.116 1.00 58.09 ? 320 HOH D O 1 HETATM 5763 O O . HOH P 8 . ? 44.574 -9.135 76.939 1.00 48.52 ? 321 HOH D O 1 HETATM 5764 O O . HOH P 8 . ? 34.130 -29.517 29.184 1.00 44.91 ? 322 HOH D O 1 HETATM 5765 O O . HOH P 8 . ? 54.569 -32.313 52.284 1.00 50.20 ? 323 HOH D O 1 HETATM 5766 O O . HOH P 8 . ? 42.807 -8.532 40.142 1.00 28.62 ? 324 HOH D O 1 HETATM 5767 O O . HOH P 8 . ? 57.391 -25.242 53.108 1.00 57.97 ? 325 HOH D O 1 HETATM 5768 O O . HOH P 8 . ? 38.963 -24.375 39.815 1.00 30.07 ? 326 HOH D O 1 HETATM 5769 O O . HOH P 8 . ? 22.996 -16.752 78.038 1.00 42.82 ? 327 HOH D O 1 HETATM 5770 O O . HOH P 8 . ? 36.461 -18.170 65.389 1.00 55.28 ? 328 HOH D O 1 HETATM 5771 O O . HOH P 8 . ? 34.047 -30.078 36.906 1.00 54.73 ? 329 HOH D O 1 HETATM 5772 O O . HOH P 8 . ? 24.776 -7.218 51.343 1.00 43.88 ? 330 HOH D O 1 HETATM 5773 O O . HOH P 8 . ? 50.767 -20.969 34.962 1.00 50.65 ? 331 HOH D O 1 HETATM 5774 O O . HOH P 8 . ? 28.500 -15.206 67.036 1.00 39.95 ? 332 HOH D O 1 HETATM 5775 O O . HOH P 8 . ? 47.832 -19.811 32.900 1.00 43.42 ? 333 HOH D O 1 HETATM 5776 O O . HOH P 8 . ? 20.572 -25.735 71.699 1.00 32.39 ? 334 HOH D O 1 HETATM 5777 O O . HOH P 8 . ? 33.463 3.774 56.636 1.00 63.17 ? 335 HOH D O 1 HETATM 5778 O O . HOH Q 8 . ? 8.069 -35.958 1.961 1.00 42.25 ? 101 HOH A O 1 HETATM 5779 O O . HOH Q 8 . ? 23.400 -27.087 -7.831 1.00 26.48 ? 102 HOH A O 1 HETATM 5780 O O . HOH Q 8 . ? 5.448 -17.914 -11.629 1.00 72.18 ? 103 HOH A O 1 HETATM 5781 O O . HOH Q 8 . ? 11.963 -27.265 -21.547 1.00 58.28 ? 104 HOH A O 1 HETATM 5782 O O . HOH Q 8 . ? 16.570 -19.144 -12.318 1.00 51.11 ? 105 HOH A O 1 HETATM 5783 O O . HOH Q 8 . ? 14.993 -23.456 -4.619 1.00 40.45 ? 106 HOH A O 1 HETATM 5784 O O . HOH Q 8 . ? 1.150 -29.806 -10.453 1.00 58.27 ? 107 HOH A O 1 # loop_ _atom_site_anisotrop.id _atom_site_anisotrop.type_symbol _atom_site_anisotrop.pdbx_label_atom_id _atom_site_anisotrop.pdbx_label_alt_id _atom_site_anisotrop.pdbx_label_comp_id _atom_site_anisotrop.pdbx_label_asym_id _atom_site_anisotrop.pdbx_label_seq_id _atom_site_anisotrop.pdbx_PDB_ins_code _atom_site_anisotrop.U[1][1] _atom_site_anisotrop.U[2][2] _atom_site_anisotrop.U[3][3] _atom_site_anisotrop.U[1][2] _atom_site_anisotrop.U[1][3] _atom_site_anisotrop.U[2][3] _atom_site_anisotrop.pdbx_auth_seq_id _atom_site_anisotrop.pdbx_auth_comp_id _atom_site_anisotrop.pdbx_auth_asym_id _atom_site_anisotrop.pdbx_auth_atom_id 1 N N . LYS A 1 ? 0.8203 0.8195 0.6759 -0.0636 0.0263 -0.0440 0 LYS B N 2 C CA . LYS A 1 ? 0.8167 0.8281 0.6714 -0.0654 0.0254 -0.0405 0 LYS B CA 3 C C . LYS A 1 ? 0.7909 0.8046 0.6489 -0.0610 0.0248 -0.0345 0 LYS B C 4 O O . LYS A 1 ? 0.7800 0.7907 0.6404 -0.0569 0.0253 -0.0326 0 LYS B O 5 C CB . LYS A 1 ? 0.8337 0.8551 0.6862 -0.0669 0.0262 -0.0415 0 LYS B CB 6 C CG . LYS A 1 ? 0.8474 0.8796 0.6968 -0.0718 0.0254 -0.0416 0 LYS B CG 7 C CD . LYS A 1 ? 0.8522 0.8951 0.7032 -0.0700 0.0246 -0.0353 0 LYS B CD 8 C CE . LYS A 1 ? 0.8718 0.9264 0.7199 -0.0748 0.0237 -0.0350 0 LYS B CE 9 N NZ . LYS A 1 ? 0.8828 0.9349 0.7304 -0.0775 0.0224 -0.0350 0 LYS B NZ 10 N N . SER A 2 ? 0.7752 0.7942 0.6331 -0.0619 0.0236 -0.0315 1 SER B N 11 C CA . SER A 2 ? 0.7580 0.7777 0.6187 -0.0574 0.0228 -0.0265 1 SER B CA 12 C C . SER A 2 ? 0.7377 0.7656 0.5992 -0.0542 0.0228 -0.0222 1 SER B C 13 O O . SER A 2 ? 0.7287 0.7534 0.5924 -0.0495 0.0225 -0.0189 1 SER B O 14 C CB . SER A 2 ? 0.7672 0.7907 0.6274 -0.0592 0.0215 -0.0250 1 SER B CB 15 O OG . SER A 2 ? 0.7797 0.8151 0.6374 -0.0631 0.0211 -0.0247 1 SER B OG 16 N N . GLU A 3 ? 0.7410 0.7791 0.6003 -0.0567 0.0230 -0.0222 2 GLU B N 17 C CA . GLU A 3 ? 0.7436 0.7890 0.6033 -0.0541 0.0232 -0.0184 2 GLU B CA 18 C C . GLU A 3 ? 0.7128 0.7502 0.5745 -0.0509 0.0240 -0.0183 2 GLU B C 19 O O . GLU A 3 ? 0.7123 0.7494 0.5756 -0.0469 0.0235 -0.0139 2 GLU B O 20 C CB . GLU A 3 ? 0.7823 0.8388 0.6392 -0.0582 0.0237 -0.0199 2 GLU B CB 21 C CG . GLU A 3 ? 0.8127 0.8786 0.6697 -0.0562 0.0237 -0.0156 2 GLU B CG 22 C CD . GLU A 3 ? 0.8536 0.9261 0.7085 -0.0597 0.0248 -0.0184 2 GLU B CD 23 O OE1 . GLU A 3 ? 0.8505 0.9253 0.7062 -0.0577 0.0252 -0.0161 2 GLU B OE1 24 O OE2 . GLU A 3 ? 0.8931 0.9686 0.7453 -0.0645 0.0250 -0.0230 2 GLU B OE2 25 N N . HIS A 4 ? 0.6768 0.7076 0.5382 -0.0526 0.0250 -0.0229 3 HIS B N 26 C CA . HIS A 4 ? 0.6587 0.6828 0.5219 -0.0500 0.0258 -0.0230 3 HIS B CA 27 C C . HIS A 4 ? 0.6405 0.6547 0.5064 -0.0463 0.0252 -0.0212 3 HIS B C 28 O O . HIS A 4 ? 0.6313 0.6430 0.4989 -0.0433 0.0251 -0.0181 3 HIS B O 29 C CB . HIS A 4 ? 0.6496 0.6703 0.5116 -0.0523 0.0271 -0.0287 3 HIS B CB 30 C CG . HIS A 4 ? 0.6486 0.6792 0.5080 -0.0554 0.0278 -0.0305 3 HIS B CG 31 N ND1 . HIS A 4 ? 0.6460 0.6862 0.5053 -0.0547 0.0278 -0.0267 3 HIS B ND1 32 C CD2 . HIS A 4 ? 0.6475 0.6800 0.5038 -0.0592 0.0285 -0.0358 3 HIS B CD2 33 C CE1 . HIS A 4 ? 0.6476 0.6961 0.5043 -0.0580 0.0285 -0.0295 3 HIS B CE1 34 N NE2 . HIS A 4 ? 0.6473 0.6911 0.5020 -0.0608 0.0289 -0.0353 3 HIS B NE2 35 N N . GLU A 5 ? 0.6358 0.6444 0.5019 -0.0469 0.0248 -0.0229 4 GLU B N 36 C CA . GLU A 5 ? 0.6338 0.6339 0.5023 -0.0436 0.0241 -0.0213 4 GLU B CA 37 C C . GLU A 5 ? 0.5949 0.5980 0.4644 -0.0399 0.0230 -0.0160 4 GLU B C 38 O O . GLU A 5 ? 0.5710 0.5684 0.4421 -0.0366 0.0227 -0.0139 4 GLU B O 39 C CB . GLU A 5 ? 0.6660 0.6614 0.5345 -0.0453 0.0238 -0.0238 4 GLU B CB 40 C CG . GLU A 5 ? 0.7032 0.6917 0.5710 -0.0478 0.0247 -0.0289 4 GLU B CG 41 C CD . GLU A 5 ? 0.7430 0.7268 0.6100 -0.0503 0.0241 -0.0310 4 GLU B CD 42 O OE1 . GLU A 5 ? 0.7570 0.7470 0.6222 -0.0534 0.0234 -0.0308 4 GLU B OE1 43 O OE2 . GLU A 5 ? 0.7729 0.7473 0.6413 -0.0493 0.0244 -0.0327 4 GLU B OE2 44 N N . THR A 6 ? 0.5733 0.5855 0.4414 -0.0405 0.0224 -0.0140 5 THR B N 45 C CA . THR A 6 ? 0.5595 0.5755 0.4280 -0.0366 0.0213 -0.0090 5 THR B CA 46 C C . THR A 6 ? 0.5514 0.5667 0.4203 -0.0341 0.0212 -0.0059 5 THR B C 47 O O . THR A 6 ? 0.5501 0.5597 0.4201 -0.0301 0.0205 -0.0031 5 THR B O 48 C CB . THR A 6 ? 0.5540 0.5821 0.4206 -0.0380 0.0207 -0.0074 5 THR B CB 49 O OG1 . THR A 6 ? 0.5569 0.5854 0.4232 -0.0403 0.0205 -0.0096 5 THR B OG1 50 C CG2 . THR A 6 ? 0.5491 0.5818 0.4159 -0.0332 0.0197 -0.0022 5 THR B CG2 51 N N . ARG A 7 ? 0.5416 0.5628 0.4095 -0.0366 0.0220 -0.0064 6 ARG B N 52 C CA . ARG A 7 ? 0.5333 0.5547 0.4014 -0.0352 0.0220 -0.0034 6 ARG B CA 53 C C . ARG A 7 ? 0.5261 0.5366 0.3960 -0.0338 0.0222 -0.0039 6 ARG B C 54 O O . ARG A 7 ? 0.5206 0.5278 0.3911 -0.0312 0.0213 -0.0002 6 ARG B O 55 C CB . ARG A 7 ? 0.5315 0.5615 0.3982 -0.0387 0.0230 -0.0046 6 ARG B CB 56 C CG . ARG A 7 ? 0.5342 0.5660 0.4012 -0.0376 0.0228 -0.0006 6 ARG B CG 57 C CD . ARG A 7 ? 0.5359 0.5781 0.4015 -0.0408 0.0237 -0.0013 6 ARG B CD 58 N NE . ARG A 7 ? 0.5303 0.5835 0.3941 -0.0418 0.0233 0.0001 6 ARG B NE 59 C CZ . ARG A 7 ? 0.5325 0.5916 0.3947 -0.0452 0.0239 -0.0036 6 ARG B CZ 60 N NH1 . ARG A 7 ? 0.5345 0.5884 0.3964 -0.0477 0.0248 -0.0095 6 ARG B NH1 61 N NH2 . ARG A 7 ? 0.5368 0.6071 0.3975 -0.0460 0.0234 -0.0014 6 ARG B NH2 62 N N . LEU A 8 ? 0.5210 0.5262 0.3917 -0.0355 0.0231 -0.0085 7 LEU B N 63 C CA . LEU A 8 ? 0.5306 0.5269 0.4031 -0.0344 0.0234 -0.0092 7 LEU B CA 64 C C . LEU A 8 ? 0.5380 0.5266 0.4117 -0.0308 0.0221 -0.0064 7 LEU B C 65 O O . LEU A 8 ? 0.5337 0.5182 0.4081 -0.0292 0.0215 -0.0037 7 LEU B O 66 C CB . LEU A 8 ? 0.5268 0.5186 0.3997 -0.0363 0.0246 -0.0145 7 LEU B CB 67 C CG . LEU A 8 ? 0.5274 0.5109 0.4024 -0.0351 0.0249 -0.0154 7 LEU B CG 68 C CD1 . LEU A 8 ? 0.5258 0.5119 0.4011 -0.0354 0.0254 -0.0139 7 LEU B CD1 69 C CD2 . LEU A 8 ? 0.5333 0.5124 0.4086 -0.0364 0.0260 -0.0204 7 LEU B CD2 70 N N . GLU A 9 ? 0.5480 0.5353 0.4217 -0.0296 0.0215 -0.0069 8 GLU B N 71 C CA . GLU A 9 ? 0.5648 0.5454 0.4394 -0.0260 0.0203 -0.0050 8 GLU B CA 72 C C . GLU A 9 ? 0.5557 0.5369 0.4294 -0.0229 0.0191 -0.0002 8 GLU B C 73 O O . GLU A 9 ? 0.5533 0.5270 0.4275 -0.0206 0.0182 0.0014 8 GLU B O 74 C CB . GLU A 9 ? 0.5891 0.5707 0.4636 -0.0256 0.0200 -0.0064 8 GLU B CB 75 C CG . GLU A 9 ? 0.6117 0.5852 0.4875 -0.0227 0.0192 -0.0063 8 GLU B CG 76 C CD . GLU A 9 ? 0.6345 0.6105 0.5103 -0.0223 0.0188 -0.0071 8 GLU B CD 77 O OE1 . GLU A 9 ? 0.6721 0.6549 0.5470 -0.0252 0.0192 -0.0084 8 GLU B OE1 78 O OE2 . GLU A 9 ? 0.6381 0.6095 0.5146 -0.0194 0.0180 -0.0065 8 GLU B OE2 79 N N . ALA A 10 ? 0.5479 0.5380 0.4202 -0.0229 0.0189 0.0018 9 ALA B N 80 C CA . ALA A 10 ? 0.5529 0.5439 0.4240 -0.0197 0.0176 0.0067 9 ALA B CA 81 C C . ALA A 10 ? 0.5614 0.5479 0.4327 -0.0203 0.0174 0.0089 9 ALA B C 82 O O . ALA A 10 ? 0.5618 0.5417 0.4326 -0.0174 0.0160 0.0120 9 ALA B O 83 C CB . ALA A 10 ? 0.5539 0.5566 0.4235 -0.0201 0.0176 0.0087 9 ALA B CB 84 N N . LYS A 11 ? 0.5646 0.5547 0.4363 -0.0241 0.0186 0.0071 10 LYS B N 85 C CA . LYS A 11 ? 0.5721 0.5596 0.4442 -0.0253 0.0185 0.0092 10 LYS B CA 86 C C . LYS A 11 ? 0.5684 0.5455 0.4419 -0.0251 0.0183 0.0079 10 LYS B C 87 O O . LYS A 11 ? 0.5667 0.5396 0.4402 -0.0252 0.0175 0.0107 10 LYS B O 88 C CB . LYS A 11 ? 0.5823 0.5787 0.4542 -0.0292 0.0199 0.0078 10 LYS B CB 89 C CG . LYS A 11 ? 0.5926 0.5988 0.4629 -0.0296 0.0196 0.0115 10 LYS B CG 90 C CD . LYS A 11 ? 0.6009 0.6178 0.4703 -0.0327 0.0210 0.0083 10 LYS B CD 91 C CE . LYS A 11 ? 0.6136 0.6412 0.4817 -0.0338 0.0208 0.0120 10 LYS B CE 92 N NZ . LYS A 11 ? 0.6241 0.6530 0.4913 -0.0306 0.0192 0.0174 10 LYS B NZ 93 N N . LEU A 12 ? 0.5565 0.5301 0.4312 -0.0251 0.0191 0.0038 11 LEU B N 94 C CA . LEU A 12 ? 0.5539 0.5183 0.4301 -0.0246 0.0189 0.0026 11 LEU B CA 95 C C . LEU A 12 ? 0.5596 0.5161 0.4351 -0.0212 0.0170 0.0054 11 LEU B C 96 O O . LEU A 12 ? 0.5480 0.4974 0.4239 -0.0211 0.0162 0.0065 11 LEU B O 97 C CB . LEU A 12 ? 0.5460 0.5086 0.4235 -0.0252 0.0200 -0.0020 11 LEU B CB 98 C CG . LEU A 12 ? 0.5413 0.5075 0.4196 -0.0282 0.0218 -0.0058 11 LEU B CG 99 C CD1 . LEU A 12 ? 0.5391 0.5028 0.4181 -0.0284 0.0224 -0.0098 11 LEU B CD1 100 C CD2 . LEU A 12 ? 0.5425 0.5060 0.4221 -0.0291 0.0222 -0.0058 11 LEU B CD2 101 N N . PHE A 13 ? 0.5647 0.5228 0.4391 -0.0184 0.0163 0.0064 12 PHE B N 102 C CA . PHE A 13 ? 0.5766 0.5274 0.4502 -0.0144 0.0147 0.0078 12 PHE B CA 103 C C . PHE A 13 ? 0.6007 0.5510 0.4720 -0.0113 0.0131 0.0123 12 PHE B C 104 O O . PHE A 13 ? 0.6081 0.5522 0.4782 -0.0073 0.0117 0.0133 12 PHE B O 105 C CB . PHE A 13 ? 0.5668 0.5187 0.4409 -0.0127 0.0150 0.0050 12 PHE B CB 106 C CG . PHE A 13 ? 0.5635 0.5116 0.4397 -0.0145 0.0159 0.0013 12 PHE B CG 107 C CD1 . PHE A 13 ? 0.5629 0.5020 0.4396 -0.0134 0.0151 0.0011 12 PHE B CD1 108 C CD2 . PHE A 13 ? 0.5619 0.5149 0.4392 -0.0175 0.0174 -0.0017 12 PHE B CD2 109 C CE1 . PHE A 13 ? 0.5569 0.4930 0.4357 -0.0148 0.0159 -0.0018 12 PHE B CE1 110 C CE2 . PHE A 13 ? 0.5559 0.5045 0.4349 -0.0188 0.0181 -0.0048 12 PHE B CE2 111 C CZ . PHE A 13 ? 0.5559 0.4967 0.4359 -0.0173 0.0174 -0.0047 12 PHE B CZ 112 N N . LYS A 14 ? 0.6247 0.5811 0.4952 -0.0129 0.0132 0.0151 13 LYS B N 113 C CA . LYS A 14 ? 0.6484 0.6043 0.5167 -0.0099 0.0116 0.0199 13 LYS B CA 114 C C . LYS A 14 ? 0.6455 0.5896 0.5127 -0.0091 0.0099 0.0224 13 LYS B C 115 O O . LYS A 14 ? 0.6533 0.5912 0.5185 -0.0049 0.0082 0.0248 13 LYS B O 116 C CB . LYS A 14 ? 0.6743 0.6403 0.5422 -0.0123 0.0122 0.0225 13 LYS B CB 117 C CG . LYS A 14 ? 0.6911 0.6587 0.5567 -0.0089 0.0107 0.0277 13 LYS B CG 118 C CD . LYS A 14 ? 0.7098 0.6796 0.5748 -0.0116 0.0102 0.0319 13 LYS B CD 119 C CE . LYS A 14 ? 0.7293 0.6990 0.5920 -0.0078 0.0084 0.0376 13 LYS B CE 120 N NZ . LYS A 14 ? 0.7454 0.7111 0.6070 -0.0099 0.0071 0.0424 13 LYS B NZ 121 N N . ASP A 15 ? 0.6388 0.5803 0.5072 -0.0132 0.0103 0.0219 14 ASP B N 122 C CA . ASP A 15 ? 0.6458 0.5768 0.5131 -0.0138 0.0085 0.0244 14 ASP B CA 123 C C . ASP A 15 ? 0.6209 0.5446 0.4897 -0.0147 0.0087 0.0209 14 ASP B C 124 O O . ASP A 15 ? 0.6126 0.5292 0.4810 -0.0167 0.0076 0.0223 14 ASP B O 125 C CB . ASP A 15 ? 0.6665 0.6013 0.5339 -0.0180 0.0085 0.0278 14 ASP B CB 126 C CG . ASP A 15 ? 0.6824 0.6261 0.5486 -0.0176 0.0085 0.0314 14 ASP B CG 127 O OD1 . ASP A 15 ? 0.6981 0.6388 0.5621 -0.0137 0.0069 0.0346 14 ASP B OD1 128 O OD2 . ASP A 15 ? 0.6924 0.6465 0.5598 -0.0210 0.0100 0.0309 14 ASP B OD2 129 N N . TYR A 16 ? 0.5963 0.5219 0.4667 -0.0136 0.0100 0.0166 15 TYR B N 130 C CA . TYR A 16 ? 0.5829 0.5026 0.4547 -0.0142 0.0102 0.0134 15 TYR B CA 131 C C . TYR A 16 ? 0.5791 0.4885 0.4491 -0.0106 0.0084 0.0135 15 TYR B C 132 O O . TYR A 16 ? 0.5729 0.4819 0.4413 -0.0064 0.0076 0.0141 15 TYR B O 133 C CB . TYR A 16 ? 0.5655 0.4912 0.4395 -0.0146 0.0121 0.0091 15 TYR B CB 134 C CG . TYR A 16 ? 0.5524 0.4739 0.4285 -0.0158 0.0127 0.0060 15 TYR B CG 135 C CD1 . TYR A 16 ? 0.5412 0.4642 0.4191 -0.0193 0.0137 0.0050 15 TYR B CD1 136 C CD2 . TYR A 16 ? 0.5495 0.4663 0.4257 -0.0130 0.0122 0.0040 15 TYR B CD2 137 C CE1 . TYR A 16 ? 0.5413 0.4611 0.4211 -0.0201 0.0142 0.0025 15 TYR B CE1 138 C CE2 . TYR A 16 ? 0.5427 0.4562 0.4208 -0.0141 0.0127 0.0014 15 TYR B CE2 139 C CZ . TYR A 16 ? 0.5393 0.4542 0.4192 -0.0175 0.0137 0.0007 15 TYR B CZ 140 O OH . TYR A 16 ? 0.5216 0.4339 0.4035 -0.0183 0.0142 -0.0015 15 TYR B OH 141 N N . SER A 17 ? 0.5840 0.4858 0.4544 -0.0121 0.0076 0.0128 16 SER B N 142 C CA . SER A 17 ? 0.5938 0.4861 0.4627 -0.0092 0.0062 0.0116 16 SER B CA 143 C C . SER A 17 ? 0.5923 0.4848 0.4638 -0.0104 0.0072 0.0078 16 SER B C 144 O O . SER A 17 ? 0.5827 0.4765 0.4561 -0.0143 0.0080 0.0073 16 SER B O 145 C CB . SER A 17 ? 0.6056 0.4878 0.4720 -0.0104 0.0039 0.0145 16 SER B CB 146 O OG . SER A 17 ? 0.6139 0.4867 0.4789 -0.0084 0.0026 0.0126 16 SER B OG 147 N N . SER A 18 ? 0.6076 0.4991 0.4791 -0.0070 0.0073 0.0053 17 SER B N 148 C CA . SER A 18 ? 0.6105 0.5018 0.4843 -0.0078 0.0081 0.0020 17 SER B CA 149 C C . SER A 18 ? 0.6217 0.5034 0.4943 -0.0077 0.0065 0.0016 17 SER B C 150 O O . SER A 18 ? 0.6190 0.5005 0.4934 -0.0086 0.0070 -0.0007 17 SER B O 151 C CB . SER A 18 ? 0.6110 0.5068 0.4854 -0.0046 0.0088 -0.0001 17 SER B CB 152 O OG . SER A 18 ? 0.6242 0.5163 0.4958 0.0000 0.0073 0.0005 17 SER B OG 153 N N . VAL A 19 ? 0.6481 0.5220 0.5175 -0.0070 0.0044 0.0039 18 VAL B N 154 C CA . VAL A 19 ? 0.6793 0.5431 0.5467 -0.0071 0.0025 0.0035 18 VAL B CA 155 C C . VAL A 19 ? 0.6938 0.5559 0.5622 -0.0126 0.0023 0.0045 18 VAL B C 156 O O . VAL A 19 ? 0.7046 0.5620 0.5730 -0.0139 0.0016 0.0031 18 VAL B O 157 C CB . VAL A 19 ? 0.6978 0.5524 0.5606 -0.0038 0.0002 0.0054 18 VAL B CB 158 C CG1 . VAL A 19 ? 0.7145 0.5576 0.5746 -0.0043 -0.0019 0.0046 18 VAL B CG1 159 C CG2 . VAL A 19 ? 0.7024 0.5596 0.5640 0.0022 0.0003 0.0044 18 VAL B CG2 160 N N . VAL A 20 ? 0.7013 0.5679 0.5706 -0.0158 0.0029 0.0072 19 VAL B N 161 C CA . VAL A 20 ? 0.7104 0.5770 0.5806 -0.0212 0.0027 0.0088 19 VAL B CA 162 C C . VAL A 20 ? 0.6967 0.5725 0.5712 -0.0233 0.0051 0.0067 19 VAL B C 163 O O . VAL A 20 ? 0.6997 0.5829 0.5762 -0.0218 0.0071 0.0052 19 VAL B O 164 C CB . VAL A 20 ? 0.7310 0.5982 0.5996 -0.0237 0.0019 0.0132 19 VAL B CB 165 C CG1 . VAL A 20 ? 0.7512 0.6091 0.6155 -0.0208 -0.0004 0.0155 19 VAL B CG1 166 C CG2 . VAL A 20 ? 0.7269 0.6054 0.5979 -0.0241 0.0041 0.0136 19 VAL B CG2 167 N N . ARG A 21 ? 0.6880 0.5635 0.5638 -0.0268 0.0050 0.0066 20 ARG B N 168 C CA . ARG A 21 ? 0.6860 0.5698 0.5656 -0.0285 0.0072 0.0049 20 ARG B CA 169 C C . ARG A 21 ? 0.6940 0.5863 0.5748 -0.0306 0.0086 0.0065 20 ARG B C 170 O O . ARG A 21 ? 0.6925 0.5842 0.5717 -0.0331 0.0075 0.0099 20 ARG B O 171 C CB . ARG A 21 ? 0.6759 0.5584 0.5565 -0.0318 0.0066 0.0050 20 ARG B CB 172 C CG . ARG A 21 ? 0.6754 0.5508 0.5550 -0.0302 0.0053 0.0030 20 ARG B CG 173 C CD . ARG A 21 ? 0.6751 0.5503 0.5556 -0.0339 0.0047 0.0033 20 ARG B CD 174 N NE . ARG A 21 ? 0.6719 0.5454 0.5506 -0.0385 0.0031 0.0069 20 ARG B NE 175 C CZ . ARG A 21 ? 0.6656 0.5460 0.5463 -0.0425 0.0037 0.0085 20 ARG B CZ 176 N NH1 . ARG A 21 ? 0.6620 0.5512 0.5467 -0.0423 0.0059 0.0068 20 ARG B NH1 177 N NH2 . ARG A 21 ? 0.6766 0.5552 0.5553 -0.0469 0.0020 0.0122 20 ARG B NH2 178 N N . PRO A 22 ? 0.6995 0.5995 0.5830 -0.0296 0.0110 0.0041 21 PRO B N 179 C CA . PRO A 22 ? 0.7195 0.6278 0.6038 -0.0311 0.0125 0.0049 21 PRO B CA 180 C C . PRO A 22 ? 0.7531 0.6672 0.6392 -0.0347 0.0132 0.0059 21 PRO B C 181 O O . PRO A 22 ? 0.7406 0.6615 0.6291 -0.0346 0.0153 0.0036 21 PRO B O 182 C CB . PRO A 22 ? 0.7050 0.6176 0.5910 -0.0287 0.0145 0.0014 21 PRO B CB 183 C CG . PRO A 22 ? 0.6992 0.6087 0.5869 -0.0276 0.0147 -0.0009 21 PRO B CG 184 C CD . PRO A 22 ? 0.6908 0.5919 0.5765 -0.0273 0.0124 0.0005 21 PRO B CD 185 N N . VAL A 23 ? 0.7936 0.7047 0.6783 -0.0378 0.0114 0.0093 22 VAL B N 186 C CA . VAL A 23 ? 0.8331 0.7509 0.7190 -0.0417 0.0118 0.0112 22 VAL B CA 187 C C . VAL A 23 ? 0.8769 0.7957 0.7605 -0.0446 0.0104 0.0157 22 VAL B C 188 O O . VAL A 23 ? 0.8794 0.7907 0.7602 -0.0440 0.0085 0.0179 22 VAL B O 189 C CB . VAL A 23 ? 0.8420 0.7569 0.7286 -0.0438 0.0107 0.0115 22 VAL B CB 190 C CG1 . VAL A 23 ? 0.8402 0.7568 0.7297 -0.0412 0.0124 0.0075 22 VAL B CG1 191 C CG2 . VAL A 23 ? 0.8438 0.7470 0.7272 -0.0446 0.0078 0.0133 22 VAL B CG2 192 N N . GLU A 24 ? 0.9210 0.8497 0.8060 -0.0475 0.0114 0.0172 23 GLU B N 193 C CA . GLU A 24 ? 0.9497 0.8817 0.8329 -0.0506 0.0104 0.0217 23 GLU B CA 194 C C . GLU A 24 ? 0.9550 0.8793 0.8358 -0.0545 0.0074 0.0261 23 GLU B C 195 O O . GLU A 24 ? 0.9542 0.8716 0.8320 -0.0549 0.0053 0.0292 23 GLU B O 196 C CB . GLU A 24 ? 0.9692 0.9152 0.8546 -0.0526 0.0125 0.0218 23 GLU B CB 197 C CG . GLU A 24 ? 0.9853 0.9380 0.8694 -0.0542 0.0126 0.0249 23 GLU B CG 198 C CD . GLU A 24 ? 1.0046 0.9719 0.8909 -0.0554 0.0149 0.0241 23 GLU B CD 199 O OE1 . GLU A 24 ? 1.0291 1.0009 0.9175 -0.0525 0.0173 0.0193 23 GLU B OE1 200 O OE2 . GLU A 24 ? 1.0142 0.9885 0.8999 -0.0593 0.0142 0.0283 23 GLU B OE2 201 N N . ASP A 25 ? 0.9661 0.8915 0.8482 -0.0574 0.0070 0.0262 24 ASP B N 202 C CA . ASP A 25 ? 0.9895 0.9066 0.8692 -0.0615 0.0040 0.0295 24 ASP B CA 203 C C . ASP A 25 ? 0.9884 0.8959 0.8678 -0.0591 0.0034 0.0261 24 ASP B C 204 O O . ASP A 25 ? 0.9843 0.8958 0.8665 -0.0562 0.0054 0.0221 24 ASP B O 205 C CB . ASP A 25 ? 1.0089 0.9351 0.8899 -0.0670 0.0039 0.0323 24 ASP B CB 206 C CG . ASP A 25 ? 1.0397 0.9574 0.9177 -0.0724 0.0005 0.0363 24 ASP B CG 207 O OD1 . ASP A 25 ? 1.0536 0.9671 0.9286 -0.0754 -0.0016 0.0408 24 ASP B OD1 208 O OD2 . ASP A 25 ? 1.0480 0.9630 0.9265 -0.0738 -0.0001 0.0349 24 ASP B OD2 209 N N . HIS A 26 ? 1.0007 0.8957 0.8765 -0.0604 0.0004 0.0278 25 HIS B N 210 C CA . HIS A 26 ? 1.0079 0.8933 0.8828 -0.0577 -0.0003 0.0245 25 HIS B CA 211 C C . HIS A 26 ? 0.9865 0.8746 0.8633 -0.0603 -0.0002 0.0231 25 HIS B C 212 O O . HIS A 26 ? 0.9814 0.8652 0.8587 -0.0575 -0.0001 0.0197 25 HIS B O 213 C CB . HIS A 26 ? 1.0491 0.9196 0.9191 -0.0575 -0.0035 0.0262 25 HIS B CB 214 C CG . HIS A 26 ? 1.0967 0.9606 0.9637 -0.0635 -0.0065 0.0295 25 HIS B CG 215 N ND1 . HIS A 26 ? 1.1248 0.9899 0.9902 -0.0687 -0.0081 0.0347 25 HIS B ND1 216 C CD2 . HIS A 26 ? 1.1189 0.9749 0.9842 -0.0655 -0.0084 0.0283 25 HIS B CD2 217 C CE1 . HIS A 26 ? 1.1479 1.0058 1.0106 -0.0739 -0.0109 0.0368 25 HIS B CE1 218 N NE2 . HIS A 26 ? 1.1531 1.0053 1.0155 -0.0721 -0.0111 0.0328 25 HIS B NE2 219 N N . ARG A 27 ? 0.9609 0.8569 0.8389 -0.0655 -0.0004 0.0260 26 ARG B N 220 C CA . ARG A 27 ? 0.9478 0.8484 0.8279 -0.0679 -0.0002 0.0250 26 ARG B CA 221 C C . ARG A 27 ? 0.9063 0.8169 0.7911 -0.0638 0.0031 0.0211 26 ARG B C 222 O O . ARG A 27 ? 0.9032 0.8152 0.7896 -0.0637 0.0034 0.0192 26 ARG B O 223 C CB . ARG A 27 ? 0.9723 0.8801 0.8524 -0.0748 -0.0013 0.0294 26 ARG B CB 224 C CG . ARG A 27 ? 0.9968 0.8934 0.8722 -0.0802 -0.0051 0.0331 26 ARG B CG 225 C CD . ARG A 27 ? 1.0195 0.9248 0.8949 -0.0873 -0.0061 0.0383 26 ARG B CD 226 N NE . ARG A 27 ? 1.0343 0.9451 0.9097 -0.0871 -0.0053 0.0412 26 ARG B NE 227 C CZ . ARG A 27 ? 1.0417 0.9625 0.9175 -0.0925 -0.0056 0.0458 26 ARG B CZ 228 N NH1 . ARG A 27 ? 1.0487 0.9755 0.9248 -0.0987 -0.0068 0.0484 26 ARG B NH1 229 N NH2 . ARG A 27 ? 1.0447 0.9704 0.9204 -0.0918 -0.0048 0.0481 26 ARG B NH2 230 N N . GLN A 28 ? 0.8635 0.7805 0.7500 -0.0606 0.0054 0.0200 27 GLN B N 231 C CA . GLN A 28 ? 0.8351 0.7598 0.7253 -0.0564 0.0085 0.0162 27 GLN B CA 232 C C . GLN A 28 ? 0.7964 0.7137 0.6869 -0.0522 0.0087 0.0124 27 GLN B C 233 O O . GLN A 28 ? 0.7871 0.6939 0.6748 -0.0513 0.0069 0.0122 27 GLN B O 234 C CB . GLN A 28 ? 0.8493 0.7797 0.7402 -0.0538 0.0105 0.0154 27 GLN B CB 235 C CG . GLN A 28 ? 0.8651 0.8058 0.7564 -0.0571 0.0111 0.0185 27 GLN B CG 236 C CD . GLN A 28 ? 0.8869 0.8314 0.7779 -0.0546 0.0126 0.0176 27 GLN B CD 237 O OE1 . GLN A 28 ? 0.8956 0.8343 0.7841 -0.0546 0.0114 0.0193 27 GLN B OE1 238 N NE2 . GLN A 28 ? 0.8969 0.8513 0.7906 -0.0524 0.0154 0.0149 27 GLN B NE2 239 N N . VAL A 29 ? 0.7564 0.6797 0.6503 -0.0495 0.0109 0.0096 28 VAL B N 240 C CA . VAL A 29 ? 0.7283 0.6467 0.6231 -0.0456 0.0113 0.0062 28 VAL B CA 241 C C . VAL A 29 ? 0.7012 0.6220 0.5974 -0.0413 0.0136 0.0034 28 VAL B C 242 O O . VAL A 29 ? 0.6977 0.6266 0.5955 -0.0409 0.0155 0.0030 28 VAL B O 243 C CB . VAL A 29 ? 0.7337 0.6572 0.6314 -0.0457 0.0121 0.0052 28 VAL B CB 244 C CG1 . VAL A 29 ? 0.7369 0.6537 0.6346 -0.0430 0.0116 0.0027 28 VAL B CG1 245 C CG2 . VAL A 29 ? 0.7475 0.6741 0.6448 -0.0510 0.0105 0.0084 28 VAL B CG2 246 N N . VAL A 30 ? 0.6660 0.5800 0.5612 -0.0381 0.0133 0.0013 29 VAL B N 247 C CA . VAL A 30 ? 0.6449 0.5609 0.5413 -0.0345 0.0153 -0.0013 29 VAL B CA 248 C C . VAL A 30 ? 0.6347 0.5539 0.5343 -0.0327 0.0168 -0.0036 29 VAL B C 249 O O . VAL A 30 ? 0.6234 0.5393 0.5234 -0.0324 0.0159 -0.0040 29 VAL B O 250 C CB . VAL A 30 ? 0.6419 0.5510 0.5363 -0.0319 0.0145 -0.0024 29 VAL B CB 251 C CG1 . VAL A 30 ? 0.6333 0.5453 0.5289 -0.0291 0.0165 -0.0050 29 VAL B CG1 252 C CG2 . VAL A 30 ? 0.6485 0.5538 0.5396 -0.0331 0.0129 0.0000 29 VAL B CG2 253 N N . GLU A 31 ? 0.6337 0.5596 0.5354 -0.0314 0.0190 -0.0050 30 GLU B N 254 C CA . GLU A 31 ? 0.6210 0.5494 0.5255 -0.0290 0.0205 -0.0071 30 GLU B CA 255 C C . GLU A 31 ? 0.5878 0.5120 0.4921 -0.0261 0.0211 -0.0097 30 GLU B C 256 O O . GLU A 31 ? 0.5817 0.5061 0.4848 -0.0255 0.0218 -0.0106 30 GLU B O 257 C CB . GLU A 31 ? 0.6426 0.5797 0.5489 -0.0287 0.0225 -0.0076 30 GLU B CB 258 C CG . GLU A 31 ? 0.6660 0.6095 0.5730 -0.0317 0.0221 -0.0049 30 GLU B CG 259 C CD . GLU A 31 ? 0.6928 0.6362 0.6013 -0.0323 0.0212 -0.0040 30 GLU B CD 260 O OE1 . GLU A 31 ? 0.7146 0.6579 0.6251 -0.0294 0.0222 -0.0058 30 GLU B OE1 261 O OE2 . GLU A 31 ? 0.7217 0.6650 0.6292 -0.0360 0.0194 -0.0013 30 GLU B OE2 262 N N . VAL A 32 ? 0.5599 0.4808 0.4653 -0.0245 0.0208 -0.0105 31 VAL B N 263 C CA . VAL A 32 ? 0.5379 0.4553 0.4434 -0.0222 0.0212 -0.0125 31 VAL B CA 264 C C . VAL A 32 ? 0.5298 0.4487 0.4380 -0.0202 0.0223 -0.0138 31 VAL B C 265 O O . VAL A 32 ? 0.5275 0.4470 0.4371 -0.0203 0.0218 -0.0129 31 VAL B O 266 C CB . VAL A 32 ? 0.5330 0.4447 0.4368 -0.0220 0.0193 -0.0120 31 VAL B CB 267 C CG1 . VAL A 32 ? 0.5259 0.4354 0.4297 -0.0199 0.0196 -0.0137 31 VAL B CG1 268 C CG2 . VAL A 32 ? 0.5351 0.4444 0.4360 -0.0235 0.0179 -0.0105 31 VAL B CG2 269 N N . THR A 33 ? 0.5247 0.4440 0.4333 -0.0185 0.0238 -0.0158 32 THR B N 270 C CA . THR A 33 ? 0.5262 0.4455 0.4370 -0.0163 0.0249 -0.0169 32 THR B CA 271 C C . THR A 33 ? 0.5338 0.4483 0.4444 -0.0155 0.0241 -0.0174 32 THR B C 272 O O . THR A 33 ? 0.5324 0.4445 0.4412 -0.0159 0.0238 -0.0182 32 THR B O 273 C CB . THR A 33 ? 0.5246 0.4460 0.4355 -0.0149 0.0268 -0.0191 32 THR B CB 274 O OG1 . THR A 33 ? 0.5301 0.4576 0.4417 -0.0153 0.0276 -0.0185 32 THR B OG1 275 C CG2 . THR A 33 ? 0.5240 0.4433 0.4366 -0.0122 0.0277 -0.0205 32 THR B CG2 276 N N . VAL A 34 ? 0.5429 0.4569 0.4555 -0.0145 0.0237 -0.0166 33 VAL B N 277 C CA . VAL A 34 ? 0.5478 0.4585 0.4604 -0.0140 0.0228 -0.0165 33 VAL B CA 278 C C . VAL A 34 ? 0.5524 0.4622 0.4670 -0.0121 0.0236 -0.0168 33 VAL B C 279 O O . VAL A 34 ? 0.5508 0.4631 0.4675 -0.0108 0.0244 -0.0165 33 VAL B O 280 C CB . VAL A 34 ? 0.5500 0.4607 0.4625 -0.0148 0.0212 -0.0150 33 VAL B CB 281 C CG1 . VAL A 34 ? 0.5510 0.4597 0.4637 -0.0141 0.0203 -0.0148 33 VAL B CG1 282 C CG2 . VAL A 34 ? 0.5555 0.4653 0.4655 -0.0165 0.0201 -0.0145 33 VAL B CG2 283 N N . GLY A 35 ? 0.5510 0.4577 0.4650 -0.0120 0.0232 -0.0173 34 GLY B N 284 C CA . GLY A 35 ? 0.5502 0.4549 0.4658 -0.0106 0.0236 -0.0172 34 GLY B CA 285 C C . GLY A 35 ? 0.5484 0.4515 0.4635 -0.0113 0.0223 -0.0163 34 GLY B C 286 O O . GLY A 35 ? 0.5525 0.4551 0.4655 -0.0126 0.0217 -0.0168 34 GLY B O 287 N N . LEU A 36 ? 0.5450 0.4481 0.4620 -0.0104 0.0219 -0.0149 35 LEU B N 288 C CA . LEU A 36 ? 0.5441 0.4467 0.4609 -0.0111 0.0208 -0.0138 35 LEU B CA 289 C C . LEU A 36 ? 0.5393 0.4383 0.4565 -0.0110 0.0211 -0.0137 35 LEU B C 290 O O . LEU A 36 ? 0.5455 0.4430 0.4644 -0.0094 0.0218 -0.0133 35 LEU B O 291 C CB . LEU A 36 ? 0.5478 0.4536 0.4665 -0.0104 0.0199 -0.0120 35 LEU B CB 292 C CG . LEU A 36 ? 0.5527 0.4597 0.4714 -0.0110 0.0187 -0.0107 35 LEU B CG 293 C CD1 . LEU A 36 ? 0.5558 0.4633 0.4719 -0.0121 0.0179 -0.0116 35 LEU B CD1 294 C CD2 . LEU A 36 ? 0.5541 0.4649 0.4743 -0.0104 0.0179 -0.0093 35 LEU B CD2 295 N N . GLN A 37 ? 0.5379 0.4355 0.4532 -0.0128 0.0206 -0.0141 36 GLN B N 296 C CA . GLN A 37 ? 0.5405 0.4341 0.4555 -0.0136 0.0204 -0.0136 36 GLN B CA 297 C C . GLN A 37 ? 0.5309 0.4268 0.4466 -0.0146 0.0190 -0.0112 36 GLN B C 298 O O . GLN A 37 ? 0.5243 0.4239 0.4389 -0.0156 0.0182 -0.0109 36 GLN B O 299 C CB . GLN A 37 ? 0.5481 0.4392 0.4604 -0.0156 0.0206 -0.0155 36 GLN B CB 300 C CG . GLN A 37 ? 0.5560 0.4470 0.4671 -0.0151 0.0218 -0.0180 36 GLN B CG 301 C CD . GLN A 37 ? 0.5659 0.4544 0.4742 -0.0171 0.0220 -0.0200 36 GLN B CD 302 O OE1 . GLN A 37 ? 0.5754 0.4623 0.4825 -0.0193 0.0212 -0.0195 36 GLN B OE1 303 N NE2 . GLN A 37 ? 0.5679 0.4568 0.4751 -0.0167 0.0231 -0.0221 36 GLN B NE2 304 N N . LEU A 38 ? 0.5295 0.4234 0.4470 -0.0140 0.0188 -0.0093 37 LEU B N 305 C CA . LEU A 38 ? 0.5233 0.4198 0.4416 -0.0151 0.0175 -0.0066 37 LEU B CA 306 C C . LEU A 38 ? 0.5122 0.4046 0.4289 -0.0178 0.0169 -0.0061 37 LEU B C 307 O O . LEU A 38 ? 0.5098 0.3955 0.4262 -0.0176 0.0174 -0.0066 37 LEU B O 308 C CB . LEU A 38 ? 0.5337 0.4309 0.4548 -0.0132 0.0174 -0.0044 37 LEU B CB 309 C CG . LEU A 38 ? 0.5451 0.4463 0.4674 -0.0142 0.0161 -0.0012 37 LEU B CG 310 C CD1 . LEU A 38 ? 0.5447 0.4527 0.4660 -0.0150 0.0153 -0.0015 37 LEU B CD1 311 C CD2 . LEU A 38 ? 0.5501 0.4529 0.4754 -0.0119 0.0162 0.0008 37 LEU B CD2 312 N N . ILE A 39 ? 0.4986 0.3949 0.4140 -0.0202 0.0158 -0.0052 38 ILE B N 313 C CA . ILE A 39 ? 0.5004 0.3938 0.4137 -0.0237 0.0151 -0.0047 38 ILE B CA 314 C C . ILE A 39 ? 0.4993 0.3938 0.4137 -0.0255 0.0137 -0.0009 38 ILE B C 315 O O . ILE A 39 ? 0.5033 0.3916 0.4171 -0.0274 0.0132 0.0000 38 ILE B O 316 C CB . ILE A 39 ? 0.4973 0.3955 0.4082 -0.0257 0.0148 -0.0059 38 ILE B CB 317 C CG1 . ILE A 39 ? 0.4946 0.3921 0.4045 -0.0241 0.0160 -0.0091 38 ILE B CG1 318 C CG2 . ILE A 39 ? 0.5003 0.3963 0.4090 -0.0299 0.0139 -0.0053 38 ILE B CG2 319 C CD1 . ILE A 39 ? 0.5035 0.3937 0.4123 -0.0242 0.0171 -0.0114 38 ILE B CD1 320 N N . GLN A 40 ? 0.4961 0.3986 0.4119 -0.0250 0.0130 0.0009 39 GLN B N 321 C CA . GLN A 40 ? 0.4973 0.4027 0.4143 -0.0267 0.0116 0.0048 39 GLN B CA 322 C C . GLN A 40 ? 0.4909 0.4052 0.4098 -0.0247 0.0112 0.0061 39 GLN B C 323 O O . GLN A 40 ? 0.4714 0.3909 0.3896 -0.0233 0.0115 0.0042 39 GLN B O 324 C CB . GLN A 40 ? 0.4970 0.4047 0.4118 -0.0310 0.0104 0.0060 39 GLN B CB 325 C CG . GLN A 40 ? 0.5020 0.4082 0.4173 -0.0342 0.0090 0.0100 39 GLN B CG 326 C CD . GLN A 40 ? 0.5042 0.4111 0.4168 -0.0393 0.0078 0.0110 39 GLN B CD 327 O OE1 . GLN A 40 ? 0.4957 0.4070 0.4064 -0.0403 0.0080 0.0090 39 GLN B OE1 328 N NE2 . GLN A 40 ? 0.5035 0.4062 0.4158 -0.0428 0.0065 0.0144 39 GLN B NE2 329 N N . LEU A 41 ? 0.4984 0.4140 0.4195 -0.0244 0.0106 0.0093 40 LEU B N 330 C CA . LEU A 41 ? 0.5040 0.4293 0.4264 -0.0237 0.0098 0.0111 40 LEU B CA 331 C C . LEU A 41 ? 0.5070 0.4385 0.4281 -0.0270 0.0085 0.0131 40 LEU B C 332 O O . LEU A 41 ? 0.5080 0.4364 0.4288 -0.0302 0.0077 0.0158 40 LEU B O 333 C CB . LEU A 41 ? 0.5093 0.4354 0.4346 -0.0225 0.0095 0.0142 40 LEU B CB 334 C CG . LEU A 41 ? 0.5154 0.4354 0.4424 -0.0196 0.0106 0.0134 40 LEU B CG 335 C CD1 . LEU A 41 ? 0.5169 0.4408 0.4467 -0.0185 0.0101 0.0170 40 LEU B CD1 336 C CD2 . LEU A 41 ? 0.5177 0.4387 0.4442 -0.0172 0.0117 0.0096 40 LEU B CD2 337 N N . ILE A 42 ? 0.5097 0.4497 0.4298 -0.0262 0.0083 0.0119 41 ILE B N 338 C CA . ILE A 42 ? 0.5192 0.4670 0.4379 -0.0289 0.0072 0.0135 41 ILE B CA 339 C C . ILE A 42 ? 0.5166 0.4755 0.4365 -0.0284 0.0062 0.0159 41 ILE B C 340 O O . ILE A 42 ? 0.5249 0.4908 0.4442 -0.0312 0.0051 0.0186 41 ILE B O 341 C CB . ILE A 42 ? 0.5228 0.4726 0.4388 -0.0286 0.0076 0.0105 41 ILE B CB 342 C CG1 . ILE A 42 ? 0.5247 0.4785 0.4403 -0.0244 0.0081 0.0075 41 ILE B CG1 343 C CG2 . ILE A 42 ? 0.5297 0.4695 0.4445 -0.0296 0.0085 0.0083 41 ILE B CG2 344 C CD1 . ILE A 42 ? 0.5292 0.4849 0.4422 -0.0238 0.0084 0.0049 41 ILE B CD1 345 N N . ASN A 43 ? 0.5153 0.4762 0.4366 -0.0252 0.0065 0.0151 42 ASN B N 346 C CA . ASN A 43 ? 0.5213 0.4928 0.4435 -0.0244 0.0057 0.0169 42 ASN B CA 347 C C . ASN A 43 ? 0.5253 0.4952 0.4499 -0.0223 0.0060 0.0173 42 ASN B C 348 O O . ASN A 43 ? 0.5145 0.4781 0.4393 -0.0201 0.0070 0.0146 42 ASN B O 349 C CB . ASN A 43 ? 0.5274 0.5066 0.4476 -0.0219 0.0057 0.0139 42 ASN B CB 350 C CG . ASN A 43 ? 0.5393 0.5314 0.4596 -0.0220 0.0046 0.0160 42 ASN B CG 351 O OD1 . ASN A 43 ? 0.5469 0.5435 0.4688 -0.0209 0.0042 0.0170 42 ASN B OD1 352 N ND2 . ASN A 43 ? 0.5490 0.5484 0.4677 -0.0234 0.0040 0.0166 42 ASN B ND2 353 N N . VAL A 44 ? 0.5395 0.5156 0.4660 -0.0233 0.0051 0.0211 43 VAL B N 354 C CA . VAL A 44 ? 0.5596 0.5365 0.4884 -0.0213 0.0052 0.0218 43 VAL B CA 355 C C . VAL A 44 ? 0.5709 0.5607 0.5001 -0.0210 0.0042 0.0232 43 VAL B C 356 O O . VAL A 44 ? 0.5806 0.5770 0.5102 -0.0234 0.0032 0.0270 43 VAL B O 357 C CB . VAL A 44 ? 0.5621 0.5320 0.4932 -0.0225 0.0052 0.0256 43 VAL B CB 358 C CG1 . VAL A 44 ? 0.5622 0.5342 0.4959 -0.0203 0.0054 0.0265 43 VAL B CG1 359 C CG2 . VAL A 44 ? 0.5667 0.5243 0.4970 -0.0226 0.0062 0.0236 43 VAL B CG2 360 N N . ASP A 45 ? 0.5855 0.5788 0.5140 -0.0181 0.0045 0.0200 44 ASP B N 361 C CA . ASP A 45 ? 0.5958 0.6012 0.5242 -0.0170 0.0037 0.0201 44 ASP B CA 362 C C . ASP A 45 ? 0.6115 0.6180 0.5423 -0.0163 0.0037 0.0215 44 ASP B C 363 O O . ASP A 45 ? 0.5987 0.6016 0.5292 -0.0143 0.0043 0.0184 44 ASP B O 364 C CB . ASP A 45 ? 0.5886 0.5962 0.5138 -0.0143 0.0039 0.0149 44 ASP B CB 365 C CG . ASP A 45 ? 0.5984 0.6179 0.5228 -0.0126 0.0031 0.0141 44 ASP B CG 366 O OD1 . ASP A 45 ? 0.5994 0.6267 0.5258 -0.0137 0.0024 0.0175 44 ASP B OD1 367 O OD2 . ASP A 45 ? 0.6015 0.6226 0.5228 -0.0100 0.0031 0.0097 44 ASP B OD2 368 N N . GLU A 46 ? 0.6309 0.6428 0.5642 -0.0181 0.0029 0.0266 45 GLU B N 369 C CA . GLU A 46 ? 0.6408 0.6550 0.5768 -0.0175 0.0028 0.0289 45 GLU B CA 370 C C . GLU A 46 ? 0.6442 0.6696 0.5797 -0.0160 0.0023 0.0273 45 GLU B C 371 O O . GLU A 46 ? 0.6621 0.6897 0.5993 -0.0153 0.0023 0.0282 45 GLU B O 372 C CB . GLU A 46 ? 0.6505 0.6651 0.5892 -0.0198 0.0022 0.0354 45 GLU B CB 373 C CG . GLU A 46 ? 0.6623 0.6637 0.6016 -0.0207 0.0027 0.0367 45 GLU B CG 374 C CD . GLU A 46 ? 0.6737 0.6734 0.6155 -0.0225 0.0020 0.0430 45 GLU B CD 375 O OE1 . GLU A 46 ? 0.6886 0.6921 0.6328 -0.0213 0.0018 0.0457 45 GLU B OE1 376 O OE2 . GLU A 46 ? 0.6768 0.6709 0.6180 -0.0251 0.0014 0.0455 45 GLU B OE2 377 N N . VAL A 47 ? 0.6449 0.6776 0.5777 -0.0154 0.0018 0.0248 46 VAL B N 378 C CA . VAL A 47 ? 0.6521 0.6950 0.5837 -0.0137 0.0013 0.0222 46 VAL B CA 379 C C . VAL A 47 ? 0.6502 0.6865 0.5795 -0.0114 0.0018 0.0165 46 VAL B C 380 O O . VAL A 47 ? 0.6655 0.7034 0.5955 -0.0109 0.0017 0.0157 46 VAL B O 381 C CB . VAL A 47 ? 0.6558 0.7095 0.5851 -0.0133 0.0006 0.0215 46 VAL B CB 382 C CG1 . VAL A 47 ? 0.6520 0.7144 0.5789 -0.0107 0.0001 0.0173 46 VAL B CG1 383 C CG2 . VAL A 47 ? 0.6507 0.7128 0.5823 -0.0162 -0.0001 0.0279 46 VAL B CG2 384 N N . ASN A 48 ? 0.6498 0.6790 0.5764 -0.0103 0.0023 0.0127 47 ASN B N 385 C CA . ASN A 48 ? 0.6463 0.6680 0.5704 -0.0084 0.0027 0.0074 47 ASN B CA 386 C C . ASN A 48 ? 0.6339 0.6441 0.5596 -0.0092 0.0037 0.0077 47 ASN B C 387 O O . ASN A 48 ? 0.6221 0.6257 0.5459 -0.0082 0.0040 0.0040 47 ASN B O 388 C CB . ASN A 48 ? 0.6555 0.6755 0.5758 -0.0065 0.0027 0.0035 47 ASN B CB 389 C CG . ASN A 48 ? 0.6650 0.6972 0.5836 -0.0052 0.0019 0.0030 47 ASN B CG 390 O OD1 . ASN A 48 ? 0.6608 0.6989 0.5801 -0.0061 0.0017 0.0060 47 ASN B OD1 391 N ND2 . ASN A 48 ? 0.6896 0.7261 0.6059 -0.0031 0.0013 -0.0005 47 ASN B ND2 392 N N . GLN A 49 ? 0.6361 0.6439 0.5650 -0.0108 0.0041 0.0122 48 GLN B N 393 C CA . GLN A 49 ? 0.6384 0.6365 0.5692 -0.0112 0.0051 0.0129 48 GLN B CA 394 C C . GLN A 49 ? 0.6089 0.5971 0.5373 -0.0106 0.0059 0.0094 48 GLN B C 395 O O . GLN A 49 ? 0.6050 0.5870 0.5334 -0.0101 0.0065 0.0075 48 GLN B O 396 C CB . GLN A 49 ? 0.6629 0.6624 0.5951 -0.0107 0.0051 0.0128 48 GLN B CB 397 C CG . GLN A 49 ? 0.6861 0.6942 0.6213 -0.0114 0.0045 0.0174 48 GLN B CG 398 C CD . GLN A 49 ? 0.7145 0.7276 0.6505 -0.0110 0.0043 0.0167 48 GLN B CD 399 O OE1 . GLN A 49 ? 0.7371 0.7599 0.6743 -0.0114 0.0035 0.0189 48 GLN B OE1 400 N NE2 . GLN A 49 ? 0.7246 0.7315 0.6598 -0.0107 0.0049 0.0137 48 GLN B NE2 401 N N . ILE A 50 ? 0.5854 0.5734 0.5121 -0.0109 0.0058 0.0089 49 ILE B N 402 C CA . ILE A 50 ? 0.5689 0.5491 0.4934 -0.0104 0.0064 0.0059 49 ILE B CA 403 C C . ILE A 50 ? 0.5551 0.5305 0.4806 -0.0122 0.0069 0.0086 49 ILE B C 404 O O . ILE A 50 ? 0.5508 0.5311 0.4774 -0.0138 0.0063 0.0119 49 ILE B O 405 C CB . ILE A 50 ? 0.5678 0.5520 0.4888 -0.0088 0.0058 0.0028 49 ILE B CB 406 C CG1 . ILE A 50 ? 0.5668 0.5522 0.4859 -0.0070 0.0053 -0.0007 49 ILE B CG1 407 C CG2 . ILE A 50 ? 0.5685 0.5462 0.4873 -0.0085 0.0064 0.0007 49 ILE B CG2 408 C CD1 . ILE A 50 ? 0.5645 0.5566 0.4804 -0.0049 0.0045 -0.0032 49 ILE B CD1 409 N N . VAL A 51 ? 0.5402 0.5064 0.4655 -0.0123 0.0078 0.0072 50 VAL B N 410 C CA . VAL A 51 ? 0.5364 0.4972 0.4617 -0.0140 0.0083 0.0085 50 VAL B CA 411 C C . VAL A 51 ? 0.5179 0.4741 0.4406 -0.0136 0.0088 0.0052 50 VAL B C 412 O O . VAL A 51 ? 0.5141 0.4665 0.4359 -0.0121 0.0093 0.0023 50 VAL B O 413 C CB . VAL A 51 ? 0.5450 0.4990 0.4728 -0.0146 0.0089 0.0107 50 VAL B CB 414 C CG1 . VAL A 51 ? 0.5541 0.5130 0.4847 -0.0145 0.0084 0.0143 50 VAL B CG1 415 C CG2 . VAL A 51 ? 0.5479 0.4950 0.4755 -0.0131 0.0101 0.0080 50 VAL B CG2 416 N N . THR A 52 ? 0.5079 0.4649 0.4294 -0.0152 0.0086 0.0059 51 THR B N 417 C CA . THR A 52 ? 0.5000 0.4539 0.4190 -0.0150 0.0090 0.0033 51 THR B CA 418 C C . THR A 52 ? 0.4977 0.4434 0.4172 -0.0169 0.0097 0.0039 51 THR B C 419 O O . THR A 52 ? 0.4898 0.4347 0.4104 -0.0191 0.0094 0.0068 51 THR B O 420 C CB . THR A 52 ? 0.5000 0.4616 0.4172 -0.0156 0.0082 0.0038 51 THR B CB 421 O OG1 . THR A 52 ? 0.4932 0.4627 0.4098 -0.0134 0.0075 0.0031 51 THR B OG1 422 C CG2 . THR A 52 ? 0.5014 0.4605 0.4160 -0.0152 0.0086 0.0013 51 THR B CG2 423 N N . THR A 53 ? 0.4954 0.4349 0.4138 -0.0160 0.0107 0.0012 52 THR B N 424 C CA . THR A 53 ? 0.5007 0.4326 0.4191 -0.0174 0.0115 0.0010 52 THR B CA 425 C C . THR A 53 ? 0.4929 0.4230 0.4087 -0.0178 0.0119 -0.0012 52 THR B C 426 O O . THR A 53 ? 0.4876 0.4200 0.4020 -0.0161 0.0119 -0.0032 52 THR B O 427 C CB . THR A 53 ? 0.5065 0.4328 0.4266 -0.0159 0.0125 0.0002 52 THR B CB 428 O OG1 . THR A 53 ? 0.5209 0.4469 0.4399 -0.0141 0.0129 -0.0023 52 THR B OG1 429 C CG2 . THR A 53 ? 0.5065 0.4352 0.4292 -0.0152 0.0121 0.0028 52 THR B CG2 430 N N . ASN A 54 ? 0.4947 0.4207 0.4099 -0.0201 0.0121 -0.0009 53 ASN B N 431 C CA . ASN A 54 ? 0.4926 0.4163 0.4055 -0.0208 0.0127 -0.0031 53 ASN B CA 432 C C . ASN A 54 ? 0.4873 0.4036 0.4006 -0.0198 0.0139 -0.0050 53 ASN B C 433 O O . ASN A 54 ? 0.4780 0.3892 0.3925 -0.0203 0.0143 -0.0043 53 ASN B O 434 C CB . ASN A 54 ? 0.4981 0.4221 0.4098 -0.0244 0.0121 -0.0018 53 ASN B CB 435 C CG . ASN A 54 ? 0.5095 0.4317 0.4188 -0.0255 0.0126 -0.0039 53 ASN B CG 436 O OD1 . ASN A 54 ? 0.5136 0.4359 0.4220 -0.0235 0.0132 -0.0061 53 ASN B OD1 437 N ND2 . ASN A 54 ? 0.5161 0.4367 0.4242 -0.0292 0.0122 -0.0031 53 ASN B ND2 438 N N . VAL A 55 ? 0.4880 0.4040 0.4003 -0.0182 0.0145 -0.0073 54 VAL B N 439 C CA . VAL A 55 ? 0.5015 0.4122 0.4141 -0.0172 0.0157 -0.0090 54 VAL B CA 440 C C . VAL A 55 ? 0.5188 0.4284 0.4291 -0.0178 0.0162 -0.0110 54 VAL B C 441 O O . VAL A 55 ? 0.5225 0.4356 0.4309 -0.0185 0.0157 -0.0111 54 VAL B O 442 C CB . VAL A 55 ? 0.4979 0.4095 0.4117 -0.0150 0.0158 -0.0093 54 VAL B CB 443 C CG1 . VAL A 55 ? 0.4930 0.4074 0.4091 -0.0144 0.0152 -0.0072 54 VAL B CG1 444 C CG2 . VAL A 55 ? 0.4948 0.4090 0.4068 -0.0140 0.0154 -0.0106 54 VAL B CG2 445 N N . ARG A 56 ? 0.5358 0.4412 0.4462 -0.0174 0.0174 -0.0125 55 ARG B N 446 C CA . ARG A 56 ? 0.5476 0.4526 0.4561 -0.0175 0.0180 -0.0144 55 ARG B CA 447 C C . ARG A 56 ? 0.5421 0.4461 0.4514 -0.0158 0.0187 -0.0151 55 ARG B C 448 O O . ARG A 56 ? 0.5286 0.4308 0.4398 -0.0149 0.0193 -0.0149 55 ARG B O 449 C CB . ARG A 56 ? 0.5726 0.4746 0.4797 -0.0194 0.0186 -0.0157 55 ARG B CB 450 C CG . ARG A 56 ? 0.5949 0.4999 0.4999 -0.0216 0.0179 -0.0154 55 ARG B CG 451 C CD . ARG A 56 ? 0.6188 0.5206 0.5224 -0.0244 0.0180 -0.0161 55 ARG B CD 452 N NE . ARG A 56 ? 0.6481 0.5527 0.5513 -0.0267 0.0167 -0.0141 55 ARG B NE 453 C CZ . ARG A 56 ? 0.6805 0.5825 0.5825 -0.0300 0.0163 -0.0139 55 ARG B CZ 454 N NH1 . ARG A 56 ? 0.6957 0.5915 0.5964 -0.0312 0.0170 -0.0161 55 ARG B NH1 455 N NH2 . ARG A 56 ? 0.6868 0.5924 0.5886 -0.0323 0.0150 -0.0116 55 ARG B NH2 456 N N . LEU A 57 ? 0.5461 0.4517 0.4539 -0.0154 0.0185 -0.0158 56 LEU B N 457 C CA . LEU A 57 ? 0.5479 0.4533 0.4561 -0.0144 0.0186 -0.0159 56 LEU B CA 458 C C . LEU A 57 ? 0.5458 0.4502 0.4529 -0.0150 0.0196 -0.0172 56 LEU B C 459 O O . LEU A 57 ? 0.5543 0.4596 0.4595 -0.0152 0.0193 -0.0174 56 LEU B O 460 C CB . LEU A 57 ? 0.5576 0.4647 0.4643 -0.0136 0.0174 -0.0155 56 LEU B CB 461 C CG . LEU A 57 ? 0.5722 0.4784 0.4786 -0.0130 0.0170 -0.0155 56 LEU B CG 462 C CD1 . LEU A 57 ? 0.5801 0.4863 0.4890 -0.0129 0.0172 -0.0150 56 LEU B CD1 463 C CD2 . LEU A 57 ? 0.5761 0.4829 0.4806 -0.0119 0.0155 -0.0154 56 LEU B CD2 464 N N . LYS A 58 ? 0.5390 0.4418 0.4472 -0.0150 0.0208 -0.0180 57 LYS B N 465 C CA . LYS A 58 ? 0.5400 0.4426 0.4471 -0.0155 0.0219 -0.0195 57 LYS B CA 466 C C . LYS A 58 ? 0.5296 0.4340 0.4366 -0.0153 0.0221 -0.0191 57 LYS B C 467 O O . LYS A 58 ? 0.5245 0.4296 0.4333 -0.0146 0.0221 -0.0183 57 LYS B O 468 C CB . LYS A 58 ? 0.5560 0.4563 0.4640 -0.0150 0.0231 -0.0207 57 LYS B CB 469 C CG . LYS A 58 ? 0.5621 0.4627 0.4685 -0.0156 0.0243 -0.0228 57 LYS B CG 470 C CD . LYS A 58 ? 0.5680 0.4652 0.4745 -0.0149 0.0253 -0.0246 57 LYS B CD 471 C CE . LYS A 58 ? 0.5749 0.4728 0.4795 -0.0153 0.0265 -0.0271 57 LYS B CE 472 N NZ . LYS A 58 ? 0.5875 0.4806 0.4913 -0.0149 0.0272 -0.0294 57 LYS B NZ 473 N N . GLN A 59 ? 0.5227 0.4283 0.4278 -0.0162 0.0221 -0.0195 58 GLN B N 474 C CA . GLN A 59 ? 0.5147 0.4218 0.4191 -0.0166 0.0219 -0.0187 58 GLN B CA 475 C C . GLN A 59 ? 0.5076 0.4168 0.4109 -0.0175 0.0230 -0.0198 58 GLN B C 476 O O . GLN A 59 ? 0.5026 0.4120 0.4043 -0.0181 0.0233 -0.0208 58 GLN B O 477 C CB . GLN A 59 ? 0.5125 0.4191 0.4152 -0.0166 0.0204 -0.0175 58 GLN B CB 478 C CG . GLN A 59 ? 0.5144 0.4197 0.4180 -0.0157 0.0193 -0.0167 58 GLN B CG 479 C CD . GLN A 59 ? 0.5163 0.4207 0.4176 -0.0150 0.0178 -0.0161 58 GLN B CD 480 O OE1 . GLN A 59 ? 0.5267 0.4298 0.4264 -0.0150 0.0170 -0.0154 58 GLN B OE1 481 N NE2 . GLN A 59 ? 0.5053 0.4105 0.4065 -0.0141 0.0174 -0.0163 58 GLN B NE2 482 N N . GLN A 60 ? 0.4988 0.4101 0.4027 -0.0177 0.0236 -0.0194 59 GLN B N 483 C CA . GLN A 60 ? 0.4934 0.4079 0.3965 -0.0184 0.0247 -0.0203 59 GLN B CA 484 C C . GLN A 60 ? 0.4887 0.4059 0.3915 -0.0196 0.0242 -0.0183 59 GLN B C 485 O O . GLN A 60 ? 0.4831 0.4009 0.3874 -0.0196 0.0239 -0.0171 59 GLN B O 486 C CB . GLN A 60 ? 0.4948 0.4101 0.3994 -0.0171 0.0263 -0.0222 59 GLN B CB 487 C CG . GLN A 60 ? 0.4984 0.4107 0.4023 -0.0166 0.0270 -0.0246 59 GLN B CG 488 C CD . GLN A 60 ? 0.5028 0.4151 0.4077 -0.0148 0.0285 -0.0267 59 GLN B CD 489 O OE1 . GLN A 60 ? 0.5175 0.4301 0.4209 -0.0148 0.0296 -0.0291 59 GLN B OE1 490 N NE2 . GLN A 60 ? 0.4979 0.4098 0.4052 -0.0130 0.0286 -0.0258 59 GLN B NE2 491 N N . TRP A 61 ? 0.4841 0.4031 0.3849 -0.0208 0.0240 -0.0177 60 TRP B N 492 C CA . TRP A 61 ? 0.4763 0.3980 0.3765 -0.0224 0.0235 -0.0155 60 TRP B CA 493 C C . TRP A 61 ? 0.4797 0.4050 0.3780 -0.0235 0.0240 -0.0155 60 TRP B C 494 O O . TRP A 61 ? 0.4743 0.3996 0.3714 -0.0231 0.0245 -0.0171 60 TRP B O 495 C CB . TRP A 61 ? 0.4673 0.3849 0.3666 -0.0230 0.0215 -0.0131 60 TRP B CB 496 C CG . TRP A 61 ? 0.4628 0.3778 0.3598 -0.0226 0.0204 -0.0125 60 TRP B CG 497 C CD1 . TRP A 61 ? 0.4616 0.3770 0.3564 -0.0235 0.0196 -0.0107 60 TRP B CD1 498 C CD2 . TRP A 61 ? 0.4581 0.3702 0.3546 -0.0209 0.0199 -0.0135 60 TRP B CD2 499 N NE1 . TRP A 61 ? 0.4575 0.3706 0.3506 -0.0221 0.0188 -0.0106 60 TRP B NE1 500 C CE2 . TRP A 61 ? 0.4565 0.3679 0.3506 -0.0206 0.0190 -0.0124 60 TRP B CE2 501 C CE3 . TRP A 61 ? 0.4574 0.3679 0.3553 -0.0196 0.0202 -0.0150 60 TRP B CE3 502 C CZ2 . TRP A 61 ? 0.4567 0.3668 0.3498 -0.0189 0.0183 -0.0128 60 TRP B CZ2 503 C CZ3 . TRP A 61 ? 0.4569 0.3660 0.3539 -0.0184 0.0195 -0.0153 60 TRP B CZ3 504 C CH2 . TRP A 61 ? 0.4589 0.3681 0.3535 -0.0180 0.0186 -0.0143 60 TRP B CH2 505 N N . VAL A 62 ? 0.4863 0.4153 0.3842 -0.0252 0.0238 -0.0134 61 VAL B N 506 C CA . VAL A 62 ? 0.4891 0.4226 0.3853 -0.0265 0.0241 -0.0127 61 VAL B CA 507 C C . VAL A 62 ? 0.4870 0.4178 0.3812 -0.0276 0.0222 -0.0095 61 VAL B C 508 O O . VAL A 62 ? 0.4853 0.4136 0.3795 -0.0287 0.0209 -0.0071 61 VAL B O 509 C CB . VAL A 62 ? 0.4895 0.4303 0.3866 -0.0277 0.0253 -0.0125 61 VAL B CB 510 C CG1 . VAL A 62 ? 0.4910 0.4371 0.3863 -0.0295 0.0254 -0.0109 61 VAL B CG1 511 C CG2 . VAL A 62 ? 0.4867 0.4300 0.3852 -0.0258 0.0274 -0.0162 61 VAL B CG2 512 N N . ASP A 63 ? 0.4937 0.4247 0.3861 -0.0273 0.0220 -0.0094 62 ASP B N 513 C CA . ASP A 63 ? 0.5080 0.4370 0.3981 -0.0277 0.0203 -0.0062 62 ASP B CA 514 C C . ASP A 63 ? 0.5117 0.4474 0.4009 -0.0297 0.0208 -0.0046 62 ASP B C 515 O O . ASP A 63 ? 0.5101 0.4501 0.3984 -0.0295 0.0216 -0.0057 62 ASP B O 516 C CB . ASP A 63 ? 0.5097 0.4357 0.3984 -0.0257 0.0196 -0.0067 62 ASP B CB 517 C CG . ASP A 63 ? 0.5195 0.4424 0.4058 -0.0252 0.0177 -0.0033 62 ASP B CG 518 O OD1 . ASP A 63 ? 0.5269 0.4522 0.4122 -0.0269 0.0173 -0.0006 62 ASP B OD1 519 O OD2 . ASP A 63 ? 0.5182 0.4365 0.4036 -0.0230 0.0166 -0.0033 62 ASP B OD2 520 N N . TYR A 64 ? 0.5223 0.4593 0.4116 -0.0318 0.0201 -0.0018 63 TYR B N 521 C CA . TYR A 64 ? 0.5385 0.4822 0.4269 -0.0341 0.0203 0.0005 63 TYR B CA 522 C C . TYR A 64 ? 0.5312 0.4774 0.4175 -0.0338 0.0201 0.0016 63 TYR B C 523 O O . TYR A 64 ? 0.5248 0.4789 0.4110 -0.0347 0.0214 0.0008 63 TYR B O 524 C CB . TYR A 64 ? 0.5565 0.4977 0.4443 -0.0366 0.0184 0.0047 63 TYR B CB 525 C CG . TYR A 64 ? 0.5716 0.5192 0.4583 -0.0394 0.0181 0.0083 63 TYR B CG 526 C CD1 . TYR A 64 ? 0.5819 0.5395 0.4700 -0.0411 0.0198 0.0077 63 TYR B CD1 527 C CD2 . TYR A 64 ? 0.5802 0.5241 0.4644 -0.0403 0.0161 0.0124 63 TYR B CD2 528 C CE1 . TYR A 64 ? 0.5903 0.5550 0.4775 -0.0440 0.0195 0.0112 63 TYR B CE1 529 C CE2 . TYR A 64 ? 0.5935 0.5435 0.4768 -0.0432 0.0157 0.0162 63 TYR B CE2 530 C CZ . TYR A 64 ? 0.5969 0.5578 0.4817 -0.0453 0.0174 0.0157 63 TYR B CZ 531 O OH . TYR A 64 ? 0.5964 0.5646 0.4804 -0.0484 0.0170 0.0197 63 TYR B OH 532 N N . ASN A 65 ? 0.5213 0.4613 0.4060 -0.0323 0.0184 0.0032 64 ASN B N 533 C CA . ASN A 65 ? 0.5162 0.4585 0.3988 -0.0317 0.0179 0.0052 64 ASN B CA 534 C C . ASN A 65 ? 0.5023 0.4482 0.3848 -0.0301 0.0192 0.0020 64 ASN B C 535 O O . ASN A 65 ? 0.4957 0.4441 0.3765 -0.0294 0.0187 0.0035 64 ASN B O 536 C CB . ASN A 65 ? 0.5275 0.4617 0.4082 -0.0303 0.0155 0.0084 64 ASN B CB 537 C CG . ASN A 65 ? 0.5373 0.4686 0.4169 -0.0328 0.0139 0.0127 64 ASN B CG 538 O OD1 . ASN A 65 ? 0.5518 0.4893 0.4311 -0.0352 0.0141 0.0152 64 ASN B OD1 539 N ND2 . ASN A 65 ? 0.5386 0.4608 0.4176 -0.0325 0.0122 0.0135 64 ASN B ND2 540 N N . LEU A 66 ? 0.4921 0.4383 0.3762 -0.0296 0.0207 -0.0021 65 LEU B N 541 C CA . LEU A 66 ? 0.4873 0.4363 0.3711 -0.0288 0.0217 -0.0053 65 LEU B CA 542 C C . LEU A 66 ? 0.4813 0.4371 0.3655 -0.0303 0.0237 -0.0085 65 LEU B C 543 O O . LEU A 66 ? 0.4762 0.4327 0.3601 -0.0301 0.0246 -0.0118 65 LEU B O 544 C CB . LEU A 66 ? 0.4888 0.4313 0.3736 -0.0269 0.0215 -0.0076 65 LEU B CB 545 C CG . LEU A 66 ? 0.4892 0.4259 0.3733 -0.0247 0.0197 -0.0054 65 LEU B CG 546 C CD1 . LEU A 66 ? 0.4911 0.4233 0.3763 -0.0232 0.0198 -0.0079 65 LEU B CD1 547 C CD2 . LEU A 66 ? 0.4891 0.4290 0.3711 -0.0237 0.0190 -0.0037 65 LEU B CD2 548 N N . LYS A 67 ? 0.4851 0.4460 0.3694 -0.0320 0.0243 -0.0075 66 LYS B N 549 C CA . LYS A 67 ? 0.4885 0.4566 0.3728 -0.0331 0.0262 -0.0106 66 LYS B CA 550 C C . LYS A 67 ? 0.4822 0.4571 0.3644 -0.0341 0.0264 -0.0106 66 LYS B C 551 O O . LYS A 67 ? 0.4811 0.4569 0.3622 -0.0343 0.0251 -0.0069 66 LYS B O 552 C CB . LYS A 67 ? 0.4991 0.4720 0.3843 -0.0344 0.0267 -0.0093 66 LYS B CB 553 C CG . LYS A 67 ? 0.5093 0.4778 0.3967 -0.0336 0.0269 -0.0101 66 LYS B CG 554 C CD . LYS A 67 ? 0.5238 0.4946 0.4120 -0.0353 0.0261 -0.0062 66 LYS B CD 555 C CE . LYS A 67 ? 0.5340 0.5132 0.4233 -0.0359 0.0279 -0.0079 66 LYS B CE 556 N NZ . LYS A 67 ? 0.5412 0.5176 0.4324 -0.0338 0.0290 -0.0114 66 LYS B NZ 557 N N . TRP A 68 ? 0.4765 0.4558 0.3580 -0.0348 0.0280 -0.0148 67 TRP B N 558 C CA . TRP A 68 ? 0.4741 0.4618 0.3535 -0.0364 0.0285 -0.0151 67 TRP B CA 559 C C . TRP A 68 ? 0.4650 0.4589 0.3438 -0.0374 0.0304 -0.0194 67 TRP B C 560 O O . TRP A 68 ? 0.4651 0.4560 0.3449 -0.0363 0.0314 -0.0228 67 TRP B O 561 C CB . TRP A 68 ? 0.4749 0.4616 0.3529 -0.0363 0.0278 -0.0156 67 TRP B CB 562 C CG . TRP A 68 ? 0.4752 0.4582 0.3528 -0.0363 0.0286 -0.0206 67 TRP B CG 563 C CD1 . TRP A 68 ? 0.4765 0.4634 0.3523 -0.0379 0.0298 -0.0249 67 TRP B CD1 564 C CD2 . TRP A 68 ? 0.4755 0.4498 0.3544 -0.0349 0.0282 -0.0218 67 TRP B CD2 565 N NE1 . TRP A 68 ? 0.4781 0.4585 0.3539 -0.0377 0.0300 -0.0286 67 TRP B NE1 566 C CE2 . TRP A 68 ? 0.4765 0.4495 0.3544 -0.0358 0.0291 -0.0265 67 TRP B CE2 567 C CE3 . TRP A 68 ? 0.4736 0.4411 0.3543 -0.0330 0.0271 -0.0193 67 TRP B CE3 568 C CZ2 . TRP A 68 ? 0.4751 0.4404 0.3538 -0.0350 0.0288 -0.0284 67 TRP B CZ2 569 C CZ3 . TRP A 68 ? 0.4683 0.4290 0.3499 -0.0320 0.0269 -0.0214 67 TRP B CZ3 570 C CH2 . TRP A 68 ? 0.4708 0.4305 0.3515 -0.0331 0.0278 -0.0256 67 TRP B CH2 571 N N . ASN A 69 ? 0.4634 0.4662 0.3403 -0.0391 0.0308 -0.0193 68 ASN B N 572 C CA . ASN A 69 ? 0.4643 0.4742 0.3398 -0.0400 0.0325 -0.0236 68 ASN B CA 573 C C . ASN A 69 ? 0.4647 0.4734 0.3380 -0.0408 0.0328 -0.0280 68 ASN B C 574 O O . ASN A 69 ? 0.4631 0.4752 0.3350 -0.0422 0.0320 -0.0262 68 ASN B O 575 C CB . ASN A 69 ? 0.4643 0.4857 0.3389 -0.0419 0.0326 -0.0204 68 ASN B CB 576 C CG . ASN A 69 ? 0.4672 0.4972 0.3406 -0.0425 0.0345 -0.0247 68 ASN B CG 577 O OD1 . ASN A 69 ? 0.4687 0.4968 0.3407 -0.0421 0.0356 -0.0307 68 ASN B OD1 578 N ND2 . ASN A 69 ? 0.4641 0.5035 0.3377 -0.0436 0.0347 -0.0217 68 ASN B ND2 579 N N . PRO A 70 ? 0.4679 0.4715 0.3409 -0.0401 0.0339 -0.0335 69 PRO B N 580 C CA . PRO A 70 ? 0.4722 0.4734 0.3428 -0.0415 0.0339 -0.0374 69 PRO B CA 581 C C . PRO A 70 ? 0.4781 0.4891 0.3457 -0.0442 0.0342 -0.0387 69 PRO B C 582 O O . PRO A 70 ? 0.4821 0.4931 0.3479 -0.0461 0.0335 -0.0394 69 PRO B O 583 C CB . PRO A 70 ? 0.4734 0.4677 0.3437 -0.0401 0.0351 -0.0431 69 PRO B CB 584 C CG . PRO A 70 ? 0.4700 0.4609 0.3435 -0.0374 0.0353 -0.0410 69 PRO B CG 585 C CD . PRO A 70 ? 0.4671 0.4660 0.3418 -0.0379 0.0349 -0.0359 69 PRO B CD 586 N N . ASP A 71 ? 0.4827 0.5029 0.3497 -0.0446 0.0352 -0.0387 70 ASP B N 587 C CA . ASP A 71 ? 0.4887 0.5197 0.3529 -0.0472 0.0355 -0.0396 70 ASP B CA 588 C C . ASP A 71 ? 0.4850 0.5208 0.3490 -0.0487 0.0340 -0.0343 70 ASP B C 589 O O . ASP A 71 ? 0.4831 0.5250 0.3445 -0.0511 0.0339 -0.0356 70 ASP B O 590 C CB . ASP A 71 ? 0.4970 0.5380 0.3610 -0.0472 0.0368 -0.0397 70 ASP B CB 591 C CG . ASP A 71 ? 0.5075 0.5480 0.3699 -0.0462 0.0385 -0.0468 70 ASP B CG 592 O OD1 . ASP A 71 ? 0.5251 0.5550 0.3876 -0.0446 0.0388 -0.0505 70 ASP B OD1 593 O OD2 . ASP A 71 ? 0.5161 0.5669 0.3769 -0.0468 0.0397 -0.0486 70 ASP B OD2 594 N N . ASP A 72 ? 0.4824 0.5154 0.3490 -0.0471 0.0329 -0.0284 71 ASP B N 595 C CA . ASP A 72 ? 0.4785 0.5148 0.3449 -0.0475 0.0313 -0.0230 71 ASP B CA 596 C C . ASP A 72 ? 0.4748 0.5068 0.3405 -0.0478 0.0304 -0.0238 71 ASP B C 597 O O . ASP A 72 ? 0.4708 0.5082 0.3357 -0.0483 0.0295 -0.0205 71 ASP B O 598 C CB . ASP A 72 ? 0.4755 0.5080 0.3444 -0.0454 0.0302 -0.0169 71 ASP B CB 599 C CG . ASP A 72 ? 0.4777 0.5172 0.3472 -0.0460 0.0306 -0.0143 71 ASP B CG 600 O OD1 . ASP A 72 ? 0.4840 0.5339 0.3519 -0.0479 0.0316 -0.0156 71 ASP B OD1 601 O OD2 . ASP A 72 ? 0.4791 0.5141 0.3505 -0.0448 0.0299 -0.0107 71 ASP B OD2 602 N N . TYR A 73 ? 0.4733 0.4960 0.3393 -0.0473 0.0307 -0.0279 72 TYR B N 603 C CA . TYR A 73 ? 0.4731 0.4913 0.3386 -0.0477 0.0297 -0.0283 72 TYR B CA 604 C C . TYR A 73 ? 0.4799 0.4953 0.3432 -0.0501 0.0305 -0.0346 72 TYR B C 605 O O . TYR A 73 ? 0.4743 0.4810 0.3381 -0.0498 0.0302 -0.0366 72 TYR B O 606 C CB . TYR A 73 ? 0.4651 0.4738 0.3333 -0.0447 0.0288 -0.0253 72 TYR B CB 607 C CG . TYR A 73 ? 0.4606 0.4714 0.3303 -0.0426 0.0279 -0.0193 72 TYR B CG 608 C CD1 . TYR A 73 ? 0.4582 0.4731 0.3274 -0.0419 0.0266 -0.0150 72 TYR B CD1 609 C CD2 . TYR A 73 ? 0.4630 0.4723 0.3342 -0.0415 0.0282 -0.0179 72 TYR B CD2 610 C CE1 . TYR A 73 ? 0.4589 0.4745 0.3289 -0.0400 0.0256 -0.0095 72 TYR B CE1 611 C CE2 . TYR A 73 ? 0.4625 0.4729 0.3345 -0.0403 0.0272 -0.0123 72 TYR B CE2 612 C CZ . TYR A 73 ? 0.4614 0.4743 0.3328 -0.0394 0.0258 -0.0081 72 TYR B CZ 613 O OH . TYR A 73 ? 0.4622 0.4749 0.3340 -0.0381 0.0247 -0.0025 72 TYR B OH 614 N N . GLY A 74 ? 0.4886 0.5114 0.3493 -0.0525 0.0314 -0.0379 73 GLY B N 615 C CA . GLY A 74 ? 0.4988 0.5196 0.3564 -0.0554 0.0319 -0.0441 73 GLY B CA 616 C C . GLY A 74 ? 0.5076 0.5171 0.3653 -0.0540 0.0327 -0.0489 73 GLY B C 617 O O . GLY A 74 ? 0.5175 0.5216 0.3730 -0.0561 0.0325 -0.0532 73 GLY B O 618 N N . GLY A 75 ? 0.5125 0.5186 0.3729 -0.0506 0.0334 -0.0479 74 GLY B N 619 C CA . GLY A 75 ? 0.5198 0.5158 0.3809 -0.0486 0.0341 -0.0517 74 GLY B CA 620 C C . GLY A 75 ? 0.5265 0.5121 0.3900 -0.0470 0.0332 -0.0499 74 GLY B C 621 O O . GLY A 75 ? 0.5396 0.5163 0.4032 -0.0457 0.0336 -0.0533 74 GLY B O 622 N N . VAL A 76 ? 0.5271 0.5138 0.3924 -0.0469 0.0319 -0.0448 75 VAL B N 623 C CA . VAL A 76 ? 0.5356 0.5135 0.4032 -0.0452 0.0309 -0.0429 75 VAL B CA 624 C C . VAL A 76 ? 0.5462 0.5194 0.4168 -0.0417 0.0315 -0.0418 75 VAL B C 625 O O . VAL A 76 ? 0.5525 0.5304 0.4246 -0.0405 0.0316 -0.0386 75 VAL B O 626 C CB . VAL A 76 ? 0.5269 0.5079 0.3954 -0.0453 0.0295 -0.0378 75 VAL B CB 627 C CG1 . VAL A 76 ? 0.5214 0.4945 0.3926 -0.0429 0.0286 -0.0355 75 VAL B CG1 628 C CG2 . VAL A 76 ? 0.5271 0.5122 0.3929 -0.0488 0.0288 -0.0388 75 VAL B CG2 629 N N . LYS A 77 ? 0.5620 0.5262 0.4334 -0.0405 0.0318 -0.0443 76 LYS B N 630 C CA . LYS A 77 ? 0.5766 0.5367 0.4509 -0.0372 0.0323 -0.0435 76 LYS B CA 631 C C . LYS A 77 ? 0.5735 0.5270 0.4504 -0.0357 0.0312 -0.0404 76 LYS B C 632 O O . LYS A 77 ? 0.5725 0.5237 0.4519 -0.0333 0.0314 -0.0389 76 LYS B O 633 C CB . LYS A 77 ? 0.5969 0.5523 0.4704 -0.0361 0.0336 -0.0486 76 LYS B CB 634 C CG . LYS A 77 ? 0.6142 0.5760 0.4851 -0.0368 0.0349 -0.0523 76 LYS B CG 635 C CD . LYS A 77 ? 0.6395 0.5957 0.5097 -0.0346 0.0362 -0.0574 76 LYS B CD 636 C CE . LYS A 77 ? 0.6656 0.6249 0.5316 -0.0360 0.0372 -0.0629 76 LYS B CE 637 N NZ . LYS A 77 ? 0.6754 0.6472 0.5409 -0.0367 0.0380 -0.0618 76 LYS B NZ 638 N N . LYS A 78 ? 0.5753 0.5267 0.4517 -0.0371 0.0300 -0.0395 77 LYS B N 639 C CA . LYS A 78 ? 0.5797 0.5262 0.4583 -0.0356 0.0289 -0.0365 77 LYS B CA 640 C C . LYS A 78 ? 0.5768 0.5253 0.4544 -0.0372 0.0276 -0.0346 77 LYS B C 641 O O . LYS A 78 ? 0.5796 0.5306 0.4548 -0.0400 0.0275 -0.0365 77 LYS B O 642 C CB . LYS A 78 ? 0.5970 0.5351 0.4768 -0.0344 0.0292 -0.0387 77 LYS B CB 643 C CG . LYS A 78 ? 0.6147 0.5486 0.4922 -0.0367 0.0291 -0.0422 77 LYS B CG 644 C CD . LYS A 78 ? 0.6346 0.5601 0.5129 -0.0350 0.0297 -0.0449 77 LYS B CD 645 C CE . LYS A 78 ? 0.6554 0.5744 0.5316 -0.0374 0.0290 -0.0472 77 LYS B CE 646 N NZ . LYS A 78 ? 0.6692 0.5901 0.5415 -0.0406 0.0293 -0.0509 77 LYS B NZ 647 N N . ILE A 79 ? 0.5703 0.5181 0.4497 -0.0354 0.0265 -0.0309 78 ILE B N 648 C CA . ILE A 79 ? 0.5674 0.5179 0.4462 -0.0359 0.0252 -0.0286 78 ILE B CA 649 C C . ILE A 79 ? 0.5602 0.5055 0.4411 -0.0338 0.0243 -0.0268 78 ILE B C 650 O O . ILE A 79 ? 0.5432 0.4839 0.4260 -0.0317 0.0245 -0.0263 78 ILE B O 651 C CB . ILE A 79 ? 0.5636 0.5214 0.4417 -0.0353 0.0247 -0.0253 78 ILE B CB 652 C CG1 . ILE A 79 ? 0.5614 0.5173 0.4412 -0.0324 0.0245 -0.0226 78 ILE B CG1 653 C CG2 . ILE A 79 ? 0.5671 0.5316 0.4429 -0.0378 0.0255 -0.0268 78 ILE B CG2 654 C CD1 . ILE A 79 ? 0.5642 0.5255 0.4432 -0.0314 0.0237 -0.0188 78 ILE B CD1 655 N N . HIS A 80 ? 0.5657 0.5126 0.4460 -0.0346 0.0233 -0.0258 79 HIS B N 656 C CA . HIS A 80 ? 0.5682 0.5123 0.4502 -0.0325 0.0223 -0.0239 79 HIS B CA 657 C C . HIS A 80 ? 0.5644 0.5130 0.4462 -0.0301 0.0214 -0.0205 79 HIS B C 658 O O . HIS A 80 ? 0.5728 0.5282 0.4529 -0.0310 0.0211 -0.0196 79 HIS B O 659 C CB . HIS A 80 ? 0.5707 0.5144 0.4521 -0.0349 0.0217 -0.0246 79 HIS B CB 660 C CG . HIS A 80 ? 0.5844 0.5217 0.4658 -0.0369 0.0224 -0.0277 79 HIS B CG 661 N ND1 . HIS A 80 ? 0.5880 0.5184 0.4715 -0.0352 0.0225 -0.0281 79 HIS B ND1 662 C CD2 . HIS A 80 ? 0.5953 0.5318 0.4746 -0.0403 0.0228 -0.0306 79 HIS B CD2 663 C CE1 . HIS A 80 ? 0.5944 0.5197 0.4772 -0.0371 0.0231 -0.0309 79 HIS B CE1 664 N NE2 . HIS A 80 ? 0.6086 0.5370 0.4887 -0.0402 0.0232 -0.0327 79 HIS B NE2 665 N N . ILE A 81 ? 0.5677 0.5126 0.4509 -0.0270 0.0210 -0.0188 80 ILE B N 666 C CA . ILE A 81 ? 0.5655 0.5130 0.4482 -0.0241 0.0199 -0.0159 80 ILE B CA 667 C C . ILE A 81 ? 0.5497 0.4933 0.4337 -0.0215 0.0190 -0.0150 80 ILE B C 668 O O . ILE A 81 ? 0.5449 0.4829 0.4305 -0.0216 0.0193 -0.0162 80 ILE B O 669 C CB . ILE A 81 ? 0.5776 0.5247 0.4600 -0.0228 0.0200 -0.0142 80 ILE B CB 670 C CG1 . ILE A 81 ? 0.5830 0.5230 0.4670 -0.0218 0.0201 -0.0144 80 ILE B CG1 671 C CG2 . ILE A 81 ? 0.5767 0.5286 0.4579 -0.0254 0.0209 -0.0151 80 ILE B CG2 672 C CD1 . ILE A 81 ? 0.5929 0.5319 0.4763 -0.0205 0.0196 -0.0120 80 ILE B CD1 673 N N . PRO A 82 ? 0.5405 0.4874 0.4235 -0.0189 0.0180 -0.0130 81 PRO B N 674 C CA . PRO A 82 ? 0.5302 0.4743 0.4140 -0.0161 0.0171 -0.0125 81 PRO B CA 675 C C . PRO A 82 ? 0.5213 0.4581 0.4060 -0.0140 0.0168 -0.0122 81 PRO B C 676 O O . PRO A 82 ? 0.5267 0.4619 0.4104 -0.0129 0.0165 -0.0109 81 PRO B O 677 C CB . PRO A 82 ? 0.5322 0.4823 0.4144 -0.0131 0.0161 -0.0104 81 PRO B CB 678 C CG . PRO A 82 ? 0.5331 0.4904 0.4140 -0.0154 0.0166 -0.0101 81 PRO B CG 679 C CD . PRO A 82 ? 0.5379 0.4919 0.4191 -0.0180 0.0176 -0.0112 81 PRO B CD 680 N N . SER A 83 ? 0.5093 0.4417 0.3956 -0.0139 0.0167 -0.0132 82 SER B N 681 C CA . SER A 83 ? 0.5094 0.4352 0.3963 -0.0124 0.0163 -0.0130 82 SER B CA 682 C C . SER A 83 ? 0.5068 0.4307 0.3919 -0.0088 0.0150 -0.0114 82 SER B C 683 O O . SER A 83 ? 0.5012 0.4197 0.3860 -0.0083 0.0145 -0.0108 82 SER B O 684 C CB . SER A 83 ? 0.5038 0.4263 0.3927 -0.0127 0.0164 -0.0141 82 SER B CB 685 O OG . SER A 83 ? 0.5031 0.4290 0.3921 -0.0118 0.0159 -0.0141 82 SER B OG 686 N N . GLU A 84 ? 0.5126 0.4408 0.3962 -0.0063 0.0143 -0.0106 83 GLU B N 687 C CA . GLU A 84 ? 0.5260 0.4519 0.4074 -0.0022 0.0130 -0.0092 83 GLU B CA 688 C C . GLU A 84 ? 0.5271 0.4513 0.4069 -0.0021 0.0127 -0.0074 83 GLU B C 689 O O . GLU A 84 ? 0.5416 0.4605 0.4196 0.0006 0.0115 -0.0062 83 GLU B O 690 C CB . GLU A 84 ? 0.5301 0.4625 0.4103 0.0009 0.0124 -0.0087 83 GLU B CB 691 C CG . GLU A 84 ? 0.5339 0.4682 0.4154 0.0014 0.0123 -0.0100 83 GLU B CG 692 C CD . GLU A 84 ? 0.5357 0.4766 0.4188 -0.0021 0.0132 -0.0105 83 GLU B CD 693 O OE1 . GLU A 84 ? 0.5358 0.4795 0.4197 -0.0019 0.0130 -0.0109 83 GLU B OE1 694 O OE2 . GLU A 84 ? 0.5348 0.4779 0.4181 -0.0054 0.0140 -0.0104 83 GLU B OE2 695 N N . LYS A 85 ? 0.5212 0.4493 0.4014 -0.0051 0.0138 -0.0071 84 LYS B N 696 C CA . LYS A 85 ? 0.5253 0.4531 0.4041 -0.0052 0.0135 -0.0050 84 LYS B CA 697 C C . LYS A 85 ? 0.5136 0.4351 0.3929 -0.0072 0.0135 -0.0046 84 LYS B C 698 O O . LYS A 85 ? 0.5219 0.4424 0.3998 -0.0072 0.0130 -0.0023 84 LYS B O 699 C CB . LYS A 85 ? 0.5384 0.4743 0.4172 -0.0078 0.0146 -0.0048 84 LYS B CB 700 C CG . LYS A 85 ? 0.5544 0.4981 0.4326 -0.0065 0.0146 -0.0048 84 LYS B CG 701 C CD . LYS A 85 ? 0.5674 0.5184 0.4441 -0.0066 0.0147 -0.0028 84 LYS B CD 702 C CE . LYS A 85 ? 0.5759 0.5305 0.4532 -0.0111 0.0159 -0.0038 84 LYS B CE 703 N NZ . LYS A 85 ? 0.5924 0.5541 0.4680 -0.0109 0.0158 -0.0014 84 LYS B NZ 704 N N . ILE A 86 ? 0.4967 0.4147 0.3779 -0.0090 0.0140 -0.0063 85 ILE B N 705 C CA . ILE A 86 ? 0.4884 0.4028 0.3705 -0.0116 0.0142 -0.0060 85 ILE B CA 706 C C . ILE A 86 ? 0.4856 0.3925 0.3676 -0.0109 0.0131 -0.0059 85 ILE B C 707 O O . ILE A 86 ? 0.4827 0.3871 0.3646 -0.0086 0.0124 -0.0069 85 ILE B O 708 C CB . ILE A 86 ? 0.4810 0.3989 0.3654 -0.0147 0.0160 -0.0080 85 ILE B CB 709 C CG1 . ILE A 86 ? 0.4784 0.3950 0.3648 -0.0146 0.0164 -0.0103 85 ILE B CG1 710 C CG2 . ILE A 86 ? 0.4776 0.4025 0.3615 -0.0160 0.0170 -0.0084 85 ILE B CG2 711 C CD1 . ILE A 86 ? 0.4769 0.3947 0.3652 -0.0171 0.0180 -0.0122 85 ILE B CD1 712 N N . TRP A 87 ? 0.4865 0.3904 0.3685 -0.0131 0.0128 -0.0047 86 TRP B N 713 C CA . TRP A 87 ? 0.4925 0.3905 0.3750 -0.0138 0.0120 -0.0050 86 TRP B CA 714 C C . TRP A 87 ? 0.4974 0.3974 0.3828 -0.0145 0.0132 -0.0075 86 TRP B C 715 O O . TRP A 87 ? 0.4841 0.3891 0.3714 -0.0159 0.0149 -0.0086 86 TRP B O 716 C CB . TRP A 87 ? 0.4857 0.3821 0.3681 -0.0168 0.0116 -0.0030 86 TRP B CB 717 C CG . TRP A 87 ? 0.4794 0.3705 0.3620 -0.0181 0.0107 -0.0031 86 TRP B CG 718 C CD1 . TRP A 87 ? 0.4844 0.3678 0.3646 -0.0176 0.0086 -0.0020 86 TRP B CD1 719 C CD2 . TRP A 87 ? 0.4737 0.3669 0.3592 -0.0201 0.0117 -0.0045 86 TRP B CD2 720 N NE1 . TRP A 87 ? 0.4813 0.3623 0.3625 -0.0197 0.0082 -0.0026 86 TRP B NE1 721 C CE2 . TRP A 87 ? 0.4743 0.3618 0.3590 -0.0211 0.0102 -0.0039 86 TRP B CE2 722 C CE3 . TRP A 87 ? 0.4658 0.3650 0.3542 -0.0210 0.0138 -0.0061 86 TRP B CE3 723 C CZ2 . TRP A 87 ? 0.4708 0.3596 0.3578 -0.0230 0.0106 -0.0047 86 TRP B CZ2 724 C CZ3 . TRP A 87 ? 0.4618 0.3616 0.3524 -0.0223 0.0142 -0.0069 86 TRP B CZ3 725 C CH2 . TRP A 87 ? 0.4654 0.3607 0.3555 -0.0233 0.0127 -0.0061 86 TRP B CH2 726 N N . ARG A 88 ? 0.5166 0.4124 0.4022 -0.0134 0.0124 -0.0083 87 ARG B N 727 C CA . ARG A 88 ? 0.5292 0.4261 0.4175 -0.0141 0.0132 -0.0102 87 ARG B CA 728 C C . ARG A 88 ? 0.5388 0.4307 0.4269 -0.0149 0.0120 -0.0099 87 ARG B C 729 O O . ARG A 88 ? 0.5433 0.4300 0.4288 -0.0142 0.0103 -0.0089 87 ARG B O 730 C CB . ARG A 88 ? 0.5340 0.4327 0.4226 -0.0117 0.0133 -0.0116 87 ARG B CB 731 C CG . ARG A 88 ? 0.5430 0.4466 0.4309 -0.0111 0.0140 -0.0116 87 ARG B CG 732 C CD . ARG A 88 ? 0.5498 0.4562 0.4380 -0.0093 0.0140 -0.0126 87 ARG B CD 733 N NE . ARG A 88 ? 0.5648 0.4688 0.4510 -0.0061 0.0125 -0.0123 87 ARG B NE 734 C CZ . ARG A 88 ? 0.5820 0.4861 0.4656 -0.0035 0.0116 -0.0113 87 ARG B CZ 735 N NH1 . ARG A 88 ? 0.5886 0.4957 0.4714 -0.0041 0.0120 -0.0100 87 ARG B NH1 736 N NH2 . ARG A 88 ? 0.5890 0.4903 0.4706 -0.0001 0.0102 -0.0115 87 ARG B NH2 737 N N . PRO A 89 ? 0.5501 0.4437 0.4410 -0.0164 0.0129 -0.0107 88 PRO B N 738 C CA . PRO A 89 ? 0.5613 0.4515 0.4522 -0.0175 0.0118 -0.0105 88 PRO B CA 739 C C . PRO A 89 ? 0.5806 0.4675 0.4706 -0.0154 0.0106 -0.0116 88 PRO B C 740 O O . PRO A 89 ? 0.6050 0.4889 0.4946 -0.0164 0.0095 -0.0116 88 PRO B O 741 C CB . PRO A 89 ? 0.5505 0.4451 0.4449 -0.0191 0.0134 -0.0110 88 PRO B CB 742 C CG . PRO A 89 ? 0.5449 0.4430 0.4407 -0.0177 0.0149 -0.0123 88 PRO B CG 743 C CD . PRO A 89 ? 0.5473 0.4458 0.4410 -0.0171 0.0148 -0.0118 88 PRO B CD 744 N N . ASP A 90 ? 0.5885 0.4769 0.4781 -0.0126 0.0108 -0.0126 89 ASP B N 745 C CA . ASP A 90 ? 0.6012 0.4879 0.4898 -0.0102 0.0097 -0.0138 89 ASP B CA 746 C C . ASP A 90 ? 0.5990 0.4872 0.4901 -0.0114 0.0100 -0.0146 89 ASP B C 747 O O . ASP A 90 ? 0.6043 0.4894 0.4945 -0.0116 0.0087 -0.0150 89 ASP B O 748 C CB . ASP A 90 ? 0.6206 0.5006 0.5053 -0.0089 0.0077 -0.0136 89 ASP B CB 749 C CG . ASP A 90 ? 0.6325 0.5117 0.5153 -0.0051 0.0067 -0.0152 89 ASP B CG 750 O OD1 . ASP A 90 ? 0.6405 0.5252 0.5250 -0.0037 0.0076 -0.0160 89 ASP B OD1 751 O OD2 . ASP A 90 ? 0.6492 0.5221 0.5284 -0.0034 0.0050 -0.0156 89 ASP B OD2 752 N N . LEU A 91 ? 0.5898 0.4828 0.4841 -0.0121 0.0116 -0.0147 90 LEU B N 753 C CA . LEU A 91 ? 0.5850 0.4803 0.4822 -0.0129 0.0122 -0.0150 90 LEU B CA 754 C C . LEU A 91 ? 0.5766 0.4739 0.4742 -0.0109 0.0119 -0.0158 90 LEU B C 755 O O . LEU A 91 ? 0.5655 0.4650 0.4628 -0.0096 0.0122 -0.0160 90 LEU B O 756 C CB . LEU A 91 ? 0.5870 0.4854 0.4868 -0.0142 0.0140 -0.0147 90 LEU B CB 757 C CG . LEU A 91 ? 0.5974 0.4982 0.5004 -0.0150 0.0149 -0.0145 90 LEU B CG 758 C CD1 . LEU A 91 ? 0.6055 0.5057 0.5087 -0.0166 0.0141 -0.0138 90 LEU B CD1 759 C CD2 . LEU A 91 ? 0.6056 0.5085 0.5100 -0.0156 0.0166 -0.0147 90 LEU B CD2 760 N N . VAL A 92 ? 0.5718 0.4693 0.4701 -0.0109 0.0112 -0.0161 91 VAL B N 761 C CA . VAL A 92 ? 0.5726 0.4726 0.4710 -0.0090 0.0107 -0.0167 91 VAL B CA 762 C C . VAL A 92 ? 0.5711 0.4744 0.4725 -0.0098 0.0110 -0.0163 91 VAL B C 763 O O . VAL A 92 ? 0.5592 0.4622 0.4621 -0.0115 0.0112 -0.0158 91 VAL B O 764 C CB . VAL A 92 ? 0.5755 0.4725 0.4704 -0.0070 0.0089 -0.0179 91 VAL B CB 765 C CG1 . VAL A 92 ? 0.5810 0.4754 0.4729 -0.0054 0.0086 -0.0181 91 VAL B CG1 766 C CG2 . VAL A 92 ? 0.5788 0.4716 0.4724 -0.0085 0.0077 -0.0183 91 VAL B CG2 767 N N . LEU A 93 ? 0.5907 0.4978 0.4930 -0.0086 0.0110 -0.0162 92 LEU B N 768 C CA . LEU A 93 ? 0.6110 0.5217 0.5161 -0.0090 0.0112 -0.0155 92 LEU B CA 769 C C . LEU A 93 ? 0.6139 0.5259 0.5176 -0.0079 0.0098 -0.0164 92 LEU B C 770 O O . LEU A 93 ? 0.5957 0.5076 0.4966 -0.0059 0.0089 -0.0176 92 LEU B O 771 C CB . LEU A 93 ? 0.6284 0.5427 0.5353 -0.0088 0.0120 -0.0144 92 LEU B CB 772 C CG . LEU A 93 ? 0.6345 0.5480 0.5435 -0.0101 0.0134 -0.0135 92 LEU B CG 773 C CD1 . LEU A 93 ? 0.6374 0.5529 0.5465 -0.0102 0.0137 -0.0130 92 LEU B CD1 774 C CD2 . LEU A 93 ? 0.6384 0.5530 0.5505 -0.0106 0.0139 -0.0123 92 LEU B CD2 775 N N . TYR A 94 ? 0.6393 0.5531 0.5446 -0.0088 0.0095 -0.0160 93 TYR B N 776 C CA . TYR A 94 ? 0.6625 0.5776 0.5661 -0.0081 0.0081 -0.0172 93 TYR B CA 777 C C . TYR A 94 ? 0.6874 0.6077 0.5940 -0.0091 0.0081 -0.0160 93 TYR B C 778 O O . TYR A 94 ? 0.6635 0.5859 0.5734 -0.0100 0.0092 -0.0140 93 TYR B O 779 C CB . TYR A 94 ? 0.6578 0.5669 0.5578 -0.0085 0.0068 -0.0189 93 TYR B CB 780 C CG . TYR A 94 ? 0.6541 0.5603 0.5548 -0.0113 0.0070 -0.0181 93 TYR B CG 781 C CD1 . TYR A 94 ? 0.6492 0.5524 0.5500 -0.0121 0.0079 -0.0174 93 TYR B CD1 782 C CD2 . TYR A 94 ? 0.6505 0.5579 0.5517 -0.0133 0.0063 -0.0181 93 TYR B CD2 783 C CE1 . TYR A 94 ? 0.6513 0.5532 0.5528 -0.0148 0.0081 -0.0165 93 TYR B CE1 784 C CE2 . TYR A 94 ? 0.6455 0.5517 0.5474 -0.0161 0.0064 -0.0171 93 TYR B CE2 785 C CZ . TYR A 94 ? 0.6455 0.5490 0.5475 -0.0168 0.0073 -0.0162 93 TYR B CZ 786 O OH . TYR A 94 ? 0.6412 0.5448 0.5440 -0.0196 0.0074 -0.0151 93 TYR B OH 787 N N . ASN A 95 ? 0.7486 0.6706 0.6536 -0.0087 0.0068 -0.0172 94 ASN B N 788 C CA . ASN A 95 ? 0.7950 0.7241 0.7019 -0.0084 0.0066 -0.0164 94 ASN B CA 789 C C . ASN A 95 ? 0.8344 0.7679 0.7424 -0.0068 0.0071 -0.0152 94 ASN B C 790 O O . ASN A 95 ? 0.8277 0.7666 0.7387 -0.0072 0.0075 -0.0130 94 ASN B O 791 C CB . ASN A 95 ? 0.8025 0.7348 0.7127 -0.0104 0.0069 -0.0145 94 ASN B CB 792 C CG . ASN A 95 ? 0.8096 0.7444 0.7240 -0.0106 0.0084 -0.0115 94 ASN B CG 793 O OD1 . ASN A 95 ? 0.8020 0.7347 0.7180 -0.0116 0.0093 -0.0106 94 ASN B OD1 794 N ND2 . ASN A 95 ? 0.8158 0.7552 0.7318 -0.0097 0.0086 -0.0100 94 ASN B ND2 795 N N . ASN A 96 ? 0.8903 0.8218 0.7956 -0.0051 0.0069 -0.0167 95 ASN B N 796 C CA . ASN A 96 ? 0.9241 0.8605 0.8297 -0.0038 0.0071 -0.0158 95 ASN B CA 797 C C . ASN A 96 ? 0.9526 0.8956 0.8571 -0.0022 0.0061 -0.0166 95 ASN B C 798 O O . ASN A 96 ? 0.9592 0.9007 0.8601 -0.0003 0.0050 -0.0194 95 ASN B O 799 C CB . ASN A 96 ? 0.9210 0.8537 0.8239 -0.0023 0.0072 -0.0170 95 ASN B CB 800 C CG . ASN A 96 ? 0.9107 0.8489 0.8140 -0.0016 0.0076 -0.0157 95 ASN B CG 801 O OD1 . ASN A 96 ? 0.9017 0.8399 0.8071 -0.0033 0.0085 -0.0139 95 ASN B OD1 802 N ND2 . ASN A 96 ? 0.9002 0.8434 0.8013 0.0008 0.0067 -0.0169 95 ASN B ND2 803 N N . ALA A 97 ? 0.9981 0.9481 0.9054 -0.0030 0.0062 -0.0142 96 ALA B N 804 C CA . ALA A 97 ? 1.0277 0.9854 0.9348 -0.0021 0.0053 -0.0145 96 ALA B CA 805 C C . ALA A 97 ? 1.0480 1.0110 0.9521 0.0007 0.0046 -0.0163 96 ALA B C 806 O O . ALA A 97 ? 1.0467 1.0165 0.9503 0.0016 0.0038 -0.0169 96 ALA B O 807 C CB . ALA A 97 ? 1.0237 0.9874 0.9349 -0.0039 0.0057 -0.0108 96 ALA B CB 808 N N . ASP A 98 ? 1.0875 1.0485 0.9898 0.0022 0.0048 -0.0170 97 ASP B N 809 C CA . ASP A 98 ? 1.1237 1.0883 1.0224 0.0058 0.0041 -0.0195 97 ASP B CA 810 C C . ASP A 98 ? 1.1266 1.0847 1.0227 0.0075 0.0043 -0.0209 97 ASP B C 811 O O . ASP A 98 ? 1.1083 1.0679 1.0057 0.0067 0.0051 -0.0189 97 ASP B O 812 C CB . ASP A 98 ? 1.1314 1.1078 1.0313 0.0063 0.0040 -0.0175 97 ASP B CB 813 C CG . ASP A 98 ? 1.1242 1.1069 1.0205 0.0105 0.0031 -0.0203 97 ASP B CG 814 O OD1 . ASP A 98 ? 1.1088 1.0919 1.0036 0.0116 0.0023 -0.0228 97 ASP B OD1 815 O OD2 . ASP A 98 ? 1.1242 1.1119 1.0192 0.0127 0.0032 -0.0203 97 ASP B OD2 816 N N . GLY A 99 ? 1.1305 1.0815 1.0229 0.0096 0.0036 -0.0241 98 GLY B N 817 C CA . GLY A 99 ? 1.1124 1.0551 1.0025 0.0107 0.0037 -0.0252 98 GLY B CA 818 C C . GLY A 99 ? 1.0926 1.0266 0.9838 0.0075 0.0039 -0.0247 98 GLY B C 819 O O . GLY A 99 ? 1.1047 1.0402 0.9997 0.0043 0.0047 -0.0224 98 GLY B O 820 N N . ASP A 100 ? 1.0502 0.9752 0.9382 0.0083 0.0033 -0.0266 99 ASP B N 821 C CA . ASP A 100 ? 1.0120 0.9295 0.9006 0.0050 0.0032 -0.0263 99 ASP B CA 822 C C . ASP A 100 ? 0.9450 0.8609 0.8365 0.0024 0.0046 -0.0237 99 ASP B C 823 O O . ASP A 100 ? 0.9172 0.8339 0.8120 -0.0004 0.0054 -0.0221 99 ASP B O 824 C CB . ASP A 100 ? 1.0390 0.9471 0.9228 0.0063 0.0018 -0.0289 99 ASP B CB 825 C CG . ASP A 100 ? 1.0716 0.9787 0.9527 0.0069 0.0003 -0.0316 99 ASP B CG 826 O OD1 . ASP A 100 ? 1.0631 0.9760 0.9467 0.0050 0.0004 -0.0311 99 ASP B OD1 827 O OD2 . ASP A 100 ? 1.0960 0.9964 0.9722 0.0093 -0.0010 -0.0344 99 ASP B OD2 828 N N . PHE A 101 ? 0.8918 0.8057 0.7820 0.0038 0.0050 -0.0235 100 PHE B N 829 C CA . PHE A 101 ? 0.8622 0.7745 0.7546 0.0016 0.0063 -0.0216 100 PHE B CA 830 C C . PHE A 101 ? 0.8378 0.7565 0.7319 0.0019 0.0073 -0.0201 100 PHE B C 831 O O . PHE A 101 ? 0.8479 0.7706 0.7403 0.0046 0.0069 -0.0206 100 PHE B O 832 C CB . PHE A 101 ? 0.8544 0.7594 0.7439 0.0021 0.0059 -0.0221 100 PHE B CB 833 C CG . PHE A 101 ? 0.8504 0.7483 0.7381 0.0006 0.0048 -0.0231 100 PHE B CG 834 C CD1 . PHE A 101 ? 0.8433 0.7404 0.7337 -0.0029 0.0054 -0.0219 100 PHE B CD1 835 C CD2 . PHE A 101 ? 0.8606 0.7527 0.7438 0.0028 0.0032 -0.0251 100 PHE B CD2 836 C CE1 . PHE A 101 ? 0.8459 0.7375 0.7346 -0.0049 0.0043 -0.0224 100 PHE B CE1 837 C CE2 . PHE A 101 ? 0.8573 0.7424 0.7386 0.0007 0.0020 -0.0258 100 PHE B CE2 838 C CZ . PHE A 101 ? 0.8564 0.7416 0.7405 -0.0034 0.0025 -0.0243 100 PHE B CZ 839 N N . ALA A 102 ? 0.8022 0.7221 0.6997 -0.0008 0.0084 -0.0182 101 ALA B N 840 C CA . ALA A 102 ? 0.7864 0.7112 0.6854 -0.0015 0.0092 -0.0167 101 ALA B CA 841 C C . ALA A 102 ? 0.7827 0.7060 0.6799 -0.0009 0.0096 -0.0169 101 ALA B C 842 O O . ALA A 102 ? 0.7661 0.6837 0.6625 -0.0016 0.0098 -0.0172 101 ALA B O 843 C CB . ALA A 102 ? 0.7799 0.7046 0.6824 -0.0045 0.0103 -0.0151 101 ALA B CB 844 N N . ILE A 103 ? 0.7893 0.7184 0.6858 0.0000 0.0096 -0.0163 102 ILE B N 845 C CA . ILE A 103 ? 0.7885 0.7178 0.6832 0.0007 0.0098 -0.0163 102 ILE B CA 846 C C . ILE A 103 ? 0.7546 0.6836 0.6513 -0.0027 0.0109 -0.0150 102 ILE B C 847 O O . ILE A 103 ? 0.7466 0.6790 0.6454 -0.0048 0.0113 -0.0139 102 ILE B O 848 C CB . ILE A 103 ? 0.8120 0.7487 0.7049 0.0036 0.0092 -0.0162 102 ILE B CB 849 C CG1 . ILE A 103 ? 0.8291 0.7670 0.7201 0.0073 0.0081 -0.0178 102 ILE B CG1 850 C CG2 . ILE A 103 ? 0.8146 0.7509 0.7052 0.0051 0.0093 -0.0162 102 ILE B CG2 851 C CD1 . ILE A 103 ? 0.8406 0.7864 0.7295 0.0110 0.0075 -0.0180 102 ILE B CD1 852 N N . VAL A 104 ? 0.7285 0.6530 0.6243 -0.0033 0.0114 -0.0154 103 VAL B N 853 C CA . VAL A 104 ? 0.6983 0.6214 0.5955 -0.0064 0.0126 -0.0149 103 VAL B CA 854 C C . VAL A 104 ? 0.6818 0.6081 0.5772 -0.0063 0.0127 -0.0146 103 VAL B C 855 O O . VAL A 104 ? 0.6782 0.6036 0.5714 -0.0041 0.0123 -0.0149 103 VAL B O 856 C CB . VAL A 104 ? 0.7006 0.6173 0.5982 -0.0072 0.0130 -0.0154 103 VAL B CB 857 C CG1 . VAL A 104 ? 0.7049 0.6204 0.6032 -0.0096 0.0142 -0.0154 103 VAL B CG1 858 C CG2 . VAL A 104 ? 0.7043 0.6190 0.6038 -0.0075 0.0129 -0.0155 103 VAL B CG2 859 N N . LYS A 105 ? 0.6599 0.5898 0.5561 -0.0089 0.0132 -0.0139 104 LYS B N 860 C CA . LYS A 105 ? 0.6444 0.5789 0.5390 -0.0095 0.0133 -0.0135 104 LYS B CA 861 C C . LYS A 105 ? 0.6328 0.5638 0.5267 -0.0107 0.0141 -0.0140 104 LYS B C 862 O O . LYS A 105 ? 0.6273 0.5542 0.5224 -0.0130 0.0149 -0.0146 104 LYS B O 863 C CB . LYS A 105 ? 0.6415 0.5807 0.5369 -0.0128 0.0134 -0.0125 104 LYS B CB 864 C CG . LYS A 105 ? 0.6437 0.5900 0.5373 -0.0133 0.0132 -0.0118 104 LYS B CG 865 C CD . LYS A 105 ? 0.6386 0.5879 0.5326 -0.0179 0.0133 -0.0110 104 LYS B CD 866 C CE . LYS A 105 ? 0.6408 0.5968 0.5328 -0.0188 0.0132 -0.0105 104 LYS B CE 867 N NZ . LYS A 105 ? 0.6516 0.6119 0.5433 -0.0236 0.0129 -0.0095 104 LYS B NZ 868 N N . PHE A 106 ? 0.6238 0.5568 0.5155 -0.0088 0.0138 -0.0138 105 PHE B N 869 C CA . PHE A 106 ? 0.6154 0.5460 0.5062 -0.0097 0.0145 -0.0140 105 PHE B CA 870 C C . PHE A 106 ? 0.5937 0.5284 0.4843 -0.0130 0.0152 -0.0140 105 PHE B C 871 O O . PHE A 106 ? 0.5871 0.5277 0.4761 -0.0127 0.0149 -0.0133 105 PHE B O 872 C CB . PHE A 106 ? 0.6330 0.5636 0.5216 -0.0062 0.0138 -0.0134 105 PHE B CB 873 C CG . PHE A 106 ? 0.6540 0.5788 0.5422 -0.0035 0.0129 -0.0138 105 PHE B CG 874 C CD1 . PHE A 106 ? 0.6698 0.5898 0.5598 -0.0047 0.0131 -0.0145 105 PHE B CD1 875 C CD2 . PHE A 106 ? 0.6662 0.5901 0.5519 0.0003 0.0119 -0.0133 105 PHE B CD2 876 C CE1 . PHE A 106 ? 0.6733 0.5885 0.5626 -0.0027 0.0122 -0.0149 105 PHE B CE1 877 C CE2 . PHE A 106 ? 0.6767 0.5945 0.5615 0.0024 0.0109 -0.0139 105 PHE B CE2 878 C CZ . PHE A 106 ? 0.6763 0.5898 0.5628 0.0006 0.0111 -0.0147 105 PHE B CZ 879 N N . THR A 107 ? 0.5707 0.5021 0.4627 -0.0160 0.0160 -0.0150 106 THR B N 880 C CA . THR A 107 ? 0.5549 0.4878 0.4463 -0.0195 0.0167 -0.0157 106 THR B CA 881 C C . THR A 107 ? 0.5423 0.4738 0.4328 -0.0197 0.0174 -0.0164 106 THR B C 882 O O . THR A 107 ? 0.5289 0.4571 0.4196 -0.0177 0.0175 -0.0162 106 THR B O 883 C CB . THR A 107 ? 0.5476 0.4762 0.4406 -0.0221 0.0171 -0.0167 106 THR B CB 884 O OG1 . THR A 107 ? 0.5378 0.4607 0.4325 -0.0205 0.0176 -0.0172 106 THR B OG1 885 C CG2 . THR A 107 ? 0.5484 0.4798 0.4421 -0.0229 0.0163 -0.0155 106 THR B CG2 886 N N . LYS A 108 ? 0.5325 0.4666 0.4218 -0.0226 0.0180 -0.0172 107 LYS B N 887 C CA . LYS A 108 ? 0.5295 0.4635 0.4179 -0.0233 0.0188 -0.0179 107 LYS B CA 888 C C . LYS A 108 ? 0.5141 0.4420 0.4038 -0.0234 0.0197 -0.0194 107 LYS B C 889 O O . LYS A 108 ? 0.5102 0.4342 0.4014 -0.0241 0.0200 -0.0203 107 LYS B O 890 C CB . LYS A 108 ? 0.5516 0.4897 0.4382 -0.0267 0.0191 -0.0189 107 LYS B CB 891 C CG . LYS A 108 ? 0.5716 0.5174 0.4568 -0.0270 0.0182 -0.0174 107 LYS B CG 892 C CD . LYS A 108 ? 0.5833 0.5352 0.4664 -0.0290 0.0185 -0.0175 107 LYS B CD 893 C CE . LYS A 108 ? 0.5904 0.5505 0.4722 -0.0310 0.0178 -0.0164 107 LYS B CE 894 N NZ . LYS A 108 ? 0.5960 0.5593 0.4785 -0.0280 0.0168 -0.0143 107 LYS B NZ 895 N N . VAL A 109 ? 0.5032 0.4310 0.3925 -0.0227 0.0202 -0.0192 108 VAL B N 896 C CA . VAL A 109 ? 0.4971 0.4213 0.3874 -0.0231 0.0212 -0.0205 108 VAL B CA 897 C C . VAL A 109 ? 0.4913 0.4177 0.3803 -0.0256 0.0223 -0.0225 108 VAL B C 898 O O . VAL A 109 ? 0.4785 0.4095 0.3656 -0.0270 0.0221 -0.0224 108 VAL B O 899 C CB . VAL A 109 ? 0.4997 0.4229 0.3904 -0.0214 0.0210 -0.0190 108 VAL B CB 900 C CG1 . VAL A 109 ? 0.5004 0.4211 0.3916 -0.0191 0.0198 -0.0174 108 VAL B CG1 901 C CG2 . VAL A 109 ? 0.5030 0.4302 0.3918 -0.0217 0.0209 -0.0178 108 VAL B CG2 902 N N . LEU A 110 ? 0.4879 0.4113 0.3777 -0.0260 0.0234 -0.0245 109 LEU B N 903 C CA . LEU A 110 ? 0.4867 0.4117 0.3751 -0.0277 0.0245 -0.0269 109 LEU B CA 904 C C . LEU A 110 ? 0.4803 0.4076 0.3691 -0.0267 0.0250 -0.0260 109 LEU B C 905 O O . LEU A 110 ? 0.4801 0.4049 0.3707 -0.0253 0.0253 -0.0255 109 LEU B O 906 C CB . LEU A 110 ? 0.4903 0.4104 0.3793 -0.0280 0.0254 -0.0297 109 LEU B CB 907 C CG . LEU A 110 ? 0.4976 0.4186 0.3849 -0.0291 0.0267 -0.0328 109 LEU B CG 908 C CD1 . LEU A 110 ? 0.4999 0.4242 0.3844 -0.0321 0.0265 -0.0341 109 LEU B CD1 909 C CD2 . LEU A 110 ? 0.5045 0.4195 0.3925 -0.0283 0.0275 -0.0355 109 LEU B CD2 910 N N . LEU A 111 ? 0.4802 0.4127 0.3672 -0.0277 0.0251 -0.0255 110 LEU B N 911 C CA . LEU A 111 ? 0.4774 0.4131 0.3644 -0.0275 0.0256 -0.0243 110 LEU B CA 912 C C . LEU A 111 ? 0.4755 0.4148 0.3613 -0.0290 0.0270 -0.0272 110 LEU B C 913 O O . LEU A 111 ? 0.4707 0.4128 0.3546 -0.0308 0.0271 -0.0287 110 LEU B O 914 C CB . LEU A 111 ? 0.4734 0.4128 0.3593 -0.0272 0.0245 -0.0211 110 LEU B CB 915 C CG . LEU A 111 ? 0.4718 0.4147 0.3573 -0.0274 0.0246 -0.0191 110 LEU B CG 916 C CD1 . LEU A 111 ? 0.4716 0.4111 0.3590 -0.0265 0.0244 -0.0177 110 LEU B CD1 917 C CD2 . LEU A 111 ? 0.4735 0.4196 0.3575 -0.0270 0.0234 -0.0159 110 LEU B CD2 918 N N . GLN A 112 ? 0.4800 0.4195 0.3669 -0.0283 0.0280 -0.0280 111 GLN B N 919 C CA . GLN A 112 ? 0.4836 0.4270 0.3693 -0.0291 0.0294 -0.0309 111 GLN B CA 920 C C . GLN A 112 ? 0.4741 0.4245 0.3595 -0.0297 0.0295 -0.0285 111 GLN B C 921 O O . GLN A 112 ? 0.4672 0.4174 0.3536 -0.0292 0.0286 -0.0248 111 GLN B O 922 C CB . GLN A 112 ? 0.4913 0.4313 0.3786 -0.0273 0.0306 -0.0334 111 GLN B CB 923 C CG . GLN A 112 ? 0.5012 0.4339 0.3885 -0.0269 0.0305 -0.0356 111 GLN B CG 924 C CD . GLN A 112 ? 0.5065 0.4354 0.3956 -0.0245 0.0314 -0.0375 111 GLN B CD 925 O OE1 . GLN A 112 ? 0.5071 0.4312 0.3982 -0.0232 0.0309 -0.0363 111 GLN B OE1 926 N NE2 . GLN A 112 ? 0.5168 0.4482 0.4050 -0.0237 0.0329 -0.0405 111 GLN B NE2 927 N N . TYR A 113 ? 0.4736 0.4299 0.3572 -0.0309 0.0306 -0.0306 112 TYR B N 928 C CA . TYR A 113 ? 0.4701 0.4345 0.3530 -0.0320 0.0307 -0.0283 112 TYR B CA 929 C C . TYR A 113 ? 0.4603 0.4263 0.3451 -0.0312 0.0308 -0.0257 112 TYR B C 930 O O . TYR A 113 ? 0.4518 0.4231 0.3364 -0.0324 0.0303 -0.0223 112 TYR B O 931 C CB . TYR A 113 ? 0.4771 0.4479 0.3577 -0.0334 0.0320 -0.0318 112 TYR B CB 932 C CG . TYR A 113 ? 0.4838 0.4549 0.3648 -0.0321 0.0337 -0.0358 112 TYR B CG 933 C CD1 . TYR A 113 ? 0.4878 0.4526 0.3680 -0.0312 0.0344 -0.0404 112 TYR B CD1 934 C CD2 . TYR A 113 ? 0.4837 0.4617 0.3655 -0.0316 0.0346 -0.0349 112 TYR B CD2 935 C CE1 . TYR A 113 ? 0.4940 0.4586 0.3742 -0.0292 0.0359 -0.0442 112 TYR B CE1 936 C CE2 . TYR A 113 ? 0.4871 0.4663 0.3691 -0.0298 0.0362 -0.0387 112 TYR B CE2 937 C CZ . TYR A 113 ? 0.4948 0.4671 0.3760 -0.0283 0.0369 -0.0434 112 TYR B CZ 938 O OH . TYR A 113 ? 0.4964 0.4693 0.3776 -0.0258 0.0385 -0.0473 112 TYR B OH 939 N N . THR A 114 ? 0.4573 0.4193 0.3441 -0.0296 0.0313 -0.0270 113 THR B N 940 C CA . THR A 114 ? 0.4573 0.4208 0.3460 -0.0291 0.0313 -0.0245 113 THR B CA 941 C C . THR A 114 ? 0.4551 0.4137 0.3449 -0.0292 0.0294 -0.0203 113 THR B C 942 O O . THR A 114 ? 0.4540 0.4135 0.3453 -0.0295 0.0291 -0.0180 113 THR B O 943 C CB . THR A 114 ? 0.4591 0.4207 0.3496 -0.0270 0.0325 -0.0274 113 THR B CB 944 O OG1 . THR A 114 ? 0.4620 0.4150 0.3533 -0.0257 0.0319 -0.0283 113 THR B OG1 945 C CG2 . THR A 114 ? 0.4611 0.4267 0.3502 -0.0263 0.0344 -0.0321 113 THR B CG2 946 N N . GLY A 115 ? 0.4615 0.4153 0.3506 -0.0291 0.0282 -0.0194 114 GLY B N 947 C CA . GLY A 115 ? 0.4661 0.4142 0.3560 -0.0285 0.0265 -0.0163 114 GLY B CA 948 C C . GLY A 115 ? 0.4713 0.4128 0.3628 -0.0269 0.0264 -0.0179 114 GLY B C 949 O O . GLY A 115 ? 0.4719 0.4088 0.3639 -0.0263 0.0250 -0.0159 114 GLY B O 950 N N . HIS A 116 ? 0.4771 0.4183 0.3693 -0.0260 0.0278 -0.0215 115 HIS B N 951 C CA . HIS A 116 ? 0.4834 0.4190 0.3774 -0.0245 0.0278 -0.0227 115 HIS B CA 952 C C . HIS A 116 ? 0.4843 0.4152 0.3777 -0.0241 0.0268 -0.0228 115 HIS B C 953 O O . HIS A 116 ? 0.4809 0.4126 0.3727 -0.0249 0.0270 -0.0244 115 HIS B O 954 C CB . HIS A 116 ? 0.4926 0.4288 0.3872 -0.0234 0.0296 -0.0264 115 HIS B CB 955 C CG . HIS A 116 ? 0.5060 0.4374 0.4027 -0.0215 0.0296 -0.0270 115 HIS B CG 956 N ND1 . HIS A 116 ? 0.5133 0.4390 0.4101 -0.0209 0.0292 -0.0282 115 HIS B ND1 957 C CD2 . HIS A 116 ? 0.5119 0.4440 0.4108 -0.0202 0.0300 -0.0263 115 HIS B CD2 958 C CE1 . HIS A 116 ? 0.5147 0.4375 0.4137 -0.0192 0.0294 -0.0282 115 HIS B CE1 959 N NE2 . HIS A 116 ? 0.5148 0.4415 0.4151 -0.0187 0.0298 -0.0271 115 HIS B NE2 960 N N . ILE A 117 ? 0.4855 0.4122 0.3801 -0.0232 0.0257 -0.0211 116 ILE B N 961 C CA . ILE A 117 ? 0.4840 0.4071 0.3783 -0.0226 0.0247 -0.0210 116 ILE B CA 962 C C . ILE A 117 ? 0.4811 0.4003 0.3772 -0.0216 0.0250 -0.0224 116 ILE B C 963 O O . ILE A 117 ? 0.4822 0.4005 0.3802 -0.0208 0.0251 -0.0219 116 ILE B O 964 C CB . ILE A 117 ? 0.4865 0.4079 0.3802 -0.0221 0.0230 -0.0180 116 ILE B CB 965 C CG1 . ILE A 117 ? 0.4887 0.4136 0.3802 -0.0228 0.0225 -0.0166 116 ILE B CG1 966 C CG2 . ILE A 117 ? 0.4872 0.4054 0.3812 -0.0209 0.0220 -0.0180 116 ILE B CG2 967 C CD1 . ILE A 117 ? 0.4904 0.4133 0.3809 -0.0221 0.0210 -0.0135 116 ILE B CD1 968 N N . THR A 118 ? 0.4784 0.3960 0.3740 -0.0218 0.0251 -0.0240 117 THR B N 969 C CA . THR A 118 ? 0.4796 0.3931 0.3766 -0.0210 0.0250 -0.0247 117 THR B CA 970 C C . THR A 118 ? 0.4693 0.3821 0.3658 -0.0212 0.0236 -0.0235 117 THR B C 971 O O . THR A 118 ? 0.4739 0.3888 0.3686 -0.0224 0.0234 -0.0237 117 THR B O 972 C CB . THR A 118 ? 0.4898 0.4014 0.3864 -0.0215 0.0261 -0.0276 117 THR B CB 973 O OG1 . THR A 118 ? 0.4999 0.4132 0.3968 -0.0208 0.0274 -0.0291 117 THR B OG1 974 C CG2 . THR A 118 ? 0.4910 0.3978 0.3891 -0.0206 0.0259 -0.0278 117 THR B CG2 975 N N . TRP A 119 ? 0.4568 0.3674 0.3549 -0.0200 0.0228 -0.0222 118 TRP B N 976 C CA . TRP A 119 ? 0.4458 0.3566 0.3434 -0.0197 0.0216 -0.0209 118 TRP B CA 977 C C . TRP A 119 ? 0.4428 0.3511 0.3424 -0.0191 0.0213 -0.0207 118 TRP B C 978 O O . TRP A 119 ? 0.4415 0.3481 0.3428 -0.0180 0.0214 -0.0203 118 TRP B O 979 C CB . TRP A 119 ? 0.4381 0.3499 0.3350 -0.0185 0.0205 -0.0191 118 TRP B CB 980 C CG . TRP A 119 ? 0.4319 0.3449 0.3279 -0.0175 0.0193 -0.0181 118 TRP B CG 981 C CD1 . TRP A 119 ? 0.4306 0.3465 0.3256 -0.0182 0.0190 -0.0182 118 TRP B CD1 982 C CD2 . TRP A 119 ? 0.4270 0.3389 0.3226 -0.0155 0.0181 -0.0168 118 TRP B CD2 983 N NE1 . TRP A 119 ? 0.4275 0.3451 0.3218 -0.0164 0.0178 -0.0170 118 TRP B NE1 984 C CE2 . TRP A 119 ? 0.4255 0.3402 0.3201 -0.0145 0.0172 -0.0163 118 TRP B CE2 985 C CE3 . TRP A 119 ? 0.4265 0.3355 0.3225 -0.0146 0.0175 -0.0162 118 TRP B CE3 986 C CZ2 . TRP A 119 ? 0.4264 0.3408 0.3201 -0.0121 0.0160 -0.0155 118 TRP B CZ2 987 C CZ3 . TRP A 119 ? 0.4256 0.3333 0.3206 -0.0127 0.0161 -0.0154 118 TRP B CZ3 988 C CH2 . TRP A 119 ? 0.4278 0.3381 0.3216 -0.0111 0.0154 -0.0153 118 TRP B CH2 989 N N . THR A 120 ? 0.4433 0.3518 0.3425 -0.0200 0.0208 -0.0207 119 THR B N 990 C CA . THR A 120 ? 0.4461 0.3524 0.3470 -0.0199 0.0205 -0.0202 119 THR B CA 991 C C . THR A 120 ? 0.4479 0.3571 0.3484 -0.0199 0.0192 -0.0187 119 THR B C 992 O O . THR A 120 ? 0.4470 0.3565 0.3472 -0.0216 0.0189 -0.0185 119 THR B O 993 C CB . THR A 120 ? 0.4501 0.3530 0.3508 -0.0214 0.0213 -0.0217 119 THR B CB 994 O OG1 . THR A 120 ? 0.4535 0.3549 0.3542 -0.0209 0.0225 -0.0235 119 THR B OG1 995 C CG2 . THR A 120 ? 0.4567 0.3565 0.3594 -0.0209 0.0210 -0.0209 119 THR B CG2 996 N N . PRO A 121 ? 0.4524 0.3637 0.3527 -0.0181 0.0185 -0.0177 120 PRO B N 997 C CA . PRO A 121 ? 0.4570 0.3720 0.3566 -0.0175 0.0173 -0.0165 120 PRO B CA 998 C C . PRO A 121 ? 0.4657 0.3806 0.3672 -0.0175 0.0168 -0.0156 120 PRO B C 999 O O . PRO A 121 ? 0.4621 0.3742 0.3654 -0.0166 0.0170 -0.0155 120 PRO B O 1000 C CB . PRO A 121 ? 0.4500 0.3656 0.3486 -0.0151 0.0167 -0.0162 120 PRO B CB 1001 C CG . PRO A 121 ? 0.4495 0.3610 0.3493 -0.0147 0.0172 -0.0166 120 PRO B CG 1002 C CD . PRO A 121 ? 0.4508 0.3608 0.3512 -0.0165 0.0185 -0.0176 120 PRO B CD 1003 N N . PRO A 122 ? 0.4808 0.3995 0.3819 -0.0185 0.0161 -0.0146 121 PRO B N 1004 C CA . PRO A 122 ? 0.4827 0.4024 0.3855 -0.0188 0.0155 -0.0132 121 PRO B CA 1005 C C . PRO A 122 ? 0.4842 0.4071 0.3871 -0.0161 0.0146 -0.0126 121 PRO B C 1006 O O . PRO A 122 ? 0.4831 0.4085 0.3843 -0.0143 0.0143 -0.0130 121 PRO B O 1007 C CB . PRO A 122 ? 0.4881 0.4115 0.3899 -0.0215 0.0150 -0.0122 121 PRO B CB 1008 C CG . PRO A 122 ? 0.4860 0.4138 0.3856 -0.0211 0.0148 -0.0127 121 PRO B CG 1009 C CD . PRO A 122 ? 0.4854 0.4089 0.3845 -0.0199 0.0158 -0.0143 121 PRO B CD 1010 N N . ALA A 123 ? 0.4906 0.4137 0.3955 -0.0158 0.0143 -0.0116 122 ALA B N 1011 C CA . ALA A 123 ? 0.4906 0.4171 0.3956 -0.0135 0.0134 -0.0113 122 ALA B CA 1012 C C . ALA A 123 ? 0.4954 0.4246 0.4024 -0.0142 0.0129 -0.0095 122 ALA B C 1013 O O . ALA A 123 ? 0.4913 0.4178 0.3999 -0.0162 0.0132 -0.0084 122 ALA B O 1014 C CB . ALA A 123 ? 0.4851 0.4076 0.3901 -0.0116 0.0136 -0.0125 122 ALA B CB 1015 N N . ILE A 124 ? 0.5096 0.4442 0.4162 -0.0125 0.0120 -0.0091 123 ILE B N 1016 C CA . ILE A 124 ? 0.5213 0.4597 0.4298 -0.0128 0.0114 -0.0073 123 ILE B CA 1017 C C . ILE A 124 ? 0.5315 0.4694 0.4403 -0.0105 0.0111 -0.0083 123 ILE B C 1018 O O . ILE A 124 ? 0.5308 0.4696 0.4375 -0.0081 0.0106 -0.0100 123 ILE B O 1019 C CB . ILE A 124 ? 0.5241 0.4711 0.4316 -0.0130 0.0105 -0.0060 123 ILE B CB 1020 C CG1 . ILE A 124 ? 0.5311 0.4788 0.4381 -0.0162 0.0106 -0.0048 123 ILE B CG1 1021 C CG2 . ILE A 124 ? 0.5271 0.4792 0.4364 -0.0133 0.0098 -0.0040 123 ILE B CG2 1022 C CD1 . ILE A 124 ? 0.5382 0.4947 0.4434 -0.0159 0.0099 -0.0043 123 ILE B CD1 1023 N N . PHE A 125 ? 0.5468 0.4830 0.4580 -0.0111 0.0112 -0.0073 124 PHE B N 1024 C CA . PHE A 125 ? 0.5652 0.5012 0.4769 -0.0096 0.0109 -0.0081 124 PHE B CA 1025 C C . PHE A 125 ? 0.5719 0.5133 0.4856 -0.0097 0.0103 -0.0061 124 PHE B C 1026 O O . PHE A 125 ? 0.5649 0.5065 0.4807 -0.0114 0.0105 -0.0038 124 PHE B O 1027 C CB . PHE A 125 ? 0.5726 0.5023 0.4856 -0.0100 0.0118 -0.0085 124 PHE B CB 1028 C CG . PHE A 125 ? 0.5824 0.5118 0.4955 -0.0090 0.0114 -0.0095 124 PHE B CG 1029 C CD1 . PHE A 125 ? 0.5890 0.5164 0.4993 -0.0079 0.0109 -0.0117 124 PHE B CD1 1030 C CD2 . PHE A 125 ? 0.5825 0.5137 0.4982 -0.0094 0.0114 -0.0080 124 PHE B CD2 1031 C CE1 . PHE A 125 ? 0.5916 0.5183 0.5016 -0.0076 0.0103 -0.0126 124 PHE B CE1 1032 C CE2 . PHE A 125 ? 0.5820 0.5136 0.4975 -0.0090 0.0110 -0.0088 124 PHE B CE2 1033 C CZ . PHE A 125 ? 0.5878 0.5169 0.5004 -0.0083 0.0103 -0.0112 124 PHE B CZ 1034 N N . LYS A 126 ? 0.5988 0.5442 0.5114 -0.0080 0.0095 -0.0072 125 LYS B N 1035 C CA . LYS A 126 ? 0.6246 0.5757 0.5389 -0.0080 0.0088 -0.0056 125 LYS B CA 1036 C C . LYS A 126 ? 0.6286 0.5772 0.5442 -0.0079 0.0089 -0.0061 125 LYS B C 1037 O O . LYS A 126 ? 0.6247 0.5724 0.5384 -0.0067 0.0084 -0.0085 125 LYS B O 1038 C CB . LYS A 126 ? 0.6391 0.5974 0.5514 -0.0061 0.0078 -0.0068 125 LYS B CB 1039 C CG . LYS A 126 ? 0.6641 0.6269 0.5749 -0.0059 0.0076 -0.0063 125 LYS B CG 1040 C CD . LYS A 126 ? 0.6878 0.6605 0.5975 -0.0041 0.0067 -0.0065 125 LYS B CD 1041 C CE . LYS A 126 ? 0.7033 0.6798 0.6102 -0.0022 0.0064 -0.0077 125 LYS B CE 1042 N NZ . LYS A 126 ? 0.7103 0.6859 0.6178 -0.0046 0.0070 -0.0058 125 LYS B NZ 1043 N N . SER A 127 ? 0.6368 0.5843 0.5555 -0.0092 0.0095 -0.0037 126 SER B N 1044 C CA . SER A 127 ? 0.6606 0.6081 0.5810 -0.0091 0.0096 -0.0035 126 SER B CA 1045 C C . SER A 127 ? 0.6863 0.6416 0.6076 -0.0089 0.0086 -0.0022 126 SER B C 1046 O O . SER A 127 ? 0.6935 0.6537 0.6157 -0.0093 0.0083 0.0000 126 SER B O 1047 C CB . SER A 127 ? 0.6619 0.6060 0.5852 -0.0099 0.0106 -0.0012 126 SER B CB 1048 O OG . SER A 127 ? 0.6590 0.5964 0.5816 -0.0099 0.0116 -0.0027 126 SER B OG 1049 N N . TYR A 128 ? 0.7189 0.6757 0.6397 -0.0086 0.0081 -0.0036 127 TYR B N 1050 C CA . TYR A 128 ? 0.7445 0.7089 0.6667 -0.0087 0.0074 -0.0021 127 TYR B CA 1051 C C . TYR A 128 ? 0.7282 0.6926 0.6540 -0.0094 0.0080 0.0005 127 TYR B C 1052 O O . TYR A 128 ? 0.7389 0.7001 0.6647 -0.0097 0.0084 -0.0005 127 TYR B O 1053 C CB . TYR A 128 ? 0.7922 0.7584 0.7115 -0.0081 0.0064 -0.0054 127 TYR B CB 1054 C CG . TYR A 128 ? 0.8462 0.8204 0.7668 -0.0085 0.0056 -0.0043 127 TYR B CG 1055 C CD1 . TYR A 128 ? 0.8682 0.8509 0.7891 -0.0080 0.0050 -0.0030 127 TYR B CD1 1056 C CD2 . TYR A 128 ? 0.8813 0.8555 0.8028 -0.0096 0.0055 -0.0044 127 TYR B CD2 1057 C CE1 . TYR A 128 ? 0.8912 0.8821 0.8134 -0.0084 0.0043 -0.0019 127 TYR B CE1 1058 C CE2 . TYR A 128 ? 0.8878 0.8702 0.8105 -0.0101 0.0048 -0.0033 127 TYR B CE2 1059 C CZ . TYR A 128 ? 0.8948 0.8854 0.8178 -0.0095 0.0042 -0.0021 127 TYR B CZ 1060 O OH . TYR A 128 ? 0.9216 0.9208 0.8457 -0.0101 0.0035 -0.0010 127 TYR B OH 1061 N N . CYS A 129 ? 0.7157 0.6838 0.6443 -0.0097 0.0081 0.0043 128 CYS B N 1062 C CA . CYS A 129 ? 0.7070 0.6749 0.6391 -0.0097 0.0088 0.0073 128 CYS B CA 1063 C C . CYS A 129 ? 0.6987 0.6746 0.6323 -0.0097 0.0081 0.0087 128 CYS B C 1064 O O . CYS A 129 ? 0.6945 0.6772 0.6273 -0.0100 0.0071 0.0087 128 CYS B O 1065 C CB . CYS A 129 ? 0.7001 0.6662 0.6341 -0.0099 0.0091 0.0109 128 CYS B CB 1066 S SG . CYS A 129 ? 0.7051 0.6634 0.6368 -0.0105 0.0096 0.0092 128 CYS B SG 1067 N N . GLU A 130 ? 0.7062 0.6822 0.6420 -0.0095 0.0087 0.0099 129 GLU B N 1068 C CA . GLU A 130 ? 0.7260 0.7104 0.6637 -0.0097 0.0081 0.0118 129 GLU B CA 1069 C C . GLU A 130 ? 0.7210 0.7078 0.6626 -0.0088 0.0085 0.0169 129 GLU B C 1070 O O . GLU A 130 ? 0.7029 0.6834 0.6458 -0.0077 0.0095 0.0182 129 GLU B O 1071 C CB . GLU A 130 ? 0.7494 0.7335 0.6872 -0.0101 0.0084 0.0104 129 GLU B CB 1072 C CG . GLU A 130 ? 0.7765 0.7553 0.7106 -0.0111 0.0082 0.0058 129 GLU B CG 1073 C CD . GLU A 130 ? 0.8097 0.7916 0.7404 -0.0120 0.0067 0.0027 129 GLU B CD 1074 O OE1 . GLU A 130 ? 0.8467 0.8367 0.7781 -0.0123 0.0059 0.0039 129 GLU B OE1 1075 O OE2 . GLU A 130 ? 0.8209 0.7970 0.7481 -0.0123 0.0064 -0.0008 129 GLU B OE2 1076 N N . ILE A 131 ? 0.7403 0.7359 0.6833 -0.0090 0.0076 0.0196 130 ILE B N 1077 C CA . ILE A 131 ? 0.7593 0.7574 0.7059 -0.0081 0.0077 0.0250 130 ILE B CA 1078 C C . ILE A 131 ? 0.7754 0.7750 0.7246 -0.0068 0.0085 0.0264 130 ILE B C 1079 O O . ILE A 131 ? 0.7352 0.7404 0.6840 -0.0075 0.0082 0.0248 130 ILE B O 1080 C CB . ILE A 131 ? 0.7605 0.7691 0.7082 -0.0089 0.0065 0.0280 130 ILE B CB 1081 C CG1 . ILE A 131 ? 0.7603 0.7700 0.7055 -0.0101 0.0057 0.0268 130 ILE B CG1 1082 C CG2 . ILE A 131 ? 0.7650 0.7754 0.7164 -0.0079 0.0066 0.0341 130 ILE B CG2 1083 C CD1 . ILE A 131 ? 0.7641 0.7684 0.7100 -0.0105 0.0058 0.0298 130 ILE B CD1 1084 N N . ILE A 132 ? 0.8396 0.8341 0.7911 -0.0049 0.0094 0.0292 131 ILE B N 1085 C CA . ILE A 132 ? 0.8957 0.8928 0.8500 -0.0028 0.0101 0.0314 131 ILE B CA 1086 C C . ILE A 132 ? 0.9708 0.9764 0.9281 -0.0021 0.0094 0.0366 131 ILE B C 1087 O O . ILE A 132 ? 0.9849 0.9886 0.9430 -0.0019 0.0089 0.0400 131 ILE B O 1088 C CB . ILE A 132 ? 0.8990 0.8863 0.8540 -0.0003 0.0115 0.0316 131 ILE B CB 1089 C CG1 . ILE A 132 ? 0.9024 0.8846 0.8550 -0.0010 0.0123 0.0266 131 ILE B CG1 1090 C CG2 . ILE A 132 ? 0.9023 0.8931 0.8609 0.0027 0.0122 0.0353 131 ILE B CG2 1091 C CD1 . ILE A 132 ? 0.9050 0.8770 0.8572 0.0008 0.0136 0.0257 131 ILE B CD1 1092 N N . VAL A 133 ? 1.0567 1.0719 1.0154 -0.0021 0.0092 0.0374 132 VAL B N 1093 C CA . VAL A 133 ? 1.1134 1.1390 1.0751 -0.0017 0.0085 0.0423 132 VAL B CA 1094 C C . VAL A 133 ? 1.1721 1.2008 1.1372 0.0013 0.0093 0.0457 132 VAL B C 1095 O O . VAL A 133 ? 1.1925 1.2325 1.1597 0.0013 0.0089 0.0483 132 VAL B O 1096 C CB . VAL A 133 ? 1.1047 1.1413 1.0650 -0.0045 0.0072 0.0406 132 VAL B CB 1097 C CG1 . VAL A 133 ? 1.1056 1.1407 1.0630 -0.0065 0.0063 0.0383 132 VAL B CG1 1098 C CG2 . VAL A 133 ? 1.0994 1.1380 1.0580 -0.0059 0.0074 0.0363 132 VAL B CG2 1099 N N . THR A 134 ? 1.2307 1.2502 1.1964 0.0041 0.0106 0.0457 133 THR B N 1100 C CA . THR A 134 ? 1.2854 1.3074 1.2541 0.0079 0.0116 0.0486 133 THR B CA 1101 C C . THR A 134 ? 1.3323 1.3551 1.3039 0.0108 0.0113 0.0548 133 THR B C 1102 O O . THR A 134 ? 1.3858 1.4182 1.3603 0.0126 0.0112 0.0587 133 THR B O 1103 C CB . THR A 134 ? 1.2943 1.3062 1.2621 0.0102 0.0132 0.0457 133 THR B CB 1104 O OG1 . THR A 134 ? 1.2855 1.2977 1.2509 0.0074 0.0134 0.0406 133 THR B OG1 1105 C CG2 . THR A 134 ? 1.2946 1.3094 1.2656 0.0149 0.0143 0.0488 133 THR B CG2 1106 N N . HIS A 135 ? 1.3690 1.3816 1.3397 0.0110 0.0110 0.0558 134 HIS B N 1107 C CA . HIS A 135 ? 1.4258 1.4369 1.3987 0.0133 0.0105 0.0619 134 HIS B CA 1108 C C . HIS A 135 ? 1.4591 1.4603 1.4296 0.0108 0.0096 0.0616 134 HIS B C 1109 O O . HIS A 135 ? 1.4667 1.4555 1.4354 0.0118 0.0103 0.0595 134 HIS B O 1110 C CB . HIS A 135 ? 1.4543 1.4599 1.4291 0.0188 0.0117 0.0639 134 HIS B CB 1111 C CG . HIS A 135 ? 1.4762 1.4881 1.4545 0.0221 0.0113 0.0707 134 HIS B CG 1112 N ND1 . HIS A 135 ? 1.4774 1.5005 1.4585 0.0249 0.0119 0.0725 134 HIS B ND1 1113 C CD2 . HIS A 135 ? 1.4944 1.5032 1.4738 0.0231 0.0102 0.0763 134 HIS B CD2 1114 C CE1 . HIS A 135 ? 1.4741 1.5010 1.4580 0.0278 0.0113 0.0790 134 HIS B CE1 1115 N NE2 . HIS A 135 ? 1.4866 1.5045 1.4695 0.0268 0.0102 0.0814 134 HIS B NE2 1116 N N . PHE A 136 ? 1.4607 1.4683 1.4310 0.0075 0.0082 0.0636 135 PHE B N 1117 C CA . PHE A 136 ? 1.4678 1.4682 1.4358 0.0046 0.0073 0.0634 135 PHE B CA 1118 C C . PHE A 136 ? 1.4410 1.4428 1.4104 0.0038 0.0058 0.0701 135 PHE B C 1119 O O . PHE A 136 ? 1.4568 1.4676 1.4261 0.0007 0.0046 0.0717 135 PHE B O 1120 C CB . PHE A 136 ? 1.4769 1.4807 1.4419 0.0008 0.0070 0.0582 135 PHE B CB 1121 C CG . PHE A 136 ? 1.4811 1.4993 1.4465 -0.0009 0.0062 0.0582 135 PHE B CG 1122 C CD1 . PHE A 136 ? 1.4797 1.5050 1.4457 -0.0002 0.0067 0.0558 135 PHE B CD1 1123 C CD2 . PHE A 136 ? 1.4637 1.4888 1.4286 -0.0037 0.0048 0.0603 135 PHE B CD2 1124 C CE1 . PHE A 136 ? 1.4632 1.5013 1.4291 -0.0022 0.0058 0.0554 135 PHE B CE1 1125 C CE2 . PHE A 136 ? 1.4605 1.4991 1.4256 -0.0051 0.0040 0.0598 135 PHE B CE2 1126 C CZ . PHE A 136 ? 1.4545 1.4990 1.4198 -0.0044 0.0045 0.0572 135 PHE B CZ 1127 N N . PRO A 137 ? 1.3961 1.3890 1.3668 0.0068 0.0058 0.0742 136 PRO B N 1128 C CA . PRO A 137 ? 1.3616 1.3492 1.3321 0.0052 0.0043 0.0795 136 PRO B CA 1129 C C . PRO A 137 ? 1.2982 1.2760 1.2651 0.0015 0.0040 0.0761 136 PRO B C 1130 O O . PRO A 137 ? 1.3034 1.2848 1.2694 -0.0024 0.0026 0.0781 136 PRO B O 1131 C CB . PRO A 137 ? 1.3840 1.3622 1.3561 0.0100 0.0047 0.0834 136 PRO B CB 1132 C CG . PRO A 137 ? 1.3874 1.3720 1.3616 0.0143 0.0062 0.0817 136 PRO B CG 1133 C CD . PRO A 137 ? 1.3858 1.3749 1.3583 0.0120 0.0071 0.0747 136 PRO B CD 1134 N N . PHE A 138 ? 1.2188 1.1855 1.1838 0.0030 0.0053 0.0712 137 PHE B N 1135 C CA . PHE A 138 ? 1.1563 1.1159 1.1178 -0.0001 0.0054 0.0665 137 PHE B CA 1136 C C . PHE A 138 ? 1.0708 1.0371 1.0313 -0.0006 0.0064 0.0604 137 PHE B C 1137 O O . PHE A 138 ? 1.0379 1.0069 0.9996 0.0022 0.0077 0.0582 137 PHE B O 1138 C CB . PHE A 138 ? 1.1607 1.1040 1.1204 0.0016 0.0061 0.0648 137 PHE B CB 1139 N N . ASP A 139 ? 0.9867 0.9557 0.9449 -0.0044 0.0059 0.0577 138 ASP B N 1140 C CA . ASP A 139 ? 0.9152 0.8907 0.8720 -0.0051 0.0065 0.0523 138 ASP B CA 1141 C C . ASP A 139 ? 0.8437 0.8102 0.7986 -0.0039 0.0079 0.0467 138 ASP B C 1142 O O . ASP A 139 ? 0.8141 0.7696 0.7676 -0.0038 0.0083 0.0462 138 ASP B O 1143 C CB . ASP A 139 ? 0.9338 0.9154 0.8887 -0.0088 0.0054 0.0514 138 ASP B CB 1144 C CG . ASP A 139 ? 0.9463 0.9384 0.9030 -0.0103 0.0039 0.0568 138 ASP B CG 1145 O OD1 . ASP A 139 ? 0.9633 0.9649 0.9220 -0.0090 0.0039 0.0580 138 ASP B OD1 1146 O OD2 . ASP A 139 ? 0.9403 0.9315 0.8962 -0.0130 0.0028 0.0599 138 ASP B OD2 1147 N N . GLU A 140 ? 0.7754 0.7469 0.7299 -0.0032 0.0087 0.0428 139 GLU B N 1148 C CA . GLU A 140 ? 0.7402 0.7051 0.6928 -0.0026 0.0100 0.0375 139 GLU B CA 1149 C C . GLU A 140 ? 0.7039 0.6744 0.6544 -0.0044 0.0098 0.0332 139 GLU B C 1150 O O . GLU A 140 ? 0.6990 0.6793 0.6502 -0.0051 0.0091 0.0337 139 GLU B O 1151 C CB . GLU A 140 ? 0.7375 0.7013 0.6920 0.0008 0.0113 0.0373 139 GLU B CB 1152 C CG . GLU A 140 ? 0.7482 0.7038 0.7040 0.0037 0.0117 0.0403 139 GLU B CG 1153 C CD . GLU A 140 ? 0.7529 0.7074 0.7102 0.0076 0.0132 0.0393 139 GLU B CD 1154 O OE1 . GLU A 140 ? 0.7349 0.6957 0.6924 0.0076 0.0139 0.0367 139 GLU B OE1 1155 O OE2 . GLU A 140 ? 0.7795 0.7267 0.7375 0.0107 0.0138 0.0412 139 GLU B OE2 1156 N N . GLN A 141 ? 0.6628 0.6268 0.6106 -0.0052 0.0103 0.0290 140 GLN B N 1157 C CA . GLN A 141 ? 0.6399 0.6071 0.5854 -0.0063 0.0103 0.0246 140 GLN B CA 1158 C C . GLN A 141 ? 0.6160 0.5756 0.5599 -0.0057 0.0115 0.0207 140 GLN B C 1159 O O . GLN A 141 ? 0.6011 0.5529 0.5449 -0.0050 0.0122 0.0208 140 GLN B O 1160 C CB . GLN A 141 ? 0.6395 0.6099 0.5828 -0.0085 0.0092 0.0237 140 GLN B CB 1161 C CG . GLN A 141 ? 0.6498 0.6138 0.5917 -0.0098 0.0091 0.0241 140 GLN B CG 1162 C CD . GLN A 141 ? 0.6535 0.6230 0.5934 -0.0117 0.0080 0.0237 140 GLN B CD 1163 O OE1 . GLN A 141 ? 0.6527 0.6315 0.5928 -0.0119 0.0072 0.0241 140 GLN B OE1 1164 N NE2 . GLN A 141 ? 0.6605 0.6252 0.5985 -0.0131 0.0080 0.0228 140 GLN B NE2 1165 N N . ASN A 142 ? 0.6031 0.5652 0.5456 -0.0062 0.0115 0.0173 141 ASN B N 1166 C CA . ASN A 142 ? 0.5983 0.5550 0.5395 -0.0058 0.0125 0.0141 141 ASN B CA 1167 C C . ASN A 142 ? 0.6036 0.5589 0.5413 -0.0074 0.0120 0.0103 141 ASN B C 1168 O O . ASN A 142 ? 0.5983 0.5586 0.5348 -0.0082 0.0111 0.0090 141 ASN B O 1169 C CB . ASN A 142 ? 0.5936 0.5550 0.5364 -0.0050 0.0129 0.0143 141 ASN B CB 1170 C CG . ASN A 142 ? 0.5853 0.5424 0.5272 -0.0047 0.0140 0.0116 141 ASN B CG 1171 O OD1 . ASN A 142 ? 0.5847 0.5346 0.5255 -0.0042 0.0148 0.0103 141 ASN B OD1 1172 N ND2 . ASN A 142 ? 0.5798 0.5418 0.5220 -0.0052 0.0139 0.0110 141 ASN B ND2 1173 N N . CYS A 143 ? 0.6154 0.5637 0.5513 -0.0076 0.0126 0.0086 142 CYS B N 1174 C CA . CYS A 143 ? 0.6175 0.5637 0.5501 -0.0086 0.0122 0.0054 142 CYS B CA 1175 C C . CYS A 143 ? 0.6099 0.5512 0.5412 -0.0085 0.0130 0.0027 142 CYS B C 1176 O O . CYS A 143 ? 0.6013 0.5390 0.5338 -0.0077 0.0142 0.0032 142 CYS B O 1177 C CB . CYS A 143 ? 0.6388 0.5819 0.5705 -0.0093 0.0121 0.0061 142 CYS B CB 1178 S SG . CYS A 143 ? 0.6769 0.6251 0.6106 -0.0099 0.0111 0.0104 142 CYS B SG 1179 N N . SER A 144 ? 0.6022 0.5434 0.5308 -0.0092 0.0125 0.0000 143 SER B N 1180 C CA . SER A 144 ? 0.6027 0.5399 0.5299 -0.0096 0.0130 -0.0021 143 SER B CA 1181 C C . SER A 144 ? 0.6000 0.5335 0.5238 -0.0100 0.0126 -0.0047 143 SER B C 1182 O O . SER A 144 ? 0.6046 0.5399 0.5268 -0.0099 0.0117 -0.0054 143 SER B O 1183 C CB . SER A 144 ? 0.6047 0.5456 0.5322 -0.0103 0.0125 -0.0024 143 SER B CB 1184 O OG . SER A 144 ? 0.6199 0.5623 0.5448 -0.0110 0.0111 -0.0041 143 SER B OG 1185 N N . MET A 145 ? 0.6009 0.5297 0.5236 -0.0103 0.0134 -0.0061 144 MET B N 1186 C CA . MET A 145 ? 0.6073 0.5325 0.5268 -0.0106 0.0131 -0.0083 144 MET B CA 1187 C C . MET A 145 ? 0.6072 0.5298 0.5257 -0.0115 0.0133 -0.0094 144 MET B C 1188 O O . MET A 145 ? 0.6060 0.5281 0.5262 -0.0116 0.0144 -0.0088 144 MET B O 1189 C CB . MET A 145 ? 0.6275 0.5498 0.5466 -0.0104 0.0139 -0.0083 144 MET B CB 1190 C CG . MET A 145 ? 0.6410 0.5650 0.5619 -0.0102 0.0140 -0.0064 144 MET B CG 1191 S SD . MET A 145 ? 0.6620 0.5822 0.5816 -0.0108 0.0146 -0.0068 144 MET B SD 1192 C CE . MET A 145 ? 0.6603 0.5806 0.5826 -0.0111 0.0148 -0.0040 144 MET B CE 1193 N N . LYS A 146 ? 0.6114 0.5321 0.5268 -0.0120 0.0122 -0.0111 145 LYS B N 1194 C CA . LYS A 146 ? 0.6153 0.5332 0.5293 -0.0134 0.0120 -0.0118 145 LYS B CA 1195 C C . LYS A 146 ? 0.5993 0.5127 0.5111 -0.0132 0.0124 -0.0128 145 LYS B C 1196 O O . LYS A 146 ? 0.5982 0.5102 0.5079 -0.0122 0.0118 -0.0138 145 LYS B O 1197 C CB . LYS A 146 ? 0.6295 0.5465 0.5409 -0.0145 0.0103 -0.0130 145 LYS B CB 1198 C CG . LYS A 146 ? 0.6458 0.5676 0.5583 -0.0145 0.0095 -0.0126 145 LYS B CG 1199 C CD . LYS A 146 ? 0.6510 0.5772 0.5664 -0.0159 0.0100 -0.0109 145 LYS B CD 1200 C CE . LYS A 146 ? 0.6575 0.5822 0.5710 -0.0186 0.0090 -0.0115 145 LYS B CE 1201 N NZ . LYS A 146 ? 0.6686 0.5995 0.5852 -0.0199 0.0094 -0.0096 145 LYS B NZ 1202 N N . LEU A 147 ? 0.5849 0.4970 0.4971 -0.0142 0.0133 -0.0126 146 LEU B N 1203 C CA . LEU A 147 ? 0.5797 0.4883 0.4897 -0.0144 0.0135 -0.0133 146 LEU B CA 1204 C C . LEU A 147 ? 0.5749 0.4811 0.4829 -0.0163 0.0126 -0.0134 146 LEU B C 1205 O O . LEU A 147 ? 0.5723 0.4807 0.4817 -0.0179 0.0127 -0.0125 146 LEU B O 1206 C CB . LEU A 147 ? 0.5818 0.4909 0.4935 -0.0142 0.0152 -0.0130 146 LEU B CB 1207 C CG . LEU A 147 ? 0.5875 0.4969 0.5002 -0.0129 0.0160 -0.0131 146 LEU B CG 1208 C CD1 . LEU A 147 ? 0.5857 0.4944 0.4990 -0.0130 0.0175 -0.0134 146 LEU B CD1 1209 C CD2 . LEU A 147 ? 0.5932 0.5016 0.5035 -0.0123 0.0151 -0.0138 146 LEU B CD2 1210 N N . GLY A 148 ? 0.5639 0.4659 0.4686 -0.0162 0.0117 -0.0141 147 GLY B N 1211 C CA . GLY A 148 ? 0.5618 0.4603 0.4640 -0.0183 0.0106 -0.0139 147 GLY B CA 1212 C C . GLY A 148 ? 0.5629 0.4566 0.4617 -0.0174 0.0099 -0.0144 147 GLY B C 1213 O O . GLY A 148 ? 0.5562 0.4497 0.4542 -0.0149 0.0100 -0.0153 147 GLY B O 1214 N N . THR A 149 ? 0.5636 0.4542 0.4605 -0.0193 0.0092 -0.0136 148 THR B N 1215 C CA . THR A 149 ? 0.5672 0.4528 0.4607 -0.0184 0.0083 -0.0137 148 THR B CA 1216 C C . THR A 149 ? 0.5713 0.4513 0.4612 -0.0173 0.0062 -0.0149 148 THR B C 1217 O O . THR A 149 ? 0.5601 0.4386 0.4495 -0.0192 0.0051 -0.0151 148 THR B O 1218 C CB . THR A 149 ? 0.5697 0.4538 0.4622 -0.0209 0.0083 -0.0120 148 THR B CB 1219 O OG1 . THR A 149 ? 0.5702 0.4526 0.4619 -0.0242 0.0070 -0.0111 148 THR B OG1 1220 C CG2 . THR A 149 ? 0.5637 0.4537 0.4592 -0.0214 0.0104 -0.0113 148 THR B CG2 1221 N N . ARG A 150 ? 0.5840 0.4613 0.4715 -0.0143 0.0057 -0.0157 149 ARG B N 1222 C CA . ARG A 150 ? 0.6022 0.4744 0.4860 -0.0121 0.0039 -0.0173 149 ARG B CA 1223 C C . ARG A 150 ? 0.6087 0.4725 0.4886 -0.0139 0.0018 -0.0170 149 ARG B C 1224 O O . ARG A 150 ? 0.6139 0.4733 0.4913 -0.0141 0.0002 -0.0184 149 ARG B O 1225 C CB . ARG A 150 ? 0.6190 0.4917 0.5013 -0.0078 0.0040 -0.0181 149 ARG B CB 1226 C CG . ARG A 150 ? 0.6336 0.5034 0.5127 -0.0044 0.0025 -0.0203 149 ARG B CG 1227 C CD . ARG A 150 ? 0.6497 0.5184 0.5261 -0.0001 0.0022 -0.0207 149 ARG B CD 1228 N NE . ARG A 150 ? 0.6625 0.5396 0.5418 0.0011 0.0040 -0.0201 149 ARG B NE 1229 C CZ . ARG A 150 ? 0.6764 0.5597 0.5570 0.0031 0.0044 -0.0211 149 ARG B CZ 1230 N NH1 . ARG A 150 ? 0.6751 0.5582 0.5546 0.0045 0.0035 -0.0230 149 ARG B NH1 1231 N NH2 . ARG A 150 ? 0.6802 0.5706 0.5632 0.0034 0.0059 -0.0202 149 ARG B NH2 1232 N N . THR A 151 ? 0.6163 0.4777 0.4953 -0.0154 0.0019 -0.0150 150 THR B N 1233 C CA . THR A 151 ? 0.6207 0.4733 0.4955 -0.0172 -0.0002 -0.0141 150 THR B CA 1234 C C . THR A 151 ? 0.6107 0.4642 0.4868 -0.0225 -0.0002 -0.0117 150 THR B C 1235 O O . THR A 151 ? 0.6316 0.4801 0.5055 -0.0257 -0.0020 -0.0113 150 THR B O 1236 C CB . THR A 151 ? 0.6300 0.4786 0.5021 -0.0142 -0.0006 -0.0133 150 THR B CB 1237 O OG1 . THR A 151 ? 0.6368 0.4859 0.5078 -0.0091 -0.0005 -0.0154 150 THR B OG1 1238 C CG2 . THR A 151 ? 0.6411 0.4790 0.5084 -0.0158 -0.0031 -0.0121 150 THR B CG2 1239 N N . TYR A 152 ? 0.5881 0.4482 0.4674 -0.0235 0.0017 -0.0100 151 TYR B N 1240 C CA . TYR A 152 ? 0.5737 0.4366 0.4544 -0.0281 0.0019 -0.0076 151 TYR B CA 1241 C C . TYR A 152 ? 0.5738 0.4407 0.4568 -0.0310 0.0020 -0.0079 151 TYR B C 1242 O O . TYR A 152 ? 0.5733 0.4430 0.4580 -0.0291 0.0026 -0.0097 151 TYR B O 1243 C CB . TYR A 152 ? 0.5563 0.4265 0.4400 -0.0278 0.0042 -0.0065 151 TYR B CB 1244 C CG . TYR A 152 ? 0.5508 0.4182 0.4322 -0.0257 0.0040 -0.0056 151 TYR B CG 1245 C CD1 . TYR A 152 ? 0.5563 0.4171 0.4340 -0.0275 0.0021 -0.0034 151 TYR B CD1 1246 C CD2 . TYR A 152 ? 0.5358 0.4071 0.4185 -0.0223 0.0056 -0.0067 151 TYR B CD2 1247 C CE1 . TYR A 152 ? 0.5557 0.4142 0.4314 -0.0253 0.0019 -0.0023 151 TYR B CE1 1248 C CE2 . TYR A 152 ? 0.5370 0.4067 0.4176 -0.0204 0.0054 -0.0057 151 TYR B CE2 1249 C CZ . TYR A 152 ? 0.5471 0.4105 0.4242 -0.0217 0.0036 -0.0035 151 TYR B CZ 1250 O OH . TYR A 152 ? 0.5485 0.4105 0.4236 -0.0197 0.0033 -0.0021 151 TYR B OH 1251 N N . ASP A 153 ? 0.5796 0.4471 0.4623 -0.0357 0.0012 -0.0057 152 ASP B N 1252 C CA . ASP A 153 ? 0.5842 0.4568 0.4691 -0.0389 0.0013 -0.0054 152 ASP B CA 1253 C C . ASP A 153 ? 0.5743 0.4566 0.4631 -0.0405 0.0033 -0.0035 152 ASP B C 1254 O O . ASP A 153 ? 0.5763 0.4603 0.4656 -0.0396 0.0044 -0.0026 152 ASP B O 1255 C CB . ASP A 153 ? 0.5998 0.4660 0.4810 -0.0434 -0.0015 -0.0046 152 ASP B CB 1256 C CG . ASP A 153 ? 0.6114 0.4745 0.4902 -0.0476 -0.0028 -0.0014 152 ASP B CG 1257 O OD1 . ASP A 153 ? 0.6087 0.4792 0.4901 -0.0490 -0.0013 0.0007 152 ASP B OD1 1258 O OD2 . ASP A 153 ? 0.6345 0.4875 0.5085 -0.0496 -0.0055 -0.0011 152 ASP B OD2 1259 N N . GLY A 154 ? 0.5685 0.4576 0.4600 -0.0427 0.0038 -0.0030 153 GLY B N 1260 C CA . GLY A 154 ? 0.5637 0.4630 0.4591 -0.0434 0.0059 -0.0016 153 GLY B CA 1261 C C . GLY A 154 ? 0.5679 0.4694 0.4626 -0.0463 0.0059 0.0009 153 GLY B C 1262 O O . GLY A 154 ? 0.5594 0.4684 0.4568 -0.0453 0.0081 0.0013 153 GLY B O 1263 N N . SER A 155 ? 0.5802 0.4750 0.4709 -0.0500 0.0035 0.0027 154 SER B N 1264 C CA . SER A 155 ? 0.5888 0.4853 0.4784 -0.0535 0.0031 0.0058 154 SER B CA 1265 C C . SER A 155 ? 0.5890 0.4818 0.4772 -0.0507 0.0036 0.0058 154 SER B C 1266 O O . SER A 155 ? 0.5985 0.4958 0.4870 -0.0524 0.0042 0.0080 154 SER B O 1267 C CB . SER A 155 ? 0.5994 0.4896 0.4851 -0.0591 0.0000 0.0081 154 SER B CB 1268 O OG . SER A 155 ? 0.6115 0.4888 0.4928 -0.0578 -0.0020 0.0071 154 SER B OG 1269 N N . ALA A 156 ? 0.5821 0.4676 0.4688 -0.0465 0.0034 0.0034 155 ALA B N 1270 C CA . ALA A 156 ? 0.5726 0.4561 0.4584 -0.0433 0.0041 0.0031 155 ALA B CA 1271 C C . ALA A 156 ? 0.5551 0.4461 0.4446 -0.0395 0.0071 0.0010 155 ALA B C 1272 O O . ALA A 156 ? 0.5490 0.4439 0.4391 -0.0388 0.0084 0.0016 155 ALA B O 1273 C CB . ALA A 156 ? 0.5768 0.4496 0.4588 -0.0405 0.0024 0.0018 155 ALA B CB 1274 N N . VAL A 157 ? 0.5400 0.4326 0.4317 -0.0373 0.0080 -0.0012 156 VAL B N 1275 C CA . VAL A 157 ? 0.5293 0.4277 0.4243 -0.0340 0.0105 -0.0032 156 VAL B CA 1276 C C . VAL A 157 ? 0.5252 0.4296 0.4235 -0.0343 0.0115 -0.0038 156 VAL B C 1277 O O . VAL A 157 ? 0.5341 0.4363 0.4324 -0.0345 0.0105 -0.0043 156 VAL B O 1278 C CB . VAL A 157 ? 0.5239 0.4179 0.4181 -0.0300 0.0105 -0.0055 156 VAL B CB 1279 C CG1 . VAL A 157 ? 0.5168 0.4159 0.4143 -0.0274 0.0127 -0.0074 156 VAL B CG1 1280 C CG2 . VAL A 157 ? 0.5267 0.4170 0.4181 -0.0290 0.0100 -0.0049 156 VAL B CG2 1281 N N . ALA A 158 ? 0.5221 0.4342 0.4233 -0.0340 0.0136 -0.0037 157 ALA B N 1282 C CA . ALA A 158 ? 0.5276 0.4458 0.4323 -0.0329 0.0149 -0.0044 157 ALA B CA 1283 C C . ALA A 158 ? 0.5322 0.4505 0.4387 -0.0288 0.0167 -0.0068 157 ALA B C 1284 O O . ALA A 158 ? 0.5288 0.4480 0.4352 -0.0274 0.0180 -0.0078 157 ALA B O 1285 C CB . ALA A 158 ? 0.5274 0.4541 0.4337 -0.0348 0.0160 -0.0029 157 ALA B CB 1286 N N . ILE A 159 ? 0.5389 0.4565 0.4469 -0.0271 0.0167 -0.0078 158 ILE B N 1287 C CA . ILE A 159 ? 0.5419 0.4596 0.4517 -0.0237 0.0182 -0.0096 158 ILE B CA 1288 C C . ILE A 159 ? 0.5428 0.4666 0.4559 -0.0224 0.0197 -0.0096 158 ILE B C 1289 O O . ILE A 159 ? 0.5479 0.4754 0.4623 -0.0236 0.0193 -0.0083 158 ILE B O 1290 C CB . ILE A 159 ? 0.5391 0.4520 0.4482 -0.0222 0.0171 -0.0105 158 ILE B CB 1291 C CG1 . ILE A 159 ? 0.5444 0.4582 0.4545 -0.0230 0.0160 -0.0098 158 ILE B CG1 1292 C CG2 . ILE A 159 ? 0.5400 0.4474 0.4457 -0.0227 0.0157 -0.0107 158 ILE B CG2 1293 C CD1 . ILE A 159 ? 0.5448 0.4557 0.4546 -0.0213 0.0153 -0.0108 158 ILE B CD1 1294 N N . ASN A 160 ? 0.5460 0.4708 0.4603 -0.0198 0.0215 -0.0110 159 ASN B N 1295 C CA . ASN A 160 ? 0.5498 0.4795 0.4669 -0.0177 0.0231 -0.0113 159 ASN B CA 1296 C C . ASN A 160 ? 0.5502 0.4768 0.4683 -0.0146 0.0241 -0.0129 159 ASN B C 1297 O O . ASN A 160 ? 0.5406 0.4634 0.4572 -0.0141 0.0244 -0.0144 159 ASN B O 1298 C CB . ASN A 160 ? 0.5584 0.4935 0.4756 -0.0178 0.0245 -0.0114 159 ASN B CB 1299 C CG . ASN A 160 ? 0.5658 0.5059 0.4826 -0.0212 0.0236 -0.0091 159 ASN B CG 1300 O OD1 . ASN A 160 ? 0.5686 0.5125 0.4870 -0.0221 0.0231 -0.0076 159 ASN B OD1 1301 N ND2 . ASN A 160 ? 0.5642 0.5046 0.4790 -0.0234 0.0234 -0.0087 159 ASN B ND2 1302 N N . PRO A 161 ? 0.5593 0.4876 0.4799 -0.0126 0.0245 -0.0124 160 PRO B N 1303 C CA . PRO A 161 ? 0.5643 0.4887 0.4856 -0.0099 0.0252 -0.0135 160 PRO B CA 1304 C C . PRO A 161 ? 0.5786 0.5031 0.4997 -0.0080 0.0269 -0.0154 160 PRO B C 1305 O O . PRO A 161 ? 0.5797 0.5096 0.5017 -0.0072 0.0279 -0.0154 160 PRO B O 1306 C CB . PRO A 161 ? 0.5571 0.4845 0.4812 -0.0082 0.0252 -0.0120 160 PRO B CB 1307 C CG . PRO A 161 ? 0.5518 0.4840 0.4764 -0.0106 0.0242 -0.0102 160 PRO B CG 1308 C CD . PRO A 161 ? 0.5541 0.4881 0.4769 -0.0128 0.0242 -0.0105 160 PRO B CD 1309 N N . GLU A 162 ? 0.6062 0.5251 0.5258 -0.0074 0.0271 -0.0172 161 GLU B N 1310 C CA . GLU A 162 ? 0.6313 0.5491 0.5504 -0.0053 0.0287 -0.0194 161 GLU B CA 1311 C C . GLU A 162 ? 0.6315 0.5490 0.5528 -0.0017 0.0296 -0.0195 161 GLU B C 1312 O O . GLU A 162 ? 0.6420 0.5607 0.5633 0.0007 0.0311 -0.0211 161 GLU B O 1313 C CB . GLU A 162 ? 0.6556 0.5677 0.5721 -0.0064 0.0285 -0.0213 161 GLU B CB 1314 C CG . GLU A 162 ? 0.6819 0.5882 0.5984 -0.0061 0.0278 -0.0211 161 GLU B CG 1315 C CD . GLU A 162 ? 0.7103 0.6122 0.6242 -0.0075 0.0278 -0.0231 161 GLU B CD 1316 O OE1 . GLU A 162 ? 0.7470 0.6468 0.6599 -0.0093 0.0265 -0.0224 161 GLU B OE1 1317 O OE2 . GLU A 162 ? 0.7143 0.6154 0.6268 -0.0068 0.0289 -0.0255 161 GLU B OE2 1318 N N . SER A 163 ? 0.6341 0.5503 0.5571 -0.0012 0.0288 -0.0176 162 SER B N 1319 C CA . SER A 163 ? 0.6418 0.5588 0.5672 0.0023 0.0295 -0.0168 162 SER B CA 1320 C C . SER A 163 ? 0.6355 0.5551 0.5632 0.0020 0.0284 -0.0138 162 SER B C 1321 O O . SER A 163 ? 0.6275 0.5473 0.5548 -0.0008 0.0270 -0.0128 162 SER B O 1322 C CB . SER A 163 ? 0.6465 0.5558 0.5709 0.0045 0.0300 -0.0184 162 SER B CB 1323 O OG . SER A 163 ? 0.6474 0.5515 0.5714 0.0027 0.0286 -0.0174 162 SER B OG 1324 N N . ASP A 164 ? 0.6504 0.5725 0.5806 0.0053 0.0290 -0.0125 163 ASP B N 1325 C CA . ASP A 164 ? 0.6589 0.5850 0.5916 0.0055 0.0281 -0.0096 163 ASP B CA 1326 C C . ASP A 164 ? 0.6437 0.5647 0.5763 0.0045 0.0268 -0.0085 163 ASP B C 1327 O O . ASP A 164 ? 0.6317 0.5561 0.5656 0.0032 0.0257 -0.0064 163 ASP B O 1328 C CB . ASP A 164 ? 0.6929 0.6227 0.6283 0.0101 0.0293 -0.0084 163 ASP B CB 1329 C CG . ASP A 164 ? 0.7280 0.6645 0.6639 0.0119 0.0308 -0.0093 163 ASP B CG 1330 O OD1 . ASP A 164 ? 0.7590 0.7004 0.6940 0.0087 0.0305 -0.0095 163 ASP B OD1 1331 O OD2 . ASP A 164 ? 0.7514 0.6884 0.6883 0.0166 0.0321 -0.0098 163 ASP B OD2 1332 N N . GLN A 165 ? 0.6355 0.5487 0.5665 0.0050 0.0269 -0.0098 164 GLN B N 1333 C CA . GLN A 165 ? 0.6242 0.5331 0.5551 0.0039 0.0257 -0.0084 164 GLN B CA 1334 C C . GLN A 165 ? 0.6015 0.5064 0.5296 0.0007 0.0249 -0.0100 164 GLN B C 1335 O O . GLN A 165 ? 0.5896 0.4934 0.5157 0.0000 0.0255 -0.0123 164 GLN B O 1336 C CB . GLN A 165 ? 0.6472 0.5501 0.5785 0.0069 0.0261 -0.0081 164 GLN B CB 1337 C CG . GLN A 165 ? 0.6658 0.5723 0.6001 0.0108 0.0267 -0.0059 164 GLN B CG 1338 C CD . GLN A 165 ? 0.6892 0.5882 0.6236 0.0139 0.0269 -0.0053 164 GLN B CD 1339 O OE1 . GLN A 165 ? 0.7152 0.6064 0.6471 0.0142 0.0273 -0.0077 164 GLN B OE1 1340 N NE2 . GLN A 165 ? 0.6976 0.5986 0.6346 0.0160 0.0265 -0.0019 164 GLN B NE2 1341 N N . PRO A 166 ? 0.5854 0.4890 0.5132 -0.0011 0.0235 -0.0086 165 PRO B N 1342 C CA . PRO A 166 ? 0.5771 0.4768 0.5022 -0.0036 0.0229 -0.0099 165 PRO B CA 1343 C C . PRO A 166 ? 0.5672 0.4600 0.4908 -0.0031 0.0236 -0.0114 165 PRO B C 1344 O O . PRO A 166 ? 0.5706 0.4604 0.4954 -0.0007 0.0240 -0.0107 165 PRO B O 1345 C CB . PRO A 166 ? 0.5786 0.4797 0.5042 -0.0051 0.0214 -0.0077 165 PRO B CB 1346 C CG . PRO A 166 ? 0.5761 0.4797 0.5047 -0.0030 0.0213 -0.0051 165 PRO B CG 1347 C CD . PRO A 166 ? 0.5773 0.4845 0.5072 -0.0011 0.0225 -0.0057 165 PRO B CD 1348 N N . ASP A 167 ? 0.5569 0.4473 0.4778 -0.0053 0.0235 -0.0134 166 ASP B N 1349 C CA . ASP A 167 ? 0.5594 0.4430 0.4782 -0.0056 0.0238 -0.0152 166 ASP B CA 1350 C C . ASP A 167 ? 0.5574 0.4375 0.4760 -0.0075 0.0225 -0.0131 166 ASP B C 1351 O O . ASP A 167 ? 0.5421 0.4248 0.4599 -0.0101 0.0214 -0.0122 166 ASP B O 1352 C CB . ASP A 167 ? 0.5589 0.4425 0.4749 -0.0078 0.0241 -0.0178 166 ASP B CB 1353 C CG . ASP A 167 ? 0.5693 0.4460 0.4826 -0.0088 0.0244 -0.0200 166 ASP B CG 1354 O OD1 . ASP A 167 ? 0.5722 0.4429 0.4855 -0.0075 0.0244 -0.0200 166 ASP B OD1 1355 O OD2 . ASP A 167 ? 0.5734 0.4507 0.4843 -0.0111 0.0244 -0.0218 166 ASP B OD2 1356 N N . LEU A 168 ? 0.5726 0.4471 0.4918 -0.0058 0.0225 -0.0122 167 LEU B N 1357 C CA . LEU A 168 ? 0.5817 0.4517 0.5004 -0.0079 0.0211 -0.0100 167 LEU B CA 1358 C C . LEU A 168 ? 0.5889 0.4499 0.5044 -0.0096 0.0209 -0.0119 167 LEU B C 1359 O O . LEU A 168 ? 0.5875 0.4436 0.5023 -0.0114 0.0197 -0.0099 167 LEU B O 1360 C CB . LEU A 168 ? 0.5883 0.4578 0.5098 -0.0052 0.0208 -0.0068 167 LEU B CB 1361 C CG . LEU A 168 ? 0.5869 0.4654 0.5115 -0.0038 0.0208 -0.0047 167 LEU B CG 1362 C CD1 . LEU A 168 ? 0.5934 0.4716 0.5206 -0.0016 0.0204 -0.0012 167 LEU B CD1 1363 C CD2 . LEU A 168 ? 0.5801 0.4646 0.5043 -0.0070 0.0197 -0.0039 167 LEU B CD2 1364 N N . SER A 169 ? 0.6032 0.4623 0.5164 -0.0094 0.0220 -0.0156 168 SER B N 1365 C CA . SER A 169 ? 0.6153 0.4658 0.5250 -0.0112 0.0219 -0.0182 168 SER B CA 1366 C C . SER A 169 ? 0.6186 0.4680 0.5260 -0.0165 0.0203 -0.0172 168 SER B C 1367 O O . SER A 169 ? 0.6322 0.4734 0.5368 -0.0187 0.0196 -0.0181 168 SER B O 1368 C CB . SER A 169 ? 0.6171 0.4681 0.5249 -0.0102 0.0234 -0.0224 168 SER B CB 1369 O OG . SER A 169 ? 0.6171 0.4756 0.5245 -0.0125 0.0234 -0.0229 168 SER B OG 1370 N N . ASN A 170 ? 0.6123 0.4700 0.5207 -0.0187 0.0196 -0.0154 169 ASN B N 1371 C CA . ASN A 170 ? 0.6112 0.4705 0.5179 -0.0235 0.0181 -0.0140 169 ASN B CA 1372 C C . ASN A 170 ? 0.5922 0.4559 0.5011 -0.0244 0.0167 -0.0097 169 ASN B C 1373 O O . ASN A 170 ? 0.5868 0.4551 0.4949 -0.0278 0.0155 -0.0081 169 ASN B O 1374 C CB . ASN A 170 ? 0.6170 0.4830 0.5223 -0.0251 0.0184 -0.0158 169 ASN B CB 1375 C CG . ASN A 170 ? 0.6355 0.4984 0.5385 -0.0246 0.0196 -0.0198 169 ASN B CG 1376 O OD1 . ASN A 170 ? 0.6629 0.5179 0.5636 -0.0254 0.0197 -0.0218 169 ASN B OD1 1377 N ND2 . ASN A 170 ? 0.6390 0.5080 0.5424 -0.0232 0.0206 -0.0212 169 ASN B ND2 1378 N N . PHE A 171 ? 0.5773 0.4405 0.4890 -0.0212 0.0169 -0.0077 170 PHE B N 1379 C CA . PHE A 171 ? 0.5663 0.4348 0.4804 -0.0215 0.0157 -0.0036 170 PHE B CA 1380 C C . PHE A 171 ? 0.5795 0.4427 0.4927 -0.0247 0.0142 -0.0008 170 PHE B C 1381 O O . PHE A 171 ? 0.5849 0.4390 0.4976 -0.0236 0.0142 -0.0006 170 PHE B O 1382 C CB . PHE A 171 ? 0.5481 0.4184 0.4656 -0.0172 0.0165 -0.0024 170 PHE B CB 1383 C CG . PHE A 171 ? 0.5332 0.4088 0.4531 -0.0173 0.0154 0.0016 170 PHE B CG 1384 C CD1 . PHE A 171 ? 0.5209 0.4058 0.4414 -0.0184 0.0148 0.0024 170 PHE B CD1 1385 C CD2 . PHE A 171 ? 0.5355 0.4070 0.4570 -0.0162 0.0148 0.0047 170 PHE B CD2 1386 C CE1 . PHE A 171 ? 0.5168 0.4074 0.4394 -0.0185 0.0138 0.0059 170 PHE B CE1 1387 C CE2 . PHE A 171 ? 0.5278 0.4053 0.4516 -0.0165 0.0138 0.0087 170 PHE B CE2 1388 C CZ . PHE A 171 ? 0.5202 0.4076 0.4446 -0.0177 0.0133 0.0092 170 PHE B CZ 1389 N N . MET A 172 ? 0.5970 0.4657 0.5097 -0.0285 0.0128 0.0014 171 MET B N 1390 C CA . MET A 172 ? 0.6264 0.4917 0.5385 -0.0319 0.0110 0.0051 171 MET B CA 1391 C C . MET A 172 ? 0.6254 0.4953 0.5410 -0.0299 0.0105 0.0091 171 MET B C 1392 O O . MET A 172 ? 0.6153 0.4953 0.5328 -0.0288 0.0106 0.0099 171 MET B O 1393 C CB . MET A 172 ? 0.6376 0.5081 0.5476 -0.0373 0.0097 0.0061 171 MET B CB 1394 C CG . MET A 172 ? 0.6652 0.5332 0.5745 -0.0417 0.0076 0.0104 171 MET B CG 1395 S SD . MET A 172 ? 0.7140 0.5649 0.6211 -0.0429 0.0069 0.0106 171 MET B SD 1396 C CE . MET A 172 ? 0.7213 0.5682 0.6234 -0.0486 0.0064 0.0074 171 MET B CE 1397 N N . GLU A 173 ? 0.6367 0.4991 0.5529 -0.0295 0.0098 0.0117 172 GLU B N 1398 C CA . GLU A 173 ? 0.6451 0.5112 0.5647 -0.0270 0.0095 0.0155 172 GLU B CA 1399 C C . GLU A 173 ? 0.6367 0.5095 0.5569 -0.0309 0.0076 0.0202 172 GLU B C 1400 O O . GLU A 173 ? 0.6262 0.4991 0.5440 -0.0358 0.0064 0.0210 172 GLU B O 1401 C CB . GLU A 173 ? 0.6679 0.5237 0.5882 -0.0236 0.0099 0.0164 172 GLU B CB 1402 C CG . GLU A 173 ? 0.6998 0.5420 0.6168 -0.0258 0.0090 0.0161 172 GLU B CG 1403 C CD . GLU A 173 ? 0.7218 0.5573 0.6357 -0.0253 0.0103 0.0105 172 GLU B CD 1404 O OE1 . GLU A 173 ? 0.7297 0.5672 0.6446 -0.0210 0.0122 0.0071 172 GLU B OE1 1405 O OE2 . GLU A 173 ? 0.7496 0.5783 0.6599 -0.0297 0.0093 0.0095 172 GLU B OE2 1406 N N . SER A 174 ? 0.6298 0.5097 0.5532 -0.0288 0.0074 0.0234 173 SER B N 1407 C CA . SER A 174 ? 0.6253 0.5132 0.5497 -0.0319 0.0057 0.0281 173 SER B CA 1408 C C . SER A 174 ? 0.6444 0.5250 0.5691 -0.0333 0.0043 0.0329 173 SER B C 1409 O O . SER A 174 ? 0.6525 0.5225 0.5773 -0.0306 0.0048 0.0327 173 SER B O 1410 C CB . SER A 174 ? 0.6097 0.5094 0.5371 -0.0289 0.0062 0.0287 173 SER B CB 1411 O OG . SER A 174 ? 0.6054 0.5135 0.5340 -0.0313 0.0046 0.0334 173 SER B OG 1412 N N . GLY A 175 ? 0.6560 0.5426 0.5808 -0.0376 0.0024 0.0374 174 GLY B N 1413 C CA . GLY A 175 ? 0.6679 0.5499 0.5934 -0.0393 0.0007 0.0432 174 GLY B CA 1414 C C . GLY A 175 ? 0.6728 0.5625 0.6023 -0.0359 0.0008 0.0468 174 GLY B C 1415 O O . GLY A 175 ? 0.6880 0.5725 0.6185 -0.0358 -0.0002 0.0514 174 GLY B O 1416 N N . GLU A 176 ? 0.6674 0.5693 0.5989 -0.0333 0.0019 0.0449 175 GLU B N 1417 C CA . GLU A 176 ? 0.6706 0.5813 0.6056 -0.0303 0.0019 0.0477 175 GLU B CA 1418 C C . GLU A 176 ? 0.6599 0.5697 0.5968 -0.0245 0.0038 0.0446 175 GLU B C 1419 O O . GLU A 176 ? 0.6432 0.5544 0.5827 -0.0216 0.0039 0.0475 175 GLU B O 1420 C CB . GLU A 176 ? 0.6795 0.6060 0.6151 -0.0321 0.0014 0.0484 175 GLU B CB 1421 C CG . GLU A 176 ? 0.6875 0.6250 0.6263 -0.0293 0.0015 0.0506 175 GLU B CG 1422 C CD . GLU A 176 ? 0.7051 0.6435 0.6460 -0.0304 0.0000 0.0575 175 GLU B CD 1423 O OE1 . GLU A 176 ? 0.7056 0.6343 0.6454 -0.0330 -0.0011 0.0607 175 GLU B OE1 1424 O OE2 . GLU A 176 ? 0.7124 0.6612 0.6559 -0.0288 -0.0001 0.0599 175 GLU B OE2 1425 N N . TRP A 177 ? 0.6546 0.5633 0.5901 -0.0231 0.0053 0.0389 176 TRP B N 1426 C CA . TRP A 177 ? 0.6508 0.5603 0.5879 -0.0183 0.0071 0.0358 176 TRP B CA 1427 C C . TRP A 177 ? 0.6401 0.5376 0.5758 -0.0160 0.0084 0.0325 176 TRP B C 1428 O O . TRP A 177 ? 0.6509 0.5398 0.5839 -0.0183 0.0081 0.0312 176 TRP B O 1429 C CB . TRP A 177 ? 0.6591 0.5782 0.5958 -0.0181 0.0077 0.0322 176 TRP B CB 1430 C CG . TRP A 177 ? 0.6592 0.5909 0.5976 -0.0188 0.0067 0.0349 176 TRP B CG 1431 C CD1 . TRP A 177 ? 0.6585 0.5972 0.5995 -0.0163 0.0069 0.0362 176 TRP B CD1 1432 C CD2 . TRP A 177 ? 0.6665 0.6061 0.6039 -0.0222 0.0054 0.0364 176 TRP B CD2 1433 N NE1 . TRP A 177 ? 0.6564 0.6065 0.5979 -0.0179 0.0058 0.0382 176 TRP B NE1 1434 C CE2 . TRP A 177 ? 0.6600 0.6110 0.5994 -0.0214 0.0049 0.0384 176 TRP B CE2 1435 C CE3 . TRP A 177 ? 0.6738 0.6127 0.6087 -0.0260 0.0046 0.0363 176 TRP B CE3 1436 C CZ2 . TRP A 177 ? 0.6642 0.6259 0.6031 -0.0238 0.0037 0.0401 176 TRP B CZ2 1437 C CZ3 . TRP A 177 ? 0.6753 0.6255 0.6099 -0.0285 0.0034 0.0383 176 TRP B CZ3 1438 C CH2 . TRP A 177 ? 0.6682 0.6296 0.6048 -0.0272 0.0030 0.0401 176 TRP B CH2 1439 N N . VAL A 178 ? 0.6274 0.5253 0.5649 -0.0115 0.0097 0.0310 177 VAL B N 1440 C CA . VAL A 178 ? 0.6305 0.5193 0.5671 -0.0085 0.0112 0.0276 177 VAL B CA 1441 C C . VAL A 178 ? 0.6223 0.5176 0.5602 -0.0055 0.0127 0.0245 177 VAL B C 1442 O O . VAL A 178 ? 0.6024 0.5067 0.5429 -0.0043 0.0127 0.0263 177 VAL B O 1443 C CB . VAL A 178 ? 0.6390 0.5190 0.5765 -0.0055 0.0111 0.0305 177 VAL B CB 1444 C CG1 . VAL A 178 ? 0.6404 0.5276 0.5816 -0.0019 0.0114 0.0338 177 VAL B CG1 1445 C CG2 . VAL A 178 ? 0.6455 0.5151 0.5811 -0.0027 0.0125 0.0264 177 VAL B CG2 1446 N N . ILE A 179 ? 0.6358 0.5271 0.5720 -0.0047 0.0140 0.0199 178 ILE B N 1447 C CA . ILE A 179 ? 0.6465 0.5433 0.5836 -0.0024 0.0154 0.0170 178 ILE B CA 1448 C C . ILE A 179 ? 0.6614 0.5562 0.6006 0.0021 0.0164 0.0178 178 ILE B C 1449 O O . ILE A 179 ? 0.6664 0.5529 0.6043 0.0041 0.0173 0.0159 178 ILE B O 1450 C CB . ILE A 179 ? 0.6412 0.5355 0.5756 -0.0036 0.0162 0.0122 178 ILE B CB 1451 C CG1 . ILE A 179 ? 0.6360 0.5355 0.5689 -0.0072 0.0153 0.0115 178 ILE B CG1 1452 C CG2 . ILE A 179 ? 0.6366 0.5348 0.5719 -0.0010 0.0177 0.0097 178 ILE B CG2 1453 C CD1 . ILE A 179 ? 0.6407 0.5391 0.5727 -0.0105 0.0138 0.0141 178 ILE B CD1 1454 N N . LYS A 180 ? 0.6776 0.5803 0.6198 0.0039 0.0164 0.0206 179 LYS B N 1455 C CA . LYS A 180 ? 0.7005 0.6033 0.6450 0.0086 0.0173 0.0221 179 LYS B CA 1456 C C . LYS A 180 ? 0.6985 0.6031 0.6430 0.0111 0.0190 0.0184 179 LYS B C 1457 O O . LYS A 180 ? 0.7040 0.6057 0.6493 0.0153 0.0201 0.0182 179 LYS B O 1458 C CB . LYS A 180 ? 0.7084 0.6209 0.6562 0.0094 0.0166 0.0263 179 LYS B CB 1459 C CG . LYS A 180 ? 0.7316 0.6430 0.6818 0.0143 0.0171 0.0295 179 LYS B CG 1460 C CD . LYS A 180 ? 0.7437 0.6662 0.6973 0.0148 0.0164 0.0338 179 LYS B CD 1461 C CE . LYS A 180 ? 0.7468 0.6803 0.7016 0.0148 0.0171 0.0319 179 LYS B CE 1462 N NZ . LYS A 180 ? 0.7538 0.6968 0.7121 0.0174 0.0170 0.0359 179 LYS B NZ 1463 N N . GLU A 181 ? 0.6938 0.6033 0.6373 0.0085 0.0192 0.0155 180 GLU B N 1464 C CA . GLU A 181 ? 0.6918 0.6062 0.6358 0.0100 0.0204 0.0131 180 GLU B CA 1465 C C . GLU A 181 ? 0.6615 0.5775 0.6031 0.0063 0.0202 0.0100 180 GLU B C 1466 O O . GLU A 181 ? 0.6532 0.5714 0.5941 0.0034 0.0189 0.0106 180 GLU B O 1467 C CB . GLU A 181 ? 0.7140 0.6385 0.6611 0.0114 0.0203 0.0160 180 GLU B CB 1468 C CG . GLU A 181 ? 0.7390 0.6703 0.6870 0.0126 0.0214 0.0144 180 GLU B CG 1469 C CD . GLU A 181 ? 0.7739 0.7157 0.7250 0.0135 0.0210 0.0175 180 GLU B CD 1470 O OE1 . GLU A 181 ? 0.7944 0.7419 0.7469 0.0157 0.0221 0.0175 180 GLU B OE1 1471 O OE2 . GLU A 181 ? 0.7859 0.7313 0.7379 0.0119 0.0198 0.0201 180 GLU B OE2 1472 N N . SER A 182 ? 0.6359 0.5511 0.5763 0.0067 0.0213 0.0068 181 SER B N 1473 C CA . SER A 182 ? 0.6240 0.5411 0.5624 0.0036 0.0211 0.0041 181 SER B CA 1474 C C . SER A 182 ? 0.6188 0.5384 0.5570 0.0046 0.0223 0.0020 181 SER B C 1475 O O . SER A 182 ? 0.6128 0.5305 0.5516 0.0076 0.0236 0.0014 181 SER B O 1476 C CB . SER A 182 ? 0.6232 0.5336 0.5586 0.0013 0.0207 0.0022 181 SER B CB 1477 O OG . SER A 182 ? 0.6253 0.5283 0.5596 0.0029 0.0216 0.0007 181 SER B OG 1478 N N . ARG A 183 ? 0.6239 0.5479 0.5613 0.0022 0.0218 0.0009 182 ARG B N 1479 C CA . ARG A 183 ? 0.6326 0.5595 0.5697 0.0022 0.0228 -0.0007 182 ARG B CA 1480 C C . ARG A 183 ? 0.6168 0.5442 0.5514 -0.0012 0.0219 -0.0024 182 ARG B C 1481 O O . ARG A 183 ? 0.6093 0.5370 0.5431 -0.0032 0.0206 -0.0021 182 ARG B O 1482 C CB . ARG A 183 ? 0.6491 0.5840 0.5890 0.0039 0.0232 0.0011 182 ARG B CB 1483 C CG . ARG A 183 ? 0.6814 0.6161 0.6228 0.0082 0.0248 0.0013 182 ARG B CG 1484 C CD . ARG A 183 ? 0.7043 0.6468 0.6468 0.0092 0.0258 0.0013 182 ARG B CD 1485 N NE . ARG A 183 ? 0.7252 0.6681 0.6655 0.0062 0.0259 -0.0009 182 ARG B NE 1486 C CZ . ARG A 183 ? 0.7472 0.6959 0.6878 0.0065 0.0268 -0.0014 182 ARG B CZ 1487 N NH1 . ARG A 183 ? 0.7576 0.7130 0.7008 0.0100 0.0280 -0.0001 182 ARG B NH1 1488 N NH2 . ARG A 183 ? 0.7529 0.7013 0.6913 0.0033 0.0266 -0.0031 182 ARG B NH2 1489 N N . GLY A 184 ? 0.6072 0.5348 0.5407 -0.0016 0.0227 -0.0042 183 GLY B N 1490 C CA . GLY A 184 ? 0.6104 0.5384 0.5416 -0.0046 0.0220 -0.0055 183 GLY B CA 1491 C C . GLY A 184 ? 0.6047 0.5391 0.5369 -0.0052 0.0223 -0.0049 183 GLY B C 1492 O O . GLY A 184 ? 0.6126 0.5496 0.5460 -0.0033 0.0237 -0.0049 183 GLY B O 1493 N N . TRP A 185 ? 0.6065 0.5437 0.5380 -0.0080 0.0209 -0.0044 184 TRP B N 1494 C CA . TRP A 185 ? 0.6046 0.5479 0.5364 -0.0098 0.0207 -0.0036 184 TRP B CA 1495 C C . TRP A 185 ? 0.6030 0.5434 0.5315 -0.0134 0.0195 -0.0047 184 TRP B C 1496 O O . TRP A 185 ? 0.6058 0.5418 0.5323 -0.0145 0.0182 -0.0056 184 TRP B O 1497 C CB . TRP A 185 ? 0.6097 0.5590 0.5434 -0.0104 0.0198 -0.0016 184 TRP B CB 1498 C CG . TRP A 185 ? 0.6162 0.5690 0.5532 -0.0068 0.0208 0.0001 184 TRP B CG 1499 C CD1 . TRP A 185 ? 0.6235 0.5750 0.5616 -0.0053 0.0204 0.0011 184 TRP B CD1 1500 C CD2 . TRP A 185 ? 0.6340 0.5927 0.5736 -0.0041 0.0223 0.0014 184 TRP B CD2 1501 N NE1 . TRP A 185 ? 0.6340 0.5892 0.5752 -0.0018 0.0214 0.0031 184 TRP B NE1 1502 C CE2 . TRP A 185 ? 0.6392 0.5989 0.5813 -0.0007 0.0226 0.0032 184 TRP B CE2 1503 C CE3 . TRP A 185 ? 0.6452 0.6091 0.5853 -0.0041 0.0233 0.0013 184 TRP B CE3 1504 C CZ2 . TRP A 185 ? 0.6422 0.6072 0.5872 0.0031 0.0240 0.0048 184 TRP B CZ2 1505 C CZ3 . TRP A 185 ? 0.6527 0.6230 0.5957 -0.0002 0.0247 0.0028 184 TRP B CZ3 1506 C CH2 . TRP A 185 ? 0.6503 0.6207 0.5957 0.0035 0.0251 0.0044 184 TRP B CH2 1507 N N . LYS A 186 ? 0.6022 0.5453 0.5302 -0.0151 0.0198 -0.0047 185 LYS B N 1508 C CA . LYS A 186 ? 0.6021 0.5424 0.5269 -0.0188 0.0184 -0.0052 185 LYS B CA 1509 C C . LYS A 186 ? 0.5963 0.5404 0.5207 -0.0221 0.0168 -0.0039 185 LYS B C 1510 O O . LYS A 186 ? 0.6061 0.5577 0.5329 -0.0221 0.0172 -0.0023 185 LYS B O 1511 C CB . LYS A 186 ? 0.6062 0.5477 0.5304 -0.0194 0.0194 -0.0054 185 LYS B CB 1512 C CG . LYS A 186 ? 0.6151 0.5529 0.5358 -0.0230 0.0180 -0.0055 185 LYS B CG 1513 C CD . LYS A 186 ? 0.6176 0.5569 0.5378 -0.0232 0.0192 -0.0057 185 LYS B CD 1514 C CE . LYS A 186 ? 0.6181 0.5565 0.5356 -0.0275 0.0177 -0.0047 185 LYS B CE 1515 N NZ . LYS A 186 ? 0.6195 0.5641 0.5378 -0.0281 0.0190 -0.0038 185 LYS B NZ 1516 N N . HIS A 187 ? 0.5959 0.5348 0.5170 -0.0249 0.0149 -0.0047 186 HIS B N 1517 C CA . HIS A 187 ? 0.5936 0.5343 0.5133 -0.0287 0.0130 -0.0039 186 HIS B CA 1518 C C . HIS A 187 ? 0.5945 0.5298 0.5103 -0.0324 0.0115 -0.0043 186 HIS B C 1519 O O . HIS A 187 ? 0.5878 0.5157 0.5011 -0.0315 0.0112 -0.0057 186 HIS B O 1520 C CB . HIS A 187 ? 0.5974 0.5362 0.5166 -0.0281 0.0119 -0.0048 186 HIS B CB 1521 C CG . HIS A 187 ? 0.5938 0.5382 0.5167 -0.0251 0.0130 -0.0039 186 HIS B CG 1522 N ND1 . HIS A 187 ? 0.5951 0.5371 0.5193 -0.0213 0.0141 -0.0044 186 HIS B ND1 1523 C CD2 . HIS A 187 ? 0.5899 0.5423 0.5154 -0.0253 0.0130 -0.0021 186 HIS B CD2 1524 C CE1 . HIS A 187 ? 0.5957 0.5433 0.5231 -0.0194 0.0148 -0.0029 186 HIS B CE1 1525 N NE2 . HIS A 187 ? 0.5882 0.5425 0.5166 -0.0215 0.0142 -0.0015 186 HIS B NE2 1526 N N . SER A 188 ? 0.6021 0.5413 0.5173 -0.0365 0.0104 -0.0028 187 SER B N 1527 C CA . SER A 188 ? 0.6129 0.5458 0.5237 -0.0409 0.0082 -0.0028 187 SER B CA 1528 C C . SER A 188 ? 0.6077 0.5371 0.5163 -0.0423 0.0061 -0.0041 187 SER B C 1529 O O . SER A 188 ? 0.6097 0.5457 0.5202 -0.0430 0.0060 -0.0034 187 SER B O 1530 C CB . SER A 188 ? 0.6284 0.5672 0.5393 -0.0455 0.0077 -0.0004 187 SER B CB 1531 O OG . SER A 188 ? 0.6389 0.5783 0.5501 -0.0450 0.0090 0.0003 187 SER B OG 1532 N N . VAL A 189 ? 0.6034 0.5229 0.5079 -0.0423 0.0046 -0.0060 188 VAL B N 1533 C CA . VAL A 189 ? 0.6048 0.5197 0.5064 -0.0430 0.0026 -0.0079 188 VAL B CA 1534 C C . VAL A 189 ? 0.6078 0.5148 0.5043 -0.0475 0.0000 -0.0081 188 VAL B C 1535 O O . VAL A 189 ? 0.6045 0.5054 0.4988 -0.0478 -0.0002 -0.0077 188 VAL B O 1536 C CB . VAL A 189 ? 0.6072 0.5169 0.5080 -0.0382 0.0030 -0.0103 188 VAL B CB 1537 C CG1 . VAL A 189 ? 0.6084 0.5157 0.5067 -0.0382 0.0012 -0.0124 188 VAL B CG1 1538 C CG2 . VAL A 189 ? 0.6005 0.5163 0.5060 -0.0341 0.0055 -0.0096 188 VAL B CG2 1539 N N . THR A 190 ? 0.6133 0.5205 0.5078 -0.0511 -0.0019 -0.0085 189 THR B N 1540 C CA . THR A 190 ? 0.6285 0.5267 0.5174 -0.0558 -0.0048 -0.0091 189 THR B CA 1541 C C . THR A 190 ? 0.6418 0.5314 0.5266 -0.0538 -0.0065 -0.0127 189 THR B C 1542 O O . THR A 190 ? 0.6368 0.5308 0.5231 -0.0515 -0.0060 -0.0142 189 THR B O 1543 C CB . THR A 190 ? 0.6357 0.5402 0.5247 -0.0621 -0.0061 -0.0072 189 THR B CB 1544 O OG1 . THR A 190 ? 0.6207 0.5342 0.5135 -0.0636 -0.0045 -0.0038 189 THR B OG1 1545 C CG2 . THR A 190 ? 0.6503 0.5444 0.5330 -0.0676 -0.0095 -0.0078 189 THR B CG2 1546 N N . TYR A 191 ? 0.6666 0.5441 0.5461 -0.0544 -0.0084 -0.0140 190 TYR B N 1547 C CA . TYR A 191 ? 0.6895 0.5575 0.5641 -0.0519 -0.0101 -0.0177 190 TYR B CA 1548 C C . TYR A 191 ? 0.7225 0.5807 0.5908 -0.0572 -0.0136 -0.0188 190 TYR B C 1549 O O . TYR A 191 ? 0.7259 0.5822 0.5930 -0.0626 -0.0147 -0.0163 190 TYR B O 1550 C CB . TYR A 191 ? 0.6792 0.5403 0.5525 -0.0465 -0.0094 -0.0187 190 TYR B CB 1551 C CG . TYR A 191 ? 0.6619 0.5308 0.5402 -0.0411 -0.0066 -0.0188 190 TYR B CG 1552 C CD1 . TYR A 191 ? 0.6506 0.5266 0.5336 -0.0407 -0.0042 -0.0161 190 TYR B CD1 1553 C CD2 . TYR A 191 ? 0.6571 0.5262 0.5349 -0.0365 -0.0063 -0.0215 190 TYR B CD2 1554 C CE1 . TYR A 191 ? 0.6426 0.5245 0.5295 -0.0361 -0.0019 -0.0161 190 TYR B CE1 1555 C CE2 . TYR A 191 ? 0.6415 0.5175 0.5235 -0.0322 -0.0040 -0.0212 190 TYR B CE2 1556 C CZ . TYR A 191 ? 0.6383 0.5200 0.5248 -0.0322 -0.0018 -0.0185 190 TYR B CZ 1557 O OH . TYR A 191 ? 0.6282 0.5157 0.5184 -0.0283 0.0002 -0.0183 190 TYR B OH 1558 N N . SER A 192 ? 0.7596 0.6115 0.6238 -0.0557 -0.0153 -0.0226 191 SER B N 1559 C CA . SER A 192 ? 0.7943 0.6356 0.6518 -0.0606 -0.0187 -0.0244 191 SER B CA 1560 C C . SER A 192 ? 0.8266 0.6537 0.6788 -0.0617 -0.0206 -0.0238 191 SER B C 1561 O O . SER A 192 ? 0.8442 0.6635 0.6917 -0.0677 -0.0234 -0.0235 191 SER B O 1562 C CB . SER A 192 ? 0.7980 0.6356 0.6518 -0.0578 -0.0200 -0.0292 191 SER B CB 1563 O OG . SER A 192 ? 0.8006 0.6513 0.6587 -0.0580 -0.0187 -0.0293 191 SER B OG 1564 N N . CYS A 193 ? 0.8579 0.6817 0.7108 -0.0563 -0.0193 -0.0235 192 CYS B N 1565 C CA . CYS A 193 ? 0.8975 0.7086 0.7458 -0.0567 -0.0209 -0.0224 192 CYS B CA 1566 C C . CYS A 193 ? 0.9235 0.7359 0.7727 -0.0634 -0.0214 -0.0178 192 CYS B C 1567 O O . CYS A 193 ? 0.9516 0.7525 0.7955 -0.0673 -0.0241 -0.0169 192 CYS B O 1568 C CB . CYS A 193 ? 0.9043 0.7154 0.7545 -0.0496 -0.0188 -0.0222 192 CYS B CB 1569 S SG . CYS A 193 ? 0.9052 0.7321 0.7640 -0.0488 -0.0149 -0.0185 192 CYS B SG 1570 N N . CYS A 194 ? 0.9297 0.7563 0.7855 -0.0646 -0.0189 -0.0149 193 CYS B N 1571 C CA . CYS A 194 ? 0.9371 0.7674 0.7950 -0.0680 -0.0182 -0.0104 193 CYS B CA 1572 C C . CYS A 194 ? 0.9318 0.7760 0.7944 -0.0733 -0.0173 -0.0077 193 CYS B C 1573 O O . CYS A 194 ? 0.9170 0.7734 0.7855 -0.0706 -0.0143 -0.0066 193 CYS B O 1574 C CB . CYS A 194 ? 0.9424 0.7765 0.8041 -0.0617 -0.0153 -0.0098 193 CYS B CB 1575 S SG . CYS A 194 ? 0.9749 0.7978 0.8329 -0.0538 -0.0155 -0.0133 193 CYS B SG 1576 N N . PRO A 195 ? 0.9497 0.7920 0.8092 -0.0808 -0.0199 -0.0065 194 PRO B N 1577 C CA . PRO A 195 ? 0.9478 0.8044 0.8114 -0.0859 -0.0192 -0.0038 194 PRO B CA 1578 C C . PRO A 195 ? 0.9536 0.8214 0.8222 -0.0867 -0.0169 0.0004 194 PRO B C 1579 O O . PRO A 195 ? 0.9454 0.8276 0.8192 -0.0868 -0.0149 0.0017 194 PRO B O 1580 C CB . PRO A 195 ? 0.9534 0.8031 0.8114 -0.0944 -0.0230 -0.0030 194 PRO B CB 1581 C CG . PRO A 195 ? 0.9685 0.7995 0.8195 -0.0939 -0.0256 -0.0047 194 PRO B CG 1582 C CD . PRO A 195 ? 0.9640 0.7909 0.8158 -0.0846 -0.0237 -0.0079 194 PRO B CD 1583 N N . ASP A 196 ? 0.9681 0.8296 0.8348 -0.0871 -0.0173 0.0024 195 ASP B N 1584 C CA . ASP A 196 ? 0.9663 0.8380 0.8369 -0.0886 -0.0155 0.0064 195 ASP B CA 1585 C C . ASP A 196 ? 0.9433 0.8188 0.8179 -0.0812 -0.0122 0.0058 195 ASP B C 1586 O O . ASP A 196 ? 0.9444 0.8284 0.8221 -0.0816 -0.0105 0.0085 195 ASP B O 1587 C CB . ASP A 196 ? 0.9921 0.8562 0.8583 -0.0948 -0.0182 0.0098 195 ASP B CB 1588 C CG . ASP A 196 ? 1.0271 0.8848 0.8882 -0.1028 -0.0219 0.0104 195 ASP B CG 1589 O OD1 . ASP A 196 ? 1.0287 0.8955 0.8916 -0.1061 -0.0220 0.0102 195 ASP B OD1 1590 O OD2 . ASP A 196 ? 1.0515 0.8949 0.9066 -0.1060 -0.0249 0.0110 195 ASP B OD2 1591 N N . THR A 197 ? 0.9223 0.7923 0.7967 -0.0747 -0.0114 0.0021 196 THR B N 1592 C CA . THR A 197 ? 0.8843 0.7551 0.7611 -0.0681 -0.0088 0.0012 196 THR B CA 1593 C C . THR A 197 ? 0.8305 0.7107 0.7125 -0.0630 -0.0060 -0.0007 196 THR B C 1594 O O . THR A 197 ? 0.8208 0.6988 0.7022 -0.0609 -0.0064 -0.0034 196 THR B O 1595 C CB . THR A 197 ? 0.9131 0.7698 0.7853 -0.0644 -0.0102 -0.0010 196 THR B CB 1596 O OG1 . THR A 197 ? 0.9413 0.7874 0.8081 -0.0689 -0.0132 0.0006 196 THR B OG1 1597 C CG2 . THR A 197 ? 0.9109 0.7690 0.7853 -0.0585 -0.0078 -0.0014 196 THR B CG2 1598 N N . PRO A 198 ? 0.7848 0.6751 0.6716 -0.0609 -0.0032 0.0005 197 PRO B N 1599 C CA . PRO A 198 ? 0.7399 0.6377 0.6312 -0.0561 -0.0007 -0.0010 197 PRO B CA 1600 C C . PRO A 198 ? 0.6946 0.5872 0.5858 -0.0500 0.0004 -0.0034 197 PRO B C 1601 O O . PRO A 198 ? 0.6884 0.5772 0.5784 -0.0488 0.0007 -0.0030 197 PRO B O 1602 C CB . PRO A 198 ? 0.7413 0.6507 0.6369 -0.0565 0.0015 0.0013 197 PRO B CB 1603 C CG . PRO A 198 ? 0.7550 0.6612 0.6485 -0.0587 0.0009 0.0032 197 PRO B CG 1604 C CD . PRO A 198 ? 0.7763 0.6712 0.6642 -0.0628 -0.0023 0.0035 197 PRO B CD 1605 N N . TYR A 199 ? 0.6557 0.5490 0.5482 -0.0466 0.0009 -0.0057 198 TYR B N 1606 C CA . TYR A 199 ? 0.6232 0.5157 0.5170 -0.0411 0.0026 -0.0074 198 TYR B CA 1607 C C . TYR A 199 ? 0.6036 0.5059 0.5027 -0.0389 0.0051 -0.0071 198 TYR B C 1608 O O . TYR A 199 ? 0.5950 0.5044 0.4964 -0.0409 0.0053 -0.0058 198 TYR B O 1609 C CB . TYR A 199 ? 0.6201 0.5063 0.5113 -0.0386 0.0013 -0.0101 198 TYR B CB 1610 C CG . TYR A 199 ? 0.6306 0.5057 0.5162 -0.0393 -0.0010 -0.0109 198 TYR B CG 1611 C CD1 . TYR A 199 ? 0.6375 0.5073 0.5194 -0.0435 -0.0035 -0.0110 198 TYR B CD1 1612 C CD2 . TYR A 199 ? 0.6269 0.4968 0.5108 -0.0359 -0.0007 -0.0115 198 TYR B CD2 1613 C CE1 . TYR A 199 ? 0.6505 0.5086 0.5268 -0.0439 -0.0059 -0.0118 198 TYR B CE1 1614 C CE2 . TYR A 199 ? 0.6398 0.4993 0.5185 -0.0359 -0.0029 -0.0121 198 TYR B CE2 1615 C CZ . TYR A 199 ? 0.6536 0.5066 0.5284 -0.0398 -0.0055 -0.0123 198 TYR B CZ 1616 O OH . TYR A 199 ? 0.6689 0.5102 0.5382 -0.0395 -0.0078 -0.0129 198 TYR B OH 1617 N N . LEU A 200 ? 0.5868 0.4895 0.4875 -0.0347 0.0068 -0.0080 199 LEU B N 1618 C CA . LEU A 200 ? 0.5706 0.4807 0.4757 -0.0324 0.0092 -0.0077 199 LEU B CA 1619 C C . LEU A 200 ? 0.5678 0.4767 0.4738 -0.0283 0.0100 -0.0093 199 LEU B C 1620 O O . LEU A 200 ? 0.5612 0.4647 0.4649 -0.0266 0.0095 -0.0106 199 LEU B O 1621 C CB . LEU A 200 ? 0.5634 0.4758 0.4695 -0.0322 0.0107 -0.0068 199 LEU B CB 1622 C CG . LEU A 200 ? 0.5607 0.4763 0.4663 -0.0362 0.0103 -0.0046 199 LEU B CG 1623 C CD1 . LEU A 200 ? 0.5615 0.4782 0.4672 -0.0356 0.0117 -0.0041 199 LEU B CD1 1624 C CD2 . LEU A 200 ? 0.5571 0.4818 0.4659 -0.0374 0.0111 -0.0033 199 LEU B CD2 1625 N N . ASP A 201 ? 0.5674 0.4818 0.4768 -0.0268 0.0110 -0.0091 200 ASP B N 1626 C CA . ASP A 201 ? 0.5640 0.4784 0.4749 -0.0233 0.0120 -0.0101 200 ASP B CA 1627 C C . ASP A 201 ? 0.5422 0.4620 0.4570 -0.0214 0.0140 -0.0092 200 ASP B C 1628 O O . ASP A 201 ? 0.5275 0.4524 0.4443 -0.0224 0.0146 -0.0080 200 ASP B O 1629 C CB . ASP A 201 ? 0.5783 0.4919 0.4883 -0.0228 0.0106 -0.0110 200 ASP B CB 1630 C CG . ASP A 201 ? 0.5964 0.5165 0.5094 -0.0230 0.0108 -0.0099 200 ASP B CG 1631 O OD1 . ASP A 201 ? 0.6102 0.5346 0.5266 -0.0212 0.0124 -0.0088 200 ASP B OD1 1632 O OD2 . ASP A 201 ? 0.6200 0.5404 0.5316 -0.0248 0.0092 -0.0102 200 ASP B OD2 1633 N N . ILE A 202 ? 0.5292 0.4479 0.4450 -0.0187 0.0149 -0.0099 201 ILE B N 1634 C CA . ILE A 202 ? 0.5214 0.4434 0.4405 -0.0165 0.0165 -0.0092 201 ILE B CA 1635 C C . ILE A 202 ? 0.5130 0.4348 0.4328 -0.0150 0.0160 -0.0092 201 ILE B C 1636 O O . ILE A 202 ? 0.5176 0.4361 0.4355 -0.0146 0.0154 -0.0102 201 ILE B O 1637 C CB . ILE A 202 ? 0.5182 0.4382 0.4373 -0.0153 0.0180 -0.0100 201 ILE B CB 1638 C CG1 . ILE A 202 ? 0.5184 0.4397 0.4366 -0.0169 0.0185 -0.0099 201 ILE B CG1 1639 C CG2 . ILE A 202 ? 0.5172 0.4392 0.4392 -0.0128 0.0195 -0.0096 201 ILE B CG2 1640 C CD1 . ILE A 202 ? 0.5235 0.4427 0.4408 -0.0161 0.0196 -0.0111 201 ILE B CD1 1641 N N . THR A 203 ? 0.5051 0.4314 0.4278 -0.0141 0.0163 -0.0078 202 THR B N 1642 C CA . THR A 203 ? 0.5049 0.4323 0.4286 -0.0130 0.0158 -0.0072 202 THR B CA 1643 C C . THR A 203 ? 0.5009 0.4287 0.4273 -0.0107 0.0171 -0.0060 202 THR B C 1644 O O . THR A 203 ? 0.5033 0.4343 0.4321 -0.0096 0.0181 -0.0048 202 THR B O 1645 C CB . THR A 203 ? 0.5040 0.4363 0.4285 -0.0141 0.0147 -0.0061 202 THR B CB 1646 O OG1 . THR A 203 ? 0.5079 0.4385 0.4293 -0.0165 0.0132 -0.0075 202 THR B OG1 1647 C CG2 . THR A 203 ? 0.5033 0.4379 0.4290 -0.0129 0.0142 -0.0053 202 THR B CG2 1648 N N . TYR A 204 ? 0.4983 0.4229 0.4240 -0.0099 0.0171 -0.0064 203 TYR B N 1649 C CA . TYR A 204 ? 0.5028 0.4263 0.4304 -0.0082 0.0180 -0.0052 203 TYR B CA 1650 C C . TYR A 204 ? 0.5084 0.4347 0.4373 -0.0079 0.0171 -0.0034 203 TYR B C 1651 O O . TYR A 204 ? 0.5075 0.4346 0.4349 -0.0088 0.0160 -0.0038 203 TYR B O 1652 C CB . TYR A 204 ? 0.5035 0.4218 0.4292 -0.0083 0.0184 -0.0066 203 TYR B CB 1653 C CG . TYR A 204 ? 0.5031 0.4190 0.4276 -0.0085 0.0194 -0.0083 203 TYR B CG 1654 C CD1 . TYR A 204 ? 0.5073 0.4220 0.4329 -0.0070 0.0208 -0.0086 203 TYR B CD1 1655 C CD2 . TYR A 204 ? 0.5050 0.4198 0.4269 -0.0100 0.0189 -0.0098 203 TYR B CD2 1656 C CE1 . TYR A 204 ? 0.5135 0.4269 0.4378 -0.0072 0.0218 -0.0103 203 TYR B CE1 1657 C CE2 . TYR A 204 ? 0.5101 0.4233 0.4307 -0.0104 0.0197 -0.0111 203 TYR B CE2 1658 C CZ . TYR A 204 ? 0.5097 0.4227 0.4316 -0.0091 0.0212 -0.0114 203 TYR B CZ 1659 O OH . TYR A 204 ? 0.5070 0.4195 0.4277 -0.0095 0.0221 -0.0127 203 TYR B OH 1660 N N . HIS A 205 ? 0.5154 0.4439 0.4472 -0.0063 0.0176 -0.0012 204 HIS B N 1661 C CA . HIS A 205 ? 0.5226 0.4539 0.4559 -0.0059 0.0168 0.0010 204 HIS B CA 1662 C C . HIS A 205 ? 0.5342 0.4616 0.4688 -0.0043 0.0175 0.0025 204 HIS B C 1663 O O . HIS A 205 ? 0.5352 0.4585 0.4698 -0.0030 0.0187 0.0016 204 HIS B O 1664 C CB . HIS A 205 ? 0.5229 0.4612 0.4583 -0.0057 0.0164 0.0027 204 HIS B CB 1665 C CG . HIS A 205 ? 0.5268 0.4671 0.4650 -0.0035 0.0176 0.0044 204 HIS B CG 1666 N ND1 . HIS A 205 ? 0.5291 0.4708 0.4675 -0.0033 0.0184 0.0034 204 HIS B ND1 1667 C CD2 . HIS A 205 ? 0.5292 0.4706 0.4701 -0.0012 0.0180 0.0072 204 HIS B CD2 1668 C CE1 . HIS A 205 ? 0.5269 0.4711 0.4680 -0.0006 0.0194 0.0053 204 HIS B CE1 1669 N NE2 . HIS A 205 ? 0.5273 0.4709 0.4699 0.0008 0.0191 0.0076 204 HIS B NE2 1670 N N . PHE A 206 ? 0.5392 0.4677 0.4746 -0.0046 0.0166 0.0048 205 PHE B N 1671 C CA . PHE A 206 ? 0.5529 0.4781 0.4898 -0.0032 0.0169 0.0072 205 PHE B CA 1672 C C . PHE A 206 ? 0.5588 0.4895 0.4978 -0.0032 0.0159 0.0107 205 PHE B C 1673 O O . PHE A 206 ? 0.5503 0.4859 0.4886 -0.0049 0.0148 0.0108 205 PHE B O 1674 C CB . PHE A 206 ? 0.5657 0.4838 0.5005 -0.0044 0.0169 0.0062 205 PHE B CB 1675 C CG . PHE A 206 ? 0.5787 0.4988 0.5117 -0.0070 0.0156 0.0062 205 PHE B CG 1676 C CD1 . PHE A 206 ? 0.5896 0.5124 0.5235 -0.0079 0.0145 0.0093 205 PHE B CD1 1677 C CD2 . PHE A 206 ? 0.5859 0.5056 0.5163 -0.0084 0.0156 0.0033 205 PHE B CD2 1678 C CE1 . PHE A 206 ? 0.5950 0.5211 0.5274 -0.0101 0.0134 0.0094 205 PHE B CE1 1679 C CE2 . PHE A 206 ? 0.5912 0.5136 0.5199 -0.0101 0.0145 0.0033 205 PHE B CE2 1680 C CZ . PHE A 206 ? 0.5926 0.5186 0.5224 -0.0110 0.0135 0.0062 205 PHE B CZ 1681 N N . VAL A 207 ? 0.5686 0.4987 0.5100 -0.0010 0.0162 0.0135 206 VAL B N 1682 C CA . VAL A 207 ? 0.5759 0.5108 0.5194 -0.0008 0.0152 0.0175 206 VAL B CA 1683 C C . VAL A 207 ? 0.5915 0.5202 0.5346 -0.0015 0.0147 0.0197 206 VAL B C 1684 O O . VAL A 207 ? 0.5891 0.5097 0.5319 0.0000 0.0153 0.0197 206 VAL B O 1685 C CB . VAL A 207 ? 0.5774 0.5167 0.5240 0.0020 0.0158 0.0199 206 VAL B CB 1686 C CG1 . VAL A 207 ? 0.5738 0.5189 0.5227 0.0021 0.0147 0.0244 206 VAL B CG1 1687 C CG2 . VAL A 207 ? 0.5762 0.5220 0.5229 0.0017 0.0162 0.0177 206 VAL B CG2 1688 N N . MET A 208 ? 0.6031 0.5355 0.5457 -0.0040 0.0133 0.0214 207 MET B N 1689 C CA . MET A 208 ? 0.6259 0.5539 0.5680 -0.0055 0.0124 0.0241 207 MET B CA 1690 C C . MET A 208 ? 0.6424 0.5752 0.5872 -0.0049 0.0115 0.0292 207 MET B C 1691 O O . MET A 208 ? 0.6219 0.5640 0.5684 -0.0045 0.0112 0.0302 207 MET B O 1692 C CB . MET A 208 ? 0.6235 0.5525 0.5631 -0.0090 0.0115 0.0229 207 MET B CB 1693 C CG . MET A 208 ? 0.6169 0.5553 0.5559 -0.0100 0.0110 0.0214 207 MET B CG 1694 S SD . MET A 208 ? 0.6146 0.5537 0.5503 -0.0130 0.0102 0.0195 207 MET B SD 1695 C CE . MET A 208 ? 0.6197 0.5640 0.5564 -0.0154 0.0086 0.0247 207 MET B CE 1696 N N . GLN A 209 ? 0.6896 0.6156 0.6348 -0.0047 0.0111 0.0324 208 GLN B N 1697 C CA . GLN A 209 ? 0.7188 0.6476 0.6665 -0.0038 0.0102 0.0379 208 GLN B CA 1698 C C . GLN A 209 ? 0.7335 0.6582 0.6801 -0.0071 0.0086 0.0412 208 GLN B C 1699 O O . GLN A 209 ? 0.7350 0.6506 0.6791 -0.0088 0.0086 0.0396 208 GLN B O 1700 C CB . GLN A 209 ? 0.7384 0.6615 0.6879 0.0005 0.0112 0.0390 208 GLN B CB 1701 C CG . GLN A 209 ? 0.7585 0.6852 0.7109 0.0023 0.0104 0.0448 208 GLN B CG 1702 C CD . GLN A 209 ? 0.7839 0.7042 0.7377 0.0073 0.0114 0.0458 208 GLN B CD 1703 O OE1 . GLN A 209 ? 0.8064 0.7149 0.7588 0.0082 0.0112 0.0467 208 GLN B OE1 1704 N NE2 . GLN A 209 ? 0.7890 0.7170 0.7452 0.0106 0.0124 0.0457 208 GLN B NE2 1705 N N . ARG A 210 ? 0.7532 0.6851 0.7016 -0.0082 0.0073 0.0461 209 ARG B N 1706 C CA . ARG A 210 ? 0.7707 0.7007 0.7182 -0.0120 0.0056 0.0502 209 ARG B CA 1707 C C . ARG A 210 ? 0.7785 0.6965 0.7261 -0.0108 0.0051 0.0537 209 ARG B C 1708 O O . ARG A 210 ? 0.7820 0.6993 0.7320 -0.0069 0.0055 0.0561 209 ARG B O 1709 C CB . ARG A 210 ? 0.7880 0.7314 0.7375 -0.0135 0.0044 0.0542 209 ARG B CB 1710 C CG . ARG A 210 ? 0.8112 0.7572 0.7592 -0.0184 0.0026 0.0571 209 ARG B CG 1711 C CD . ARG A 210 ? 0.8242 0.7837 0.7744 -0.0195 0.0014 0.0618 209 ARG B CD 1712 N NE . ARG A 210 ? 0.8297 0.8012 0.7805 -0.0182 0.0021 0.0583 209 ARG B NE 1713 C CZ . ARG A 210 ? 0.8370 0.8143 0.7857 -0.0198 0.0022 0.0544 209 ARG B CZ 1714 N NH1 . ARG A 210 ? 0.8426 0.8165 0.7887 -0.0228 0.0017 0.0534 209 ARG B NH1 1715 N NH2 . ARG A 210 ? 0.8366 0.8233 0.7855 -0.0182 0.0027 0.0514 209 ARG B NH2 1716 N N . LEU A 211 ? 0.7925 0.7008 0.7374 -0.0140 0.0043 0.0539 210 LEU B N 1717 C CA . LEU A 211 ? 0.8047 0.7000 0.7488 -0.0136 0.0034 0.0572 210 LEU B CA 1718 C C . LEU A 211 ? 0.8161 0.7161 0.7622 -0.0154 0.0015 0.0646 210 LEU B C 1719 O O . LEU A 211 ? 0.8114 0.7220 0.7578 -0.0193 0.0004 0.0666 210 LEU B O 1720 C CB . LEU A 211 ? 0.8063 0.6905 0.7465 -0.0177 0.0028 0.0552 210 LEU B CB 1721 C CG . LEU A 211 ? 0.8100 0.6869 0.7479 -0.0160 0.0045 0.0484 210 LEU B CG 1722 C CD1 . LEU A 211 ? 0.8143 0.6832 0.7481 -0.0211 0.0035 0.0468 210 LEU B CD1 1723 C CD2 . LEU A 211 ? 0.8212 0.6882 0.7595 -0.0103 0.0057 0.0471 210 LEU B CD2 1724 N N . PRO A 212 ? 0.8445 0.7370 0.7919 -0.0124 0.0011 0.0688 211 PRO B N 1725 C CA . PRO A 212 ? 0.8558 0.7525 0.8050 -0.0142 -0.0008 0.0764 211 PRO B CA 1726 C C . PRO A 212 ? 0.8674 0.7590 0.8139 -0.0208 -0.0031 0.0799 211 PRO B C 1727 O O . PRO A 212 ? 0.8725 0.7503 0.8157 -0.0226 -0.0034 0.0779 211 PRO B O 1728 C CB . PRO A 212 ? 0.8670 0.7544 0.8175 -0.0087 -0.0006 0.0794 211 PRO B CB 1729 C CG . PRO A 212 ? 0.8632 0.7470 0.8137 -0.0033 0.0017 0.0732 211 PRO B CG 1730 C CD . PRO A 212 ? 0.8555 0.7365 0.8028 -0.0067 0.0024 0.0670 211 PRO B CD 1731 O OXT . PRO A 212 ? 0.8707 0.7724 0.8182 -0.0247 -0.0047 0.0847 211 PRO B OXT 1732 N N . ASP B 1 ? 0.9542 0.8706 0.8413 -0.0624 0.2016 0.0186 1 ASP C N 1733 C CA . ASP B 1 ? 0.9275 0.8651 0.8114 -0.0603 0.1823 0.0152 1 ASP C CA 1734 C C . ASP B 1 ? 0.8838 0.8285 0.7615 -0.0519 0.1741 0.0197 1 ASP C C 1735 O O . ASP B 1 ? 0.8999 0.8354 0.7751 -0.0453 0.1828 0.0268 1 ASP C O 1736 C CB . ASP B 1 ? 0.9342 0.8791 0.8252 -0.0734 0.1727 0.0011 1 ASP C CB 1737 C CG . ASP B 1 ? 0.9751 0.9181 0.8733 -0.0825 0.1809 -0.0050 1 ASP C CG 1738 O OD1 . ASP B 1 ? 0.9890 0.9274 0.8856 -0.0789 0.1910 0.0015 1 ASP C OD1 1739 O OD2 . ASP B 1 ? 0.9852 0.9333 0.8905 -0.0934 0.1774 -0.0167 1 ASP C OD2 1740 N N . ILE B 2 ? 0.8181 0.7789 0.6927 -0.0520 0.1584 0.0154 2 ILE C N 1741 C CA . ILE B 2 ? 0.7761 0.7469 0.6452 -0.0466 0.1498 0.0173 2 ILE C CA 1742 C C . ILE B 2 ? 0.7560 0.7211 0.6301 -0.0552 0.1469 0.0099 2 ILE C C 1743 O O . ILE B 2 ? 0.7517 0.7139 0.6316 -0.0656 0.1437 0.0006 2 ILE C O 1744 C CB . ILE B 2 ? 0.7590 0.7470 0.6225 -0.0457 0.1357 0.0138 2 ILE C CB 1745 C CG1 . ILE B 2 ? 0.7781 0.7733 0.6372 -0.0374 0.1385 0.0203 2 ILE C CG1 1746 C CG2 . ILE B 2 ? 0.7534 0.7540 0.6116 -0.0419 0.1279 0.0144 2 ILE C CG2 1747 C CD1 . ILE B 2 ? 0.7710 0.7817 0.6245 -0.0369 0.1263 0.0160 2 ILE C CD1 1748 N N . VAL B 3 ? 0.7320 0.6974 0.6037 -0.0500 0.1483 0.0141 3 VAL C N 1749 C CA . VAL B 3 ? 0.7013 0.6630 0.5771 -0.0571 0.1452 0.0077 3 VAL C CA 1750 C C . VAL B 3 ? 0.6660 0.6437 0.5366 -0.0564 0.1320 0.0054 3 VAL C C 1751 O O . VAL B 3 ? 0.6591 0.6499 0.5232 -0.0477 0.1294 0.0111 3 VAL C O 1752 C CB . VAL B 3 ? 0.7266 0.6746 0.6037 -0.0527 0.1583 0.0132 3 VAL C CB 1753 C CG1 . VAL B 3 ? 0.7247 0.6696 0.6068 -0.0608 0.1550 0.0055 3 VAL C CG1 1754 C CG2 . VAL B 3 ? 0.7442 0.6738 0.6251 -0.0539 0.1741 0.0156 3 VAL C CG2 1755 N N . ILE B 4 ? 0.6403 0.6180 0.5139 -0.0659 0.1243 -0.0032 4 ILE C N 1756 C CA . ILE B 4 ? 0.6224 0.6123 0.4910 -0.0685 0.1123 -0.0073 4 ILE C CA 1757 C C . ILE B 4 ? 0.6130 0.6022 0.4838 -0.0723 0.1108 -0.0102 4 ILE C C 1758 O O . ILE B 4 ? 0.6139 0.5930 0.4909 -0.0782 0.1139 -0.0145 4 ILE C O 1759 C CB . ILE B 4 ? 0.6217 0.6108 0.4896 -0.0763 0.1042 -0.0152 4 ILE C CB 1760 C CG1 . ILE B 4 ? 0.6208 0.6157 0.4836 -0.0720 0.1022 -0.0130 4 ILE C CG1 1761 C CG2 . ILE B 4 ? 0.6268 0.6206 0.4904 -0.0822 0.0945 -0.0211 4 ILE C CG2 1762 C CD1 . ILE B 4 ? 0.6127 0.6056 0.4736 -0.0776 0.0956 -0.0200 4 ILE C CD1 1763 N N . THR B 5 ? 0.6057 0.6079 0.4716 -0.0694 0.1058 -0.0089 5 THR C N 1764 C CA . THR B 5 ? 0.6054 0.6095 0.4727 -0.0733 0.1033 -0.0120 5 THR C CA 1765 C C . THR B 5 ? 0.6015 0.6170 0.4633 -0.0795 0.0925 -0.0178 5 THR C C 1766 O O . THR B 5 ? 0.6035 0.6318 0.4594 -0.0769 0.0888 -0.0170 5 THR C O 1767 C CB . THR B 5 ? 0.6118 0.6208 0.4787 -0.0636 0.1102 -0.0047 5 THR C CB 1768 O OG1 . THR B 5 ? 0.6067 0.6350 0.4669 -0.0552 0.1078 0.0000 5 THR C OG1 1769 C CG2 . THR B 5 ? 0.6262 0.6189 0.4969 -0.0575 0.1234 0.0012 5 THR C CG2 1770 N N . GLN B 6 ? 0.5924 0.6031 0.4559 -0.0880 0.0884 -0.0239 6 GLN C N 1771 C CA . GLN B 6 ? 0.5926 0.6084 0.4502 -0.0956 0.0800 -0.0299 6 GLN C CA 1772 C C . GLN B 6 ? 0.6058 0.6314 0.4632 -0.0976 0.0783 -0.0309 6 GLN C C 1773 O O . GLN B 6 ? 0.6224 0.6451 0.4852 -0.0958 0.0823 -0.0292 6 GLN C O 1774 C CB . GLN B 6 ? 0.5813 0.5842 0.4392 -0.1028 0.0770 -0.0356 6 GLN C CB 1775 C CG . GLN B 6 ? 0.5766 0.5742 0.4307 -0.1025 0.0753 -0.0367 6 GLN C CG 1776 C CD . GLN B 6 ? 0.5735 0.5615 0.4249 -0.1079 0.0716 -0.0421 6 GLN C CD 1777 O OE1 . GLN B 6 ? 0.5741 0.5568 0.4305 -0.1074 0.0737 -0.0433 6 GLN C OE1 1778 N NE2 . GLN B 6 ? 0.5614 0.5477 0.4043 -0.1128 0.0669 -0.0455 6 GLN C NE2 1779 N N . SER B 7 ? 0.6246 0.6616 0.4755 -0.1022 0.0729 -0.0345 7 SER C N 1780 C CA . SER B 7 ? 0.6396 0.6884 0.4898 -0.1058 0.0709 -0.0367 7 SER C CA 1781 C C . SER B 7 ? 0.6625 0.7148 0.5050 -0.1166 0.0652 -0.0439 7 SER C C 1782 O O . SER B 7 ? 0.6790 0.7294 0.5158 -0.1188 0.0635 -0.0464 7 SER C O 1783 C CB . SER B 7 ? 0.6332 0.7024 0.4838 -0.0963 0.0737 -0.0315 7 SER C CB 1784 O OG . SER B 7 ? 0.6348 0.7192 0.4801 -0.0944 0.0718 -0.0320 7 SER C OG 1785 N N . PRO B 8 ? 0.6817 0.7374 0.5235 -0.1236 0.0633 -0.0476 8 PRO C N 1786 C CA . PRO B 8 ? 0.6844 0.7388 0.5326 -0.1217 0.0652 -0.0456 8 PRO C CA 1787 C C . PRO B 8 ? 0.6917 0.7253 0.5438 -0.1227 0.0663 -0.0458 8 PRO C C 1788 O O . PRO B 8 ? 0.6889 0.7102 0.5367 -0.1272 0.0642 -0.0486 8 PRO C O 1789 C CB . PRO B 8 ? 0.6766 0.7410 0.5212 -0.1309 0.0621 -0.0508 8 PRO C CB 1790 C CG . PRO B 8 ? 0.6858 0.7480 0.5214 -0.1400 0.0594 -0.0565 8 PRO C CG 1791 C CD . PRO B 8 ? 0.6851 0.7396 0.5189 -0.1354 0.0600 -0.0548 8 PRO C CD 1792 N N . SER B 9 ? 0.7104 0.7414 0.5701 -0.1181 0.0702 -0.0431 9 SER C N 1793 C CA . SER B 9 ? 0.7375 0.7536 0.6024 -0.1190 0.0721 -0.0446 9 SER C CA 1794 C C . SER B 9 ? 0.7589 0.7699 0.6212 -0.1269 0.0680 -0.0496 9 SER C C 1795 O O . SER B 9 ? 0.7498 0.7510 0.6119 -0.1285 0.0673 -0.0519 9 SER C O 1796 C CB . SER B 9 ? 0.7439 0.7589 0.6172 -0.1136 0.0785 -0.0420 9 SER C CB 1797 O OG . SER B 9 ? 0.7733 0.7769 0.6524 -0.1158 0.0810 -0.0452 9 SER C OG 1798 N N . LEU B 10 ? 0.7895 0.8089 0.6495 -0.1311 0.0658 -0.0511 10 LEU C N 1799 C CA . LEU B 10 ? 0.8014 0.8166 0.6563 -0.1386 0.0625 -0.0549 10 LEU C CA 1800 C C . LEU B 10 ? 0.8039 0.8274 0.6508 -0.1447 0.0601 -0.0566 10 LEU C C 1801 O O . LEU B 10 ? 0.8125 0.8520 0.6613 -0.1432 0.0606 -0.0557 10 LEU C O 1802 C CB . LEU B 10 ? 0.8089 0.8269 0.6701 -0.1391 0.0634 -0.0561 10 LEU C CB 1803 C CG . LEU B 10 ? 0.8345 0.8501 0.6908 -0.1457 0.0607 -0.0592 10 LEU C CG 1804 C CD1 . LEU B 10 ? 0.8390 0.8413 0.6890 -0.1468 0.0594 -0.0604 10 LEU C CD1 1805 C CD2 . LEU B 10 ? 0.8405 0.8615 0.7048 -0.1447 0.0620 -0.0604 10 LEU C CD2 1806 N N . LEU B 11 ? 0.8122 0.8257 0.6495 -0.1513 0.0585 -0.0594 11 LEU C N 1807 C CA . LEU B 11 ? 0.8187 0.8378 0.6476 -0.1595 0.0578 -0.0628 11 LEU C CA 1808 C C . LEU B 11 ? 0.8258 0.8348 0.6468 -0.1680 0.0579 -0.0657 11 LEU C C 1809 O O . LEU B 11 ? 0.8412 0.8328 0.6574 -0.1670 0.0584 -0.0649 11 LEU C O 1810 C CB . LEU B 11 ? 0.8290 0.8423 0.6513 -0.1598 0.0579 -0.0640 11 LEU C CB 1811 C CG . LEU B 11 ? 0.8474 0.8678 0.6612 -0.1694 0.0582 -0.0695 11 LEU C CG 1812 C CD1 . LEU B 11 ? 0.8514 0.8985 0.6697 -0.1716 0.0576 -0.0712 11 LEU C CD1 1813 C CD2 . LEU B 11 ? 0.8494 0.8672 0.6588 -0.1677 0.0584 -0.0706 11 LEU C CD2 1814 N N . SER B 12 ? 0.8174 0.8388 0.6369 -0.1757 0.0580 -0.0687 12 SER C N 1815 C CA . SER B 12 ? 0.8070 0.8192 0.6174 -0.1856 0.0596 -0.0716 12 SER C CA 1816 C C . SER B 12 ? 0.7833 0.7948 0.5836 -0.1967 0.0618 -0.0773 12 SER C C 1817 O O . SER B 12 ? 0.7682 0.7994 0.5714 -0.1984 0.0611 -0.0802 12 SER C O 1818 C CB . SER B 12 ? 0.8190 0.8458 0.6352 -0.1877 0.0589 -0.0718 12 SER C CB 1819 O OG . SER B 12 ? 0.8281 0.8536 0.6530 -0.1786 0.0577 -0.0680 12 SER C OG 1820 N N . ALA B 13 ? 0.7729 0.7621 0.5605 -0.2038 0.0655 -0.0790 13 ALA C N 1821 C CA . ALA B 13 ? 0.7709 0.7535 0.5470 -0.2161 0.0697 -0.0856 13 ALA C CA 1822 C C . ALA B 13 ? 0.7834 0.7374 0.5447 -0.2228 0.0757 -0.0859 13 ALA C C 1823 O O . ALA B 13 ? 0.7734 0.7080 0.5308 -0.2142 0.0761 -0.0801 13 ALA C O 1824 C CB . ALA B 13 ? 0.7690 0.7473 0.5430 -0.2123 0.0694 -0.0867 13 ALA C CB 1825 N N . SER B 14 ? 0.7959 0.7475 0.5483 -0.2380 0.0812 -0.0927 14 SER C N 1826 C CA . SER B 14 ? 0.8120 0.7320 0.5476 -0.2451 0.0894 -0.0928 14 SER C CA 1827 C C . SER B 14 ? 0.8165 0.7097 0.5387 -0.2454 0.0945 -0.0945 14 SER C C 1828 O O . SER B 14 ? 0.7869 0.6894 0.5128 -0.2445 0.0921 -0.0981 14 SER C O 1829 C CB . SER B 14 ? 0.8209 0.7470 0.5518 -0.2627 0.0950 -0.0997 14 SER C CB 1830 O OG . SER B 14 ? 0.8258 0.7727 0.5593 -0.2742 0.0955 -0.1097 14 SER C OG 1831 N N . VAL B 15 ? 0.8430 0.7025 0.5489 -0.2454 0.1021 -0.0913 15 VAL C N 1832 C CA . VAL B 15 ? 0.8690 0.6973 0.5587 -0.2454 0.1092 -0.0925 15 VAL C CA 1833 C C . VAL B 15 ? 0.8899 0.7197 0.5742 -0.2636 0.1152 -0.1045 15 VAL C C 1834 O O . VAL B 15 ? 0.8934 0.7340 0.5780 -0.2791 0.1188 -0.1113 15 VAL C O 1835 C CB . VAL B 15 ? 0.8910 0.6824 0.5619 -0.2419 0.1183 -0.0860 15 VAL C CB 1836 C CG1 . VAL B 15 ? 0.9206 0.6752 0.5706 -0.2461 0.1295 -0.0889 15 VAL C CG1 1837 C CG2 . VAL B 15 ? 0.8720 0.6636 0.5471 -0.2218 0.1123 -0.0753 15 VAL C CG2 1838 N N . GLY B 16 ? 0.9038 0.7252 0.5837 -0.2619 0.1161 -0.1079 16 GLY C N 1839 C CA . GLY B 16 ? 0.9275 0.7547 0.6038 -0.2783 0.1210 -0.1208 16 GLY C CA 1840 C C . GLY B 16 ? 0.9084 0.7801 0.6027 -0.2796 0.1118 -0.1264 16 GLY C C 1841 O O . GLY B 16 ? 0.9085 0.7898 0.6010 -0.2903 0.1144 -0.1371 16 GLY C O 1842 N N . ASP B 17 ? 0.9002 0.7989 0.6108 -0.2685 0.1020 -0.1195 17 ASP C N 1843 C CA . ASP B 17 ? 0.8897 0.8294 0.6162 -0.2657 0.0939 -0.1222 17 ASP C CA 1844 C C . ASP B 17 ? 0.8758 0.8165 0.6051 -0.2542 0.0899 -0.1201 17 ASP C C 1845 O O . ASP B 17 ? 0.8489 0.7653 0.5736 -0.2426 0.0897 -0.1129 17 ASP C O 1846 C CB . ASP B 17 ? 0.8804 0.8439 0.6221 -0.2556 0.0862 -0.1144 17 ASP C CB 1847 C CG . ASP B 17 ? 0.8994 0.8726 0.6417 -0.2666 0.0885 -0.1172 17 ASP C CG 1848 O OD1 . ASP B 17 ? 0.9367 0.9089 0.6707 -0.2841 0.0953 -0.1270 17 ASP C OD1 1849 O OD2 . ASP B 17 ? 0.8794 0.8619 0.6307 -0.2581 0.0839 -0.1101 17 ASP C OD2 1850 N N . ARG B 18 ? 0.8769 0.8494 0.6138 -0.2569 0.0867 -0.1264 18 ARG C N 1851 C CA . ARG B 18 ? 0.8801 0.8612 0.6210 -0.2466 0.0826 -0.1250 18 ARG C CA 1852 C C . ARG B 18 ? 0.8453 0.8490 0.6018 -0.2307 0.0746 -0.1151 18 ARG C C 1853 O O . ARG B 18 ? 0.8429 0.8766 0.6084 -0.2316 0.0718 -0.1159 18 ARG C O 1854 C CB . ARG B 18 ? 0.8948 0.9017 0.6352 -0.2582 0.0842 -0.1377 18 ARG C CB 1855 C CG . ARG B 18 ? 0.9041 0.9228 0.6476 -0.2487 0.0807 -0.1375 18 ARG C CG 1856 C CD . ARG B 18 ? 0.8991 0.9632 0.6498 -0.2532 0.0782 -0.1460 18 ARG C CD 1857 N NE . ARG B 18 ? 0.8830 0.9648 0.6413 -0.2370 0.0726 -0.1397 18 ARG C NE 1858 C CZ . ARG B 18 ? 0.8925 0.9671 0.6462 -0.2341 0.0732 -0.1421 18 ARG C CZ 1859 N NH1 . ARG B 18 ? 0.9156 0.9643 0.6564 -0.2461 0.0795 -0.1512 18 ARG C NH1 1860 N NH2 . ARG B 18 ? 0.8799 0.9724 0.6412 -0.2187 0.0684 -0.1351 18 ARG C NH2 1861 N N . VAL B 19 ? 0.8218 0.8108 0.5807 -0.2162 0.0719 -0.1060 19 VAL C N 1862 C CA . VAL B 19 ? 0.7847 0.7906 0.5574 -0.2018 0.0663 -0.0971 19 VAL C CA 1863 C C . VAL B 19 ? 0.7573 0.7700 0.5339 -0.1911 0.0639 -0.0941 19 VAL C C 1864 O O . VAL B 19 ? 0.7571 0.7522 0.5256 -0.1909 0.0657 -0.0959 19 VAL C O 1865 C CB . VAL B 19 ? 0.7859 0.7732 0.5611 -0.1943 0.0655 -0.0889 19 VAL C CB 1866 C CG1 . VAL B 19 ? 0.7899 0.7750 0.5628 -0.2035 0.0674 -0.0908 19 VAL C CG1 1867 C CG2 . VAL B 19 ? 0.7953 0.7522 0.5617 -0.1893 0.0673 -0.0860 19 VAL C CG2 1868 N N . THR B 20 ? 0.7250 0.7627 0.5129 -0.1816 0.0607 -0.0893 20 THR C N 1869 C CA . THR B 20 ? 0.7096 0.7546 0.5019 -0.1700 0.0591 -0.0847 20 THR C CA 1870 C C . THR B 20 ? 0.6788 0.7249 0.4818 -0.1569 0.0579 -0.0746 20 THR C C 1871 O O . THR B 20 ? 0.6524 0.7125 0.4622 -0.1548 0.0575 -0.0719 20 THR C O 1872 C CB . THR B 20 ? 0.7173 0.7944 0.5108 -0.1705 0.0584 -0.0893 20 THR C CB 1873 O OG1 . THR B 20 ? 0.7252 0.8293 0.5250 -0.1706 0.0575 -0.0892 20 THR C OG1 1874 C CG2 . THR B 20 ? 0.7369 0.8122 0.5199 -0.1844 0.0607 -0.1012 20 THR C CG2 1875 N N . LEU B 21 ? 0.6635 0.6943 0.4677 -0.1489 0.0581 -0.0697 21 LEU C N 1876 C CA . LEU B 21 ? 0.6493 0.6796 0.4632 -0.1379 0.0585 -0.0615 21 LEU C CA 1877 C C . LEU B 21 ? 0.6322 0.6769 0.4494 -0.1286 0.0592 -0.0576 21 LEU C C 1878 O O . LEU B 21 ? 0.6226 0.6693 0.4341 -0.1297 0.0587 -0.0609 21 LEU C O 1879 C CB . LEU B 21 ? 0.6601 0.6663 0.4731 -0.1360 0.0588 -0.0596 21 LEU C CB 1880 C CG . LEU B 21 ? 0.6720 0.6604 0.4770 -0.1440 0.0586 -0.0635 21 LEU C CG 1881 C CD1 . LEU B 21 ? 0.6813 0.6530 0.4870 -0.1386 0.0589 -0.0605 21 LEU C CD1 1882 C CD2 . LEU B 21 ? 0.6747 0.6703 0.4820 -0.1499 0.0585 -0.0648 21 LEU C CD2 1883 N N . THR B 22 ? 0.6201 0.6743 0.4457 -0.1191 0.0613 -0.0505 22 THR C N 1884 C CA . THR B 22 ? 0.6225 0.6895 0.4504 -0.1084 0.0635 -0.0451 22 THR C CA 1885 C C . THR B 22 ? 0.6019 0.6552 0.4363 -0.0999 0.0675 -0.0378 22 THR C C 1886 O O . THR B 22 ? 0.5802 0.6231 0.4200 -0.0999 0.0695 -0.0359 22 THR C O 1887 C CB . THR B 22 ? 0.6275 0.7234 0.4567 -0.1028 0.0643 -0.0429 22 THR C CB 1888 O OG1 . THR B 22 ? 0.6335 0.7293 0.4693 -0.0933 0.0686 -0.0348 22 THR C OG1 1889 C CG2 . THR B 22 ? 0.6315 0.7417 0.4568 -0.1136 0.0611 -0.0512 22 THR C CG2 1890 N N . CYS B 23 ? 0.6040 0.6583 0.4376 -0.0934 0.0691 -0.0346 23 CYS C N 1891 C CA . CYS B 23 ? 0.6082 0.6506 0.4474 -0.0865 0.0740 -0.0285 23 CYS C CA 1892 C C . CYS B 23 ? 0.6131 0.6701 0.4524 -0.0750 0.0783 -0.0211 23 CYS C C 1893 O O . CYS B 23 ? 0.6055 0.6746 0.4397 -0.0731 0.0761 -0.0223 23 CYS C O 1894 C CB . CYS B 23 ? 0.6057 0.6331 0.4422 -0.0903 0.0719 -0.0321 23 CYS C CB 1895 S SG . CYS B 23 ? 0.6083 0.6224 0.4520 -0.0852 0.0776 -0.0276 23 CYS C SG 1896 N N . LYS B 24 ? 0.6274 0.6834 0.4716 -0.0669 0.0851 -0.0136 24 LYS C N 1897 C CA . LYS B 24 ? 0.6401 0.7082 0.4833 -0.0535 0.0912 -0.0045 24 LYS C CA 1898 C C . LYS B 24 ? 0.6280 0.6786 0.4753 -0.0479 0.0999 0.0020 24 LYS C C 1899 O O . LYS B 24 ? 0.6263 0.6601 0.4791 -0.0502 0.1052 0.0028 24 LYS C O 1900 C CB . LYS B 24 ? 0.6686 0.7495 0.5119 -0.0464 0.0944 0.0000 24 LYS C CB 1901 C CG . LYS B 24 ? 0.6978 0.8003 0.5376 -0.0524 0.0866 -0.0070 24 LYS C CG 1902 C CD . LYS B 24 ? 0.7227 0.8487 0.5607 -0.0417 0.0892 -0.0018 24 LYS C CD 1903 C CE . LYS B 24 ? 0.7388 0.8896 0.5737 -0.0500 0.0814 -0.0109 24 LYS C CE 1904 N NZ . LYS B 24 ? 0.7530 0.9327 0.5861 -0.0396 0.0831 -0.0070 24 LYS C NZ 1905 N N . GLY B 25 ? 0.6088 0.6643 0.4531 -0.0414 0.1018 0.0061 25 GLY C N 1906 C CA . GLY B 25 ? 0.6045 0.6449 0.4519 -0.0367 0.1108 0.0123 25 GLY C CA 1907 C C . GLY B 25 ? 0.6044 0.6461 0.4503 -0.0225 0.1221 0.0241 25 GLY C C 1908 O O . GLY B 25 ? 0.5986 0.6606 0.4392 -0.0127 0.1214 0.0287 25 GLY C O 1909 N N . SER B 26 ? 0.6044 0.6251 0.4545 -0.0213 0.1332 0.0288 26 SER C N 1910 C CA . SER B 26 ? 0.6266 0.6412 0.4739 -0.0074 0.1471 0.0411 26 SER C CA 1911 C C . SER B 26 ? 0.6425 0.6665 0.4839 0.0042 0.1512 0.0497 26 SER C C 1912 O O . SER B 26 ? 0.6375 0.6639 0.4732 0.0196 0.1612 0.0615 26 SER C O 1913 C CB . SER B 26 ? 0.6352 0.6214 0.4888 -0.0127 0.1591 0.0414 26 SER C CB 1914 O OG . SER B 26 ? 0.6320 0.6088 0.4896 -0.0204 0.1604 0.0376 26 SER C OG 1915 N N . GLN B 27 ? 0.6513 0.6796 0.4936 -0.0024 0.1441 0.0439 27 GLN C N 1916 C CA . GLN B 27 ? 0.6622 0.7029 0.4993 0.0065 0.1450 0.0495 27 GLN C CA 1917 C C . GLN B 27 ? 0.6488 0.7079 0.4842 -0.0003 0.1305 0.0397 27 GLN C C 1918 O O . GLN B 27 ? 0.6274 0.6860 0.4650 -0.0119 0.1211 0.0295 27 GLN C O 1919 C CB . GLN B 27 ? 0.6747 0.6960 0.5152 0.0045 0.1547 0.0525 27 GLN C CB 1920 C CG . GLN B 27 ? 0.7057 0.7039 0.5476 0.0089 0.1715 0.0609 27 GLN C CG 1921 C CD . GLN B 27 ? 0.7324 0.7164 0.5753 0.0091 0.1828 0.0655 27 GLN C CD 1922 O OE1 . GLN B 27 ? 0.7337 0.7198 0.5804 0.0002 0.1770 0.0584 27 GLN C OE1 1923 N NE2 . GLN B 27 ? 0.7676 0.7370 0.6064 0.0199 0.1998 0.0777 27 GLN C NE2 1924 N N . ASN B 28 ? 0.6596 0.7334 0.4901 0.0070 0.1296 0.0430 28 ASN C N 1925 C CA . ASN B 28 ? 0.6570 0.7470 0.4847 0.0011 0.1176 0.0335 28 ASN C CA 1926 C C . ASN B 28 ? 0.6384 0.7115 0.4701 -0.0121 0.1127 0.0243 28 ASN C C 1927 O O . ASN B 28 ? 0.6362 0.6945 0.4715 -0.0127 0.1190 0.0271 28 ASN C O 1928 C CB . ASN B 28 ? 0.6802 0.7910 0.5018 0.0130 0.1187 0.0392 28 ASN C CB 1929 C CG . ASN B 28 ? 0.6956 0.8331 0.5124 0.0107 0.1078 0.0304 28 ASN C CG 1930 O OD1 . ASN B 28 ? 0.7162 0.8760 0.5298 0.0165 0.1063 0.0314 28 ASN C OD1 1931 N ND2 . ASN B 28 ? 0.6936 0.8295 0.5095 0.0018 0.1005 0.0210 28 ASN C ND2 1932 N N . ILE B 29 ? 0.6215 0.6975 0.4518 -0.0222 0.1023 0.0134 29 ILE C N 1933 C CA . ILE B 29 ? 0.6059 0.6671 0.4380 -0.0331 0.0973 0.0048 29 ILE C CA 1934 C C . ILE B 29 ? 0.5988 0.6690 0.4248 -0.0337 0.0909 -0.0006 29 ILE C C 1935 O O . ILE B 29 ? 0.5990 0.6583 0.4254 -0.0379 0.0892 -0.0047 29 ILE C O 1936 C CB . ILE B 29 ? 0.6013 0.6541 0.4348 -0.0435 0.0919 -0.0027 29 ILE C CB 1937 C CG1 . ILE B 29 ? 0.5977 0.6380 0.4383 -0.0439 0.0989 0.0015 29 ILE C CG1 1938 C CG2 . ILE B 29 ? 0.6049 0.6457 0.4372 -0.0526 0.0860 -0.0115 29 ILE C CG2 1939 C CD1 . ILE B 29 ? 0.5932 0.6318 0.4346 -0.0507 0.0948 -0.0032 29 ILE C CD1 1940 N N . ASP B 30 ? 0.5921 0.6835 0.4123 -0.0292 0.0878 -0.0014 30 ASP C N 1941 C CA . ASP B 30 ? 0.5935 0.6954 0.4076 -0.0288 0.0831 -0.0066 30 ASP C CA 1942 C C . ASP B 30 ? 0.5736 0.6618 0.3839 -0.0401 0.0763 -0.0181 30 ASP C C 1943 O O . ASP B 30 ? 0.5671 0.6512 0.3741 -0.0401 0.0745 -0.0213 30 ASP C O 1944 C CB . ASP B 30 ? 0.6084 0.7107 0.4237 -0.0198 0.0888 0.0011 30 ASP C CB 1945 C CG . ASP B 30 ? 0.6290 0.7508 0.4379 -0.0149 0.0855 -0.0013 30 ASP C CG 1946 O OD1 . ASP B 30 ? 0.6383 0.7824 0.4428 -0.0127 0.0824 -0.0042 30 ASP C OD1 1947 O OD2 . ASP B 30 ? 0.6463 0.7629 0.4546 -0.0133 0.0861 -0.0011 30 ASP C OD2 1948 N N . ASN B 31 ? 0.5534 0.6341 0.3637 -0.0487 0.0733 -0.0234 31 ASN C N 1949 C CA . ASN B 31 ? 0.5422 0.6091 0.3468 -0.0588 0.0681 -0.0335 31 ASN C CA 1950 C C . ASN B 31 ? 0.5337 0.5779 0.3397 -0.0616 0.0681 -0.0345 31 ASN C C 1951 O O . ASN B 31 ? 0.5262 0.5576 0.3259 -0.0681 0.0648 -0.0416 31 ASN C O 1952 C CB . ASN B 31 ? 0.5453 0.6219 0.3408 -0.0610 0.0645 -0.0417 31 ASN C CB 1953 C CG . ASN B 31 ? 0.5441 0.6464 0.3380 -0.0613 0.0635 -0.0443 31 ASN C CG 1954 O OD1 . ASN B 31 ? 0.5508 0.6743 0.3466 -0.0520 0.0656 -0.0384 31 ASN C OD1 1955 N ND2 . ASN B 31 ? 0.5477 0.6495 0.3378 -0.0718 0.0610 -0.0530 31 ASN C ND2 1956 N N . TYR B 32 ? 0.5259 0.5657 0.3393 -0.0569 0.0726 -0.0277 32 TYR C N 1957 C CA . TYR B 32 ? 0.5262 0.5503 0.3419 -0.0594 0.0727 -0.0295 32 TYR C CA 1958 C C . TYR B 32 ? 0.5156 0.5310 0.3367 -0.0647 0.0735 -0.0298 32 TYR C C 1959 O O . TYR B 32 ? 0.4991 0.5117 0.3288 -0.0641 0.0784 -0.0258 32 TYR C O 1960 C CB . TYR B 32 ? 0.5340 0.5598 0.3554 -0.0537 0.0777 -0.0243 32 TYR C CB 1961 C CG . TYR B 32 ? 0.5382 0.5735 0.3547 -0.0476 0.0772 -0.0234 32 TYR C CG 1962 C CD1 . TYR B 32 ? 0.5466 0.5774 0.3571 -0.0472 0.0738 -0.0285 32 TYR C CD1 1963 C CD2 . TYR B 32 ? 0.5396 0.5894 0.3567 -0.0411 0.0805 -0.0172 32 TYR C CD2 1964 C CE1 . TYR B 32 ? 0.5558 0.5958 0.3618 -0.0415 0.0733 -0.0282 32 TYR C CE1 1965 C CE2 . TYR B 32 ? 0.5467 0.6072 0.3593 -0.0352 0.0799 -0.0166 32 TYR C CE2 1966 C CZ . TYR B 32 ? 0.5514 0.6067 0.3589 -0.0360 0.0762 -0.0225 32 TYR C CZ 1967 O OH . TYR B 32 ? 0.5680 0.6341 0.3709 -0.0302 0.0756 -0.0224 32 TYR C OH 1968 N N . LEU B 33 ? 0.5191 0.5302 0.3346 -0.0708 0.0693 -0.0351 33 LEU C N 1969 C CA . LEU B 33 ? 0.5162 0.5206 0.3351 -0.0762 0.0691 -0.0362 33 LEU C CA 1970 C C . LEU B 33 ? 0.5237 0.5149 0.3342 -0.0815 0.0650 -0.0428 33 LEU C C 1971 O O . LEU B 33 ? 0.5328 0.5217 0.3335 -0.0839 0.0625 -0.0475 33 LEU C O 1972 C CB . LEU B 33 ? 0.5177 0.5327 0.3371 -0.0778 0.0690 -0.0351 33 LEU C CB 1973 C CG . LEU B 33 ? 0.5177 0.5265 0.3414 -0.0829 0.0692 -0.0358 33 LEU C CG 1974 C CD1 . LEU B 33 ? 0.5115 0.5207 0.3456 -0.0790 0.0752 -0.0294 33 LEU C CD1 1975 C CD2 . LEU B 33 ? 0.5260 0.5432 0.3458 -0.0876 0.0667 -0.0388 33 LEU C CD2 1976 N N . ALA B 34 ? 0.5191 0.5016 0.3331 -0.0834 0.0653 -0.0434 34 ALA C N 1977 C CA . ALA B 34 ? 0.5247 0.4941 0.3301 -0.0861 0.0627 -0.0480 34 ALA C CA 1978 C C . ALA B 34 ? 0.5178 0.4837 0.3255 -0.0918 0.0623 -0.0489 34 ALA C C 1979 O O . ALA B 34 ? 0.5058 0.4790 0.3235 -0.0927 0.0643 -0.0460 34 ALA C O 1980 C CB . ALA B 34 ? 0.5276 0.4940 0.3341 -0.0812 0.0631 -0.0481 34 ALA C CB 1981 N N . TRP B 35 ? 0.5260 0.4796 0.3237 -0.0952 0.0605 -0.0525 35 TRP C N 1982 C CA . TRP B 35 ? 0.5312 0.4807 0.3298 -0.1005 0.0602 -0.0534 35 TRP C CA 1983 C C . TRP B 35 ? 0.5418 0.4788 0.3331 -0.0982 0.0598 -0.0547 35 TRP C C 1984 O O . TRP B 35 ? 0.5454 0.4699 0.3236 -0.0960 0.0598 -0.0565 35 TRP C O 1985 C CB . TRP B 35 ? 0.5367 0.4842 0.3284 -0.1080 0.0596 -0.0565 35 TRP C CB 1986 C CG . TRP B 35 ? 0.5298 0.4938 0.3277 -0.1100 0.0598 -0.0556 35 TRP C CG 1987 C CD1 . TRP B 35 ? 0.5342 0.5072 0.3294 -0.1092 0.0597 -0.0568 35 TRP C CD1 1988 C CD2 . TRP B 35 ? 0.5246 0.4994 0.3309 -0.1124 0.0602 -0.0536 35 TRP C CD2 1989 N NE1 . TRP B 35 ? 0.5302 0.5210 0.3315 -0.1099 0.0599 -0.0552 35 TRP C NE1 1990 C CE2 . TRP B 35 ? 0.5235 0.5149 0.3314 -0.1116 0.0604 -0.0531 35 TRP C CE2 1991 C CE3 . TRP B 35 ? 0.5238 0.4972 0.3361 -0.1143 0.0606 -0.0525 35 TRP C CE3 1992 C CZ2 . TRP B 35 ? 0.5187 0.5251 0.3334 -0.1114 0.0612 -0.0506 35 TRP C CZ2 1993 C CZ3 . TRP B 35 ? 0.5195 0.5058 0.3388 -0.1152 0.0614 -0.0505 35 TRP C CZ3 1994 C CH2 . TRP B 35 ? 0.5138 0.5164 0.3340 -0.1132 0.0619 -0.0492 35 TRP C CH2 1995 N N . TYR B 36 ? 0.5391 0.4797 0.3379 -0.0981 0.0599 -0.0540 36 TYR C N 1996 C CA . TYR B 36 ? 0.5521 0.4851 0.3442 -0.0949 0.0595 -0.0549 36 TYR C CA 1997 C C . TYR B 36 ? 0.5637 0.4955 0.3574 -0.0995 0.0594 -0.0554 36 TYR C C 1998 O O . TYR B 36 ? 0.5451 0.4856 0.3495 -0.1043 0.0596 -0.0551 36 TYR C O 1999 C CB . TYR B 36 ? 0.5451 0.4874 0.3428 -0.0878 0.0597 -0.0550 36 TYR C CB 2000 C CG . TYR B 36 ? 0.5242 0.4814 0.3383 -0.0898 0.0610 -0.0557 36 TYR C CG 2001 C CD1 . TYR B 36 ? 0.5181 0.4800 0.3361 -0.0909 0.0609 -0.0576 36 TYR C CD1 2002 C CD2 . TYR B 36 ? 0.5135 0.4794 0.3386 -0.0906 0.0634 -0.0547 36 TYR C CD2 2003 C CE1 . TYR B 36 ? 0.5058 0.4806 0.3387 -0.0940 0.0632 -0.0598 36 TYR C CE1 2004 C CE2 . TYR B 36 ? 0.5077 0.4837 0.3467 -0.0934 0.0666 -0.0559 36 TYR C CE2 2005 C CZ . TYR B 36 ? 0.5014 0.4818 0.3447 -0.0957 0.0666 -0.0591 36 TYR C CZ 2006 O OH . TYR B 36 ? 0.4892 0.4788 0.3463 -0.0996 0.0708 -0.0618 36 TYR C OH 2007 N N . GLN B 37 ? 0.5988 0.5193 0.3805 -0.0967 0.0596 -0.0555 37 GLN C N 2008 C CA . GLN B 37 ? 0.6167 0.5338 0.3964 -0.1000 0.0598 -0.0555 37 GLN C CA 2009 C C . GLN B 37 ? 0.6227 0.5498 0.4066 -0.0933 0.0592 -0.0556 37 GLN C C 2010 O O . GLN B 37 ? 0.6238 0.5531 0.4038 -0.0848 0.0592 -0.0555 37 GLN C O 2011 C CB . GLN B 37 ? 0.6397 0.5353 0.4008 -0.1017 0.0621 -0.0553 37 GLN C CB 2012 C CG . GLN B 37 ? 0.6536 0.5406 0.4057 -0.0995 0.0637 -0.0537 37 GLN C CG 2013 C CD . GLN B 37 ? 0.6832 0.5447 0.4155 -0.1016 0.0682 -0.0533 37 GLN C CD 2014 O OE1 . GLN B 37 ? 0.7120 0.5588 0.4294 -0.0926 0.0711 -0.0510 37 GLN C OE1 2015 N NE2 . GLN B 37 ? 0.6842 0.5404 0.4153 -0.1134 0.0697 -0.0556 37 GLN C NE2 2016 N N . GLN B 38 ? 0.6410 0.5764 0.4330 -0.0969 0.0588 -0.0565 38 GLN C N 2017 C CA . GLN B 38 ? 0.6607 0.6094 0.4577 -0.0918 0.0583 -0.0581 38 GLN C CA 2018 C C . GLN B 38 ? 0.6667 0.6139 0.4607 -0.0941 0.0583 -0.0578 38 GLN C C 2019 O O . GLN B 38 ? 0.6540 0.6066 0.4578 -0.1014 0.0581 -0.0591 38 GLN C O 2020 C CB . GLN B 38 ? 0.6566 0.6238 0.4722 -0.0945 0.0587 -0.0616 38 GLN C CB 2021 C CG . GLN B 38 ? 0.6609 0.6462 0.4829 -0.0906 0.0586 -0.0657 38 GLN C CG 2022 C CD . GLN B 38 ? 0.6631 0.6643 0.5023 -0.0945 0.0608 -0.0704 38 GLN C CD 2023 O OE1 . GLN B 38 ? 0.6772 0.6747 0.5249 -0.1007 0.0630 -0.0697 38 GLN C OE1 2024 N NE2 . GLN B 38 ? 0.6651 0.6846 0.5090 -0.0908 0.0612 -0.0754 38 GLN C NE2 2025 N N . LYS B 39 ? 0.7043 0.6440 0.4839 -0.0866 0.0591 -0.0556 39 LYS C N 2026 C CA . LYS B 39 ? 0.7246 0.6647 0.4998 -0.0860 0.0595 -0.0546 39 LYS C CA 2027 C C . LYS B 39 ? 0.7260 0.6909 0.5110 -0.0801 0.0580 -0.0580 39 LYS C C 2028 O O . LYS B 39 ? 0.7170 0.6945 0.5064 -0.0746 0.0574 -0.0604 39 LYS C O 2029 C CB . LYS B 39 ? 0.7496 0.6679 0.5025 -0.0795 0.0627 -0.0496 39 LYS C CB 2030 C CG . LYS B 39 ? 0.7667 0.6607 0.5089 -0.0860 0.0654 -0.0482 39 LYS C CG 2031 C CD . LYS B 39 ? 0.8052 0.6736 0.5242 -0.0807 0.0708 -0.0437 39 LYS C CD 2032 C CE . LYS B 39 ? 0.8350 0.6798 0.5426 -0.0862 0.0745 -0.0442 39 LYS C CE 2033 N NZ . LYS B 39 ? 0.8773 0.6927 0.5622 -0.0850 0.0820 -0.0406 39 LYS C NZ 2034 N N . LEU B 40 ? 0.7453 0.7194 0.5339 -0.0817 0.0576 -0.0592 40 LEU C N 2035 C CA . LEU B 40 ? 0.7563 0.7577 0.5563 -0.0783 0.0564 -0.0647 40 LEU C CA 2036 C C . LEU B 40 ? 0.7665 0.7773 0.5547 -0.0638 0.0565 -0.0632 40 LEU C C 2037 O O . LEU B 40 ? 0.7824 0.7773 0.5519 -0.0557 0.0582 -0.0567 40 LEU C O 2038 C CB . LEU B 40 ? 0.7685 0.7789 0.5763 -0.0844 0.0560 -0.0672 40 LEU C CB 2039 C CG . LEU B 40 ? 0.7659 0.8024 0.5936 -0.0887 0.0557 -0.0760 40 LEU C CG 2040 C CD1 . LEU B 40 ? 0.7624 0.7935 0.6037 -0.0994 0.0571 -0.0782 40 LEU C CD1 2041 C CD2 . LEU B 40 ? 0.7563 0.8085 0.5884 -0.0896 0.0552 -0.0796 40 LEU C CD2 2042 N N . GLY B 41 ? 0.7579 0.7945 0.5564 -0.0602 0.0554 -0.0693 41 GLY C N 2043 C CA . GLY B 41 ? 0.7762 0.8279 0.5650 -0.0452 0.0552 -0.0688 41 GLY C CA 2044 C C . GLY B 41 ? 0.8030 0.8406 0.5786 -0.0363 0.0561 -0.0640 41 GLY C C 2045 O O . GLY B 41 ? 0.8327 0.8867 0.6017 -0.0230 0.0559 -0.0642 41 GLY C O 2046 N N . GLU B 42 ? 0.7945 0.8047 0.5663 -0.0429 0.0571 -0.0603 42 GLU C N 2047 C CA . GLU B 42 ? 0.8052 0.7982 0.5627 -0.0350 0.0584 -0.0558 42 GLU C CA 2048 C C . GLU B 42 ? 0.7575 0.7560 0.5277 -0.0412 0.0574 -0.0597 42 GLU C C 2049 O O . GLU B 42 ? 0.7524 0.7563 0.5394 -0.0537 0.0567 -0.0637 42 GLU C O 2050 C CB . GLU B 42 ? 0.8463 0.8032 0.5867 -0.0372 0.0615 -0.0491 42 GLU C CB 2051 C CG . GLU B 42 ? 0.8867 0.8335 0.6106 -0.0294 0.0644 -0.0437 42 GLU C CG 2052 C CD . GLU B 42 ? 0.9286 0.8380 0.6350 -0.0335 0.0693 -0.0382 42 GLU C CD 2053 O OE1 . GLU B 42 ? 0.9404 0.8322 0.6448 -0.0402 0.0703 -0.0387 42 GLU C OE1 2054 O OE2 . GLU B 42 ? 0.9503 0.8486 0.6444 -0.0304 0.0728 -0.0338 42 GLU C OE2 2055 N N . ALA B 43 ? 0.7204 0.7174 0.4819 -0.0316 0.0578 -0.0581 43 ALA C N 2056 C CA . ALA B 43 ? 0.6827 0.6835 0.4539 -0.0361 0.0572 -0.0608 43 ALA C CA 2057 C C . ALA B 43 ? 0.6518 0.6278 0.4229 -0.0469 0.0579 -0.0584 43 ALA C C 2058 O O . ALA B 43 ? 0.6592 0.6104 0.4150 -0.0461 0.0595 -0.0539 43 ALA C O 2059 C CB . ALA B 43 ? 0.6855 0.6889 0.4450 -0.0223 0.0575 -0.0591 43 ALA C CB 2060 N N . PRO B 44 ? 0.6125 0.5958 0.4001 -0.0570 0.0576 -0.0615 44 PRO C N 2061 C CA . PRO B 44 ? 0.6077 0.5729 0.3952 -0.0653 0.0581 -0.0592 44 PRO C CA 2062 C C . PRO B 44 ? 0.6147 0.5621 0.3867 -0.0596 0.0588 -0.0562 44 PRO C C 2063 O O . PRO B 44 ? 0.6154 0.5687 0.3826 -0.0502 0.0587 -0.0563 44 PRO C O 2064 C CB . PRO B 44 ? 0.5930 0.5724 0.3990 -0.0723 0.0588 -0.0623 44 PRO C CB 2065 C CG . PRO B 44 ? 0.5888 0.5910 0.4068 -0.0723 0.0593 -0.0674 44 PRO C CG 2066 C CD . PRO B 44 ? 0.5980 0.6067 0.4045 -0.0613 0.0579 -0.0675 44 PRO C CD 2067 N N . LYS B 45 ? 0.6197 0.5468 0.3837 -0.0655 0.0597 -0.0543 45 LYS C N 2068 C CA . LYS B 45 ? 0.6445 0.5519 0.3923 -0.0619 0.0614 -0.0527 45 LYS C CA 2069 C C . LYS B 45 ? 0.6304 0.5349 0.3833 -0.0705 0.0611 -0.0540 45 LYS C C 2070 O O . LYS B 45 ? 0.6266 0.5293 0.3844 -0.0803 0.0611 -0.0546 45 LYS C O 2071 C CB . LYS B 45 ? 0.6804 0.5644 0.4097 -0.0607 0.0646 -0.0505 45 LYS C CB 2072 C CG . LYS B 45 ? 0.7224 0.5843 0.4312 -0.0526 0.0683 -0.0489 45 LYS C CG 2073 C CD . LYS B 45 ? 0.7563 0.5888 0.4476 -0.0576 0.0736 -0.0481 45 LYS C CD 2074 C CE . LYS B 45 ? 0.7699 0.5960 0.4529 -0.0531 0.0761 -0.0444 45 LYS C CE 2075 N NZ . LYS B 45 ? 0.7985 0.5994 0.4698 -0.0634 0.0815 -0.0447 45 LYS C NZ 2076 N N . LEU B 46 ? 0.6207 0.5273 0.3726 -0.0661 0.0610 -0.0543 46 LEU C N 2077 C CA . LEU B 46 ? 0.6073 0.5138 0.3628 -0.0722 0.0608 -0.0553 46 LEU C CA 2078 C C . LEU B 46 ? 0.6180 0.5036 0.3586 -0.0773 0.0630 -0.0568 46 LEU C C 2079 O O . LEU B 46 ? 0.6476 0.5147 0.3714 -0.0720 0.0657 -0.0567 46 LEU C O 2080 C CB . LEU B 46 ? 0.6060 0.5199 0.3624 -0.0653 0.0603 -0.0553 46 LEU C CB 2081 C CG . LEU B 46 ? 0.6025 0.5205 0.3635 -0.0699 0.0601 -0.0559 46 LEU C CG 2082 C CD1 . LEU B 46 ? 0.5833 0.5187 0.3624 -0.0749 0.0598 -0.0544 46 LEU C CD1 2083 C CD2 . LEU B 46 ? 0.6086 0.5282 0.3647 -0.0621 0.0602 -0.0560 46 LEU C CD2 2084 N N . LEU B 47 ? 0.6016 0.4905 0.3479 -0.0875 0.0626 -0.0585 47 LEU C N 2085 C CA . LEU B 47 ? 0.6085 0.4821 0.3431 -0.0954 0.0651 -0.0620 47 LEU C CA 2086 C C . LEU B 47 ? 0.6060 0.4849 0.3405 -0.0975 0.0649 -0.0650 47 LEU C C 2087 O O . LEU B 47 ? 0.6169 0.4803 0.3374 -0.0991 0.0679 -0.0688 47 LEU C O 2088 C CB . LEU B 47 ? 0.6010 0.4800 0.3421 -0.1057 0.0648 -0.0630 47 LEU C CB 2089 C CG . LEU B 47 ? 0.5924 0.4713 0.3367 -0.1047 0.0645 -0.0602 47 LEU C CG 2090 C CD1 . LEU B 47 ? 0.5772 0.4691 0.3332 -0.1135 0.0631 -0.0608 47 LEU C CD1 2091 C CD2 . LEU B 47 ? 0.6161 0.4711 0.3424 -0.1033 0.0685 -0.0601 47 LEU C CD2 2092 N N . ILE B 48 ? 0.5862 0.4866 0.3357 -0.0973 0.0622 -0.0633 48 ILE C N 2093 C CA . ILE B 48 ? 0.5820 0.4927 0.3332 -0.0987 0.0618 -0.0655 48 ILE C CA 2094 C C . ILE B 48 ? 0.5611 0.4884 0.3241 -0.0912 0.0603 -0.0612 48 ILE C C 2095 O O . ILE B 48 ? 0.5443 0.4814 0.3194 -0.0897 0.0598 -0.0573 48 ILE C O 2096 C CB . ILE B 48 ? 0.5873 0.5088 0.3423 -0.1087 0.0616 -0.0684 48 ILE C CB 2097 C CG1 . ILE B 48 ? 0.6096 0.5129 0.3503 -0.1179 0.0646 -0.0747 48 ILE C CG1 2098 C CG2 . ILE B 48 ? 0.5857 0.5263 0.3458 -0.1078 0.0606 -0.0692 48 ILE C CG2 2099 C CD1 . ILE B 48 ? 0.6143 0.5287 0.3546 -0.1288 0.0653 -0.0811 48 ILE C CD1 2100 N N . TYR B 49 ? 0.5622 0.4915 0.3210 -0.0871 0.0603 -0.0623 49 TYR C N 2101 C CA . TYR B 49 ? 0.5502 0.4957 0.3191 -0.0807 0.0598 -0.0585 49 TYR C CA 2102 C C . TYR B 49 ? 0.5483 0.5051 0.3162 -0.0820 0.0597 -0.0603 49 TYR C C 2103 O O . TYR B 49 ? 0.5589 0.5098 0.3167 -0.0873 0.0599 -0.0663 49 TYR C O 2104 C CB . TYR B 49 ? 0.5537 0.4946 0.3189 -0.0719 0.0599 -0.0575 49 TYR C CB 2105 C CG . TYR B 49 ? 0.5678 0.4955 0.3173 -0.0691 0.0604 -0.0616 49 TYR C CG 2106 C CD1 . TYR B 49 ? 0.5838 0.4899 0.3189 -0.0691 0.0620 -0.0643 49 TYR C CD1 2107 C CD2 . TYR B 49 ? 0.5707 0.5060 0.3187 -0.0657 0.0602 -0.0627 49 TYR C CD2 2108 C CE1 . TYR B 49 ? 0.6046 0.4949 0.3239 -0.0660 0.0640 -0.0681 49 TYR C CE1 2109 C CE2 . TYR B 49 ? 0.5866 0.5088 0.3198 -0.0631 0.0613 -0.0672 49 TYR C CE2 2110 C CZ . TYR B 49 ? 0.6051 0.5036 0.3238 -0.0634 0.0636 -0.0700 49 TYR C CZ 2111 O OH . TYR B 49 ? 0.6247 0.5067 0.3273 -0.0604 0.0662 -0.0745 49 TYR C OH 2112 N N . LYS B 50 ? 0.5362 0.5097 0.3143 -0.0773 0.0602 -0.0555 50 LYS C N 2113 C CA . LYS B 50 ? 0.5403 0.5299 0.3189 -0.0763 0.0602 -0.0557 50 LYS C CA 2114 C C . LYS B 50 ? 0.5408 0.5375 0.3170 -0.0841 0.0595 -0.0601 50 LYS C C 2115 O O . LYS B 50 ? 0.5503 0.5505 0.3186 -0.0877 0.0590 -0.0666 50 LYS C O 2116 C CB . LYS B 50 ? 0.5514 0.5385 0.3211 -0.0722 0.0597 -0.0592 50 LYS C CB 2117 C CG . LYS B 50 ? 0.5510 0.5585 0.3236 -0.0680 0.0600 -0.0576 50 LYS C CG 2118 C CD . LYS B 50 ? 0.5458 0.5638 0.3294 -0.0600 0.0622 -0.0487 50 LYS C CD 2119 C CE . LYS B 50 ? 0.5467 0.5867 0.3336 -0.0554 0.0635 -0.0450 50 LYS C CE 2120 N NZ . LYS B 50 ? 0.5574 0.6043 0.3357 -0.0534 0.0618 -0.0504 50 LYS C NZ 2121 N N . THR B 51 ? 0.5412 0.5408 0.3244 -0.0874 0.0598 -0.0574 51 THR C N 2122 C CA . THR B 51 ? 0.5441 0.5542 0.3268 -0.0945 0.0593 -0.0610 51 THR C CA 2123 C C . THR B 51 ? 0.5579 0.5543 0.3295 -0.1050 0.0589 -0.0702 51 THR C C 2124 O O . THR B 51 ? 0.5547 0.5499 0.3273 -0.1118 0.0590 -0.0716 51 THR C O 2125 C CB . THR B 51 ? 0.5451 0.5814 0.3296 -0.0915 0.0592 -0.0610 51 THR C CB 2126 O OG1 . THR B 51 ? 0.5345 0.5813 0.3284 -0.0813 0.0613 -0.0512 51 THR C OG1 2127 C CG2 . THR B 51 ? 0.5462 0.5985 0.3310 -0.0985 0.0586 -0.0652 51 THR C CG2 2128 N N . ASN B 52 ? 0.5667 0.5529 0.3273 -0.1066 0.0595 -0.0764 52 ASN C N 2129 C CA . ASN B 52 ? 0.5813 0.5533 0.3297 -0.1177 0.0614 -0.0860 52 ASN C CA 2130 C C . ASN B 52 ? 0.5960 0.5402 0.3303 -0.1170 0.0639 -0.0898 52 ASN C C 2131 O O . ASN B 52 ? 0.6096 0.5399 0.3320 -0.1263 0.0674 -0.0984 52 ASN C O 2132 C CB . ASN B 52 ? 0.5842 0.5787 0.3314 -0.1248 0.0615 -0.0940 52 ASN C CB 2133 C CG . ASN B 52 ? 0.5905 0.5960 0.3352 -0.1194 0.0611 -0.0964 52 ASN C CG 2134 O OD1 . ASN B 52 ? 0.5973 0.5925 0.3408 -0.1105 0.0608 -0.0919 52 ASN C OD1 2135 N ND2 . ASN B 52 ? 0.5965 0.6258 0.3407 -0.1248 0.0610 -0.1040 52 ASN C ND2 2136 N N . SER B 53 ? 0.5954 0.5312 0.3302 -0.1063 0.0632 -0.0837 53 SER C N 2137 C CA . SER B 53 ? 0.6201 0.5297 0.3405 -0.1031 0.0660 -0.0861 53 SER C CA 2138 C C . SER B 53 ? 0.6320 0.5214 0.3480 -0.1033 0.0676 -0.0832 53 SER C C 2139 O O . SER B 53 ? 0.6133 0.5091 0.3393 -0.0982 0.0652 -0.0764 53 SER C O 2140 C CB . SER B 53 ? 0.6119 0.5251 0.3339 -0.0908 0.0645 -0.0817 53 SER C CB 2141 O OG . SER B 53 ? 0.6038 0.5370 0.3298 -0.0900 0.0632 -0.0837 53 SER C OG 2142 N N . LEU B 54 ? 0.6710 0.5358 0.3716 -0.1094 0.0724 -0.0885 54 LEU C N 2143 C CA . LEU B 54 ? 0.7013 0.5454 0.3951 -0.1086 0.0749 -0.0854 54 LEU C CA 2144 C C . LEU B 54 ? 0.7244 0.5554 0.4110 -0.0944 0.0755 -0.0801 54 LEU C C 2145 O O . LEU B 54 ? 0.7393 0.5567 0.4135 -0.0895 0.0785 -0.0827 54 LEU C O 2146 C CB . LEU B 54 ? 0.7338 0.5541 0.4119 -0.1200 0.0817 -0.0927 54 LEU C CB 2147 C CG . LEU B 54 ? 0.7482 0.5492 0.4195 -0.1223 0.0853 -0.0898 54 LEU C CG 2148 C CD1 . LEU B 54 ? 0.7305 0.5525 0.4171 -0.1298 0.0813 -0.0883 54 LEU C CD1 2149 C CD2 . LEU B 54 ? 0.7810 0.5511 0.4323 -0.1319 0.0947 -0.0970 54 LEU C CD2 2150 N N . GLN B 55 ? 0.7345 0.5717 0.4289 -0.0875 0.0728 -0.0734 55 GLN C N 2151 C CA . GLN B 55 ? 0.7611 0.5897 0.4484 -0.0736 0.0734 -0.0687 55 GLN C CA 2152 C C . GLN B 55 ? 0.8099 0.6055 0.4746 -0.0714 0.0804 -0.0697 55 GLN C C 2153 O O . GLN B 55 ? 0.8120 0.5928 0.4701 -0.0814 0.0844 -0.0723 55 GLN C O 2154 C CB . GLN B 55 ? 0.7522 0.5966 0.4528 -0.0697 0.0698 -0.0634 55 GLN C CB 2155 C CG . GLN B 55 ? 0.7633 0.6059 0.4584 -0.0555 0.0700 -0.0592 55 GLN C CG 2156 C CD . GLN B 55 ? 0.7645 0.6220 0.4641 -0.0457 0.0677 -0.0583 55 GLN C CD 2157 O OE1 . GLN B 55 ? 0.7606 0.6263 0.4656 -0.0486 0.0664 -0.0604 55 GLN C OE1 2158 N NE2 . GLN B 55 ? 0.7692 0.6324 0.4663 -0.0335 0.0673 -0.0554 55 GLN C NE2 2159 N N . THR B 56 ? 0.8554 0.6393 0.5075 -0.0579 0.0827 -0.0676 56 THR C N 2160 C CA . THR B 56 ? 0.9194 0.6682 0.5469 -0.0533 0.0912 -0.0678 56 THR C CA 2161 C C . THR B 56 ? 0.9379 0.6757 0.5589 -0.0487 0.0939 -0.0622 56 THR C C 2162 O O . THR B 56 ? 0.9248 0.6819 0.5553 -0.0398 0.0891 -0.0570 56 THR C O 2163 C CB . THR B 56 ? 0.9488 0.6894 0.5637 -0.0376 0.0932 -0.0663 56 THR C CB 2164 O OG1 . THR B 56 ? 0.9384 0.7018 0.5626 -0.0239 0.0878 -0.0603 56 THR C OG1 2165 C CG2 . THR B 56 ? 0.9567 0.7053 0.5754 -0.0421 0.0916 -0.0725 56 THR C CG2 2166 N N . GLY B 57 ? 0.9752 0.6825 0.5794 -0.0551 0.1023 -0.0637 57 GLY C N 2167 C CA . GLY B 57 ? 0.9832 0.6779 0.5797 -0.0521 0.1060 -0.0583 57 GLY C CA 2168 C C . GLY B 57 ? 0.9608 0.6705 0.5729 -0.0668 0.1023 -0.0597 57 GLY C C 2169 O O . GLY B 57 ? 0.9630 0.6699 0.5731 -0.0641 0.1035 -0.0550 57 GLY C O 2170 N N . ILE B 58 ? 0.9320 0.6588 0.5590 -0.0811 0.0981 -0.0661 58 ILE C N 2171 C CA . ILE B 58 ? 0.9016 0.6449 0.5435 -0.0947 0.0946 -0.0679 58 ILE C CA 2172 C C . ILE B 58 ? 0.9131 0.6366 0.5444 -0.1110 0.1018 -0.0753 58 ILE C C 2173 O O . ILE B 58 ? 0.9071 0.6196 0.5300 -0.1155 0.1058 -0.0817 58 ILE C O 2174 C CB . ILE B 58 ? 0.8668 0.6453 0.5322 -0.0979 0.0856 -0.0694 58 ILE C CB 2175 C CG1 . ILE B 58 ? 0.8437 0.6411 0.5196 -0.0839 0.0800 -0.0634 58 ILE C CG1 2176 C CG2 . ILE B 58 ? 0.8522 0.6476 0.5316 -0.1108 0.0827 -0.0713 58 ILE C CG2 2177 C CD1 . ILE B 58 ? 0.8386 0.6394 0.5168 -0.0779 0.0791 -0.0582 58 ILE C CD1 2178 N N . PRO B 59 ? 0.9156 0.6359 0.5476 -0.1207 0.1040 -0.0754 59 PRO C N 2179 C CA . PRO B 59 ? 0.9352 0.6374 0.5567 -0.1377 0.1120 -0.0835 59 PRO C CA 2180 C C . PRO B 59 ? 0.9211 0.6471 0.5553 -0.1517 0.1083 -0.0929 59 PRO C C 2181 O O . PRO B 59 ? 0.8815 0.6402 0.5350 -0.1494 0.0990 -0.0915 59 PRO C O 2182 C CB . PRO B 59 ? 0.9392 0.6389 0.5615 -0.1436 0.1138 -0.0805 59 PRO C CB 2183 C CG . PRO B 59 ? 0.9255 0.6362 0.5545 -0.1276 0.1080 -0.0705 59 PRO C CG 2184 C CD . PRO B 59 ? 0.8980 0.6320 0.5402 -0.1178 0.0997 -0.0693 59 PRO C CD 2185 N N . SER B 60 ? 0.9446 0.6539 0.5668 -0.1661 0.1166 -0.1027 60 SER C N 2186 C CA . SER B 60 ? 0.9254 0.6570 0.5561 -0.1797 0.1147 -0.1135 60 SER C CA 2187 C C . SER B 60 ? 0.8862 0.6507 0.5344 -0.1905 0.1088 -0.1159 60 SER C C 2188 O O . SER B 60 ? 0.8740 0.6685 0.5340 -0.1958 0.1039 -0.1217 60 SER C O 2189 C CB . SER B 60 ? 0.9687 0.6724 0.5807 -0.1936 0.1267 -0.1249 60 SER C CB 2190 O OG . SER B 60 ? 1.0022 0.6790 0.5989 -0.1823 0.1316 -0.1233 60 SER C OG 2191 N N . ARG B 61 ? 0.8707 0.6309 0.5199 -0.1925 0.1096 -0.1112 61 ARG C N 2192 C CA . ARG B 61 ? 0.8364 0.6276 0.5019 -0.2006 0.1041 -0.1123 61 ARG C CA 2193 C C . ARG B 61 ? 0.7884 0.6146 0.4743 -0.1901 0.0930 -0.1066 61 ARG C C 2194 O O . ARG B 61 ? 0.7791 0.6352 0.4777 -0.1964 0.0888 -0.1099 61 ARG C O 2195 C CB . ARG B 61 ? 0.8505 0.6295 0.5128 -0.2029 0.1069 -0.1073 61 ARG C CB 2196 C CG . ARG B 61 ? 0.8482 0.6196 0.5120 -0.1858 0.1034 -0.0950 61 ARG C CG 2197 C CD . ARG B 61 ? 0.8570 0.6157 0.5152 -0.1896 0.1076 -0.0917 61 ARG C CD 2198 N NE . ARG B 61 ? 0.8560 0.6094 0.5144 -0.1738 0.1050 -0.0810 61 ARG C NE 2199 C CZ . ARG B 61 ? 0.8746 0.6006 0.5168 -0.1618 0.1103 -0.0752 61 ARG C CZ 2200 N NH1 . ARG B 61 ? 0.9058 0.6020 0.5290 -0.1628 0.1192 -0.0782 61 ARG C NH1 2201 N NH2 . ARG B 61 ? 0.8596 0.5894 0.5043 -0.1479 0.1069 -0.0666 61 ARG C NH2 2202 N N . PHE B 62 ? 0.7563 0.5790 0.4446 -0.1742 0.0892 -0.0984 62 PHE C N 2203 C CA . PHE B 62 ? 0.7209 0.5723 0.4269 -0.1647 0.0808 -0.0933 62 PHE C CA 2204 C C . PHE B 62 ? 0.7078 0.5746 0.4164 -0.1650 0.0792 -0.0984 62 PHE C C 2205 O O . PHE B 62 ? 0.7307 0.5807 0.4277 -0.1637 0.0828 -0.1018 62 PHE C O 2206 C CB . PHE B 62 ? 0.7154 0.5595 0.4232 -0.1491 0.0782 -0.0842 62 PHE C CB 2207 C CG . PHE B 62 ? 0.7064 0.5459 0.4163 -0.1466 0.0779 -0.0787 62 PHE C CG 2208 C CD1 . PHE B 62 ? 0.6830 0.5453 0.4094 -0.1463 0.0729 -0.0755 62 PHE C CD1 2209 C CD2 . PHE B 62 ? 0.7309 0.5430 0.4253 -0.1436 0.0832 -0.0764 62 PHE C CD2 2210 C CE1 . PHE B 62 ? 0.6855 0.5450 0.4140 -0.1442 0.0726 -0.0713 62 PHE C CE1 2211 C CE2 . PHE B 62 ? 0.7255 0.5359 0.4215 -0.1405 0.0829 -0.0713 62 PHE C CE2 2212 C CZ . PHE B 62 ? 0.7054 0.5404 0.4190 -0.1415 0.0772 -0.0693 62 PHE C CZ 2213 N N . SER B 63 ? 0.6760 0.5748 0.3993 -0.1655 0.0742 -0.0984 63 SER C N 2214 C CA . SER B 63 ? 0.6628 0.5809 0.3898 -0.1633 0.0721 -0.1015 63 SER C CA 2215 C C . SER B 63 ? 0.6309 0.5799 0.3748 -0.1555 0.0665 -0.0952 63 SER C C 2216 O O . SER B 63 ? 0.6181 0.5777 0.3709 -0.1557 0.0647 -0.0913 63 SER C O 2217 C CB . SER B 63 ? 0.6789 0.6039 0.3990 -0.1777 0.0758 -0.1140 63 SER C CB 2218 O OG . SER B 63 ? 0.6709 0.6256 0.4007 -0.1845 0.0735 -0.1167 63 SER C OG 2219 N N . GLY B 64 ? 0.6170 0.5796 0.3645 -0.1482 0.0646 -0.0940 64 GLY C N 2220 C CA . GLY B 64 ? 0.5972 0.5847 0.3586 -0.1388 0.0611 -0.0866 64 GLY C CA 2221 C C . GLY B 64 ? 0.5888 0.6043 0.3524 -0.1386 0.0602 -0.0904 64 GLY C C 2222 O O . GLY B 64 ? 0.6031 0.6179 0.3584 -0.1434 0.0616 -0.0984 64 GLY C O 2223 N N . SER B 65 ? 0.5733 0.6142 0.3477 -0.1323 0.0585 -0.0846 65 SER C N 2224 C CA . SER B 65 ? 0.5698 0.6412 0.3467 -0.1281 0.0577 -0.0858 65 SER C CA 2225 C C . SER B 65 ? 0.5539 0.6429 0.3417 -0.1151 0.0574 -0.0743 65 SER C C 2226 O O . SER B 65 ? 0.5465 0.6259 0.3404 -0.1121 0.0580 -0.0674 65 SER C O 2227 C CB . SER B 65 ? 0.5758 0.6685 0.3493 -0.1399 0.0579 -0.0969 65 SER C CB 2228 O OG . SER B 65 ? 0.5672 0.6779 0.3477 -0.1398 0.0572 -0.0939 65 SER C OG 2229 N N . GLY B 66 ? 0.5515 0.6658 0.3408 -0.1073 0.0574 -0.0726 66 GLY C N 2230 C CA . GLY B 66 ? 0.5443 0.6746 0.3416 -0.0933 0.0590 -0.0609 66 GLY C CA 2231 C C . GLY B 66 ? 0.5470 0.6858 0.3442 -0.0821 0.0601 -0.0557 66 GLY C C 2232 O O . GLY B 66 ? 0.5330 0.6651 0.3248 -0.0848 0.0590 -0.0612 66 GLY C O 2233 N N . SER B 67 ? 0.5572 0.7094 0.3599 -0.0689 0.0633 -0.0446 67 SER C N 2234 C CA . SER B 67 ? 0.5636 0.7258 0.3666 -0.0562 0.0659 -0.0371 67 SER C CA 2235 C C . SER B 67 ? 0.5684 0.7370 0.3768 -0.0425 0.0715 -0.0236 67 SER C C 2236 O O . SER B 67 ? 0.5641 0.7391 0.3749 -0.0420 0.0724 -0.0216 67 SER C O 2237 C CB . SER B 67 ? 0.5687 0.7628 0.3665 -0.0548 0.0636 -0.0437 67 SER C CB 2238 O OG . SER B 67 ? 0.5688 0.7923 0.3669 -0.0541 0.0629 -0.0457 67 SER C OG 2239 N N . GLY B 68 ? 0.5848 0.7514 0.3941 -0.0313 0.0761 -0.0144 68 GLY C N 2240 C CA . GLY B 68 ? 0.5948 0.7612 0.4077 -0.0175 0.0840 -0.0005 68 GLY C CA 2241 C C . GLY B 68 ? 0.6039 0.7431 0.4226 -0.0220 0.0874 0.0024 68 GLY C C 2242 O O . GLY B 68 ? 0.6075 0.7220 0.4296 -0.0269 0.0889 0.0022 68 GLY C O 2243 N N . THR B 69 ? 0.6098 0.7564 0.4298 -0.0206 0.0883 0.0040 69 THR C N 2244 C CA . THR B 69 ? 0.6146 0.7391 0.4402 -0.0225 0.0929 0.0078 69 THR C CA 2245 C C . THR B 69 ? 0.6156 0.7360 0.4427 -0.0354 0.0869 -0.0013 69 THR C C 2246 O O . THR B 69 ? 0.6205 0.7239 0.4523 -0.0380 0.0898 0.0003 69 THR C O 2247 C CB . THR B 69 ? 0.6210 0.7524 0.4464 -0.0065 0.1023 0.0207 69 THR C CB 2248 O OG1 . THR B 69 ? 0.6327 0.7356 0.4633 -0.0063 0.1106 0.0264 69 THR C OG1 2249 C CG2 . THR B 69 ? 0.6190 0.7733 0.4424 -0.0031 0.1002 0.0201 69 THR C CG2 2250 N N . ASP B 70 ? 0.6227 0.7574 0.4455 -0.0442 0.0793 -0.0116 70 ASP C N 2251 C CA . ASP B 70 ? 0.6252 0.7599 0.4482 -0.0557 0.0747 -0.0197 70 ASP C CA 2252 C C . ASP B 70 ? 0.6104 0.7363 0.4289 -0.0701 0.0686 -0.0316 70 ASP C C 2253 O O . ASP B 70 ? 0.6074 0.7483 0.4206 -0.0725 0.0657 -0.0378 70 ASP C O 2254 C CB . ASP B 70 ? 0.6465 0.8135 0.4675 -0.0512 0.0739 -0.0201 70 ASP C CB 2255 C CG . ASP B 70 ? 0.6710 0.8442 0.4945 -0.0356 0.0809 -0.0076 70 ASP C CG 2256 O OD1 . ASP B 70 ? 0.6846 0.8357 0.5127 -0.0353 0.0850 -0.0030 70 ASP C OD1 2257 O OD2 . ASP B 70 ? 0.7153 0.9155 0.5355 -0.0229 0.0830 -0.0024 70 ASP C OD2 2258 N N . TYR B 71 ? 0.5944 0.6958 0.4145 -0.0790 0.0674 -0.0347 71 TYR C N 2259 C CA . TYR B 71 ? 0.5869 0.6728 0.4013 -0.0906 0.0635 -0.0440 71 TYR C CA 2260 C C . TYR B 71 ? 0.5887 0.6665 0.4023 -0.1012 0.0616 -0.0494 71 TYR C C 2261 O O . TYR B 71 ? 0.5766 0.6528 0.3959 -0.0995 0.0631 -0.0453 71 TYR C O 2262 C CB . TYR B 71 ? 0.5753 0.6379 0.3908 -0.0886 0.0647 -0.0414 71 TYR C CB 2263 C CG . TYR B 71 ? 0.5707 0.6405 0.3869 -0.0788 0.0670 -0.0360 71 TYR C CG 2264 C CD1 . TYR B 71 ? 0.5646 0.6372 0.3872 -0.0684 0.0725 -0.0260 71 TYR C CD1 2265 C CD2 . TYR B 71 ? 0.5707 0.6441 0.3802 -0.0797 0.0647 -0.0410 71 TYR C CD2 2266 C CE1 . TYR B 71 ? 0.5652 0.6445 0.3876 -0.0591 0.0755 -0.0205 71 TYR C CE1 2267 C CE2 . TYR B 71 ? 0.5651 0.6468 0.3750 -0.0704 0.0668 -0.0359 71 TYR C CE2 2268 C CZ . TYR B 71 ? 0.5623 0.6474 0.3787 -0.0600 0.0722 -0.0254 71 TYR C CZ 2269 O OH . TYR B 71 ? 0.5544 0.6471 0.3705 -0.0507 0.0751 -0.0198 71 TYR C OH 2270 N N . THR B 72 ? 0.6015 0.6731 0.4072 -0.1122 0.0592 -0.0589 72 THR C N 2271 C CA . THR B 72 ? 0.6073 0.6682 0.4103 -0.1231 0.0583 -0.0642 72 THR C CA 2272 C C . THR B 72 ? 0.6176 0.6511 0.4122 -0.1297 0.0582 -0.0689 72 THR C C 2273 O O . THR B 72 ? 0.6193 0.6475 0.4077 -0.1293 0.0583 -0.0720 72 THR C O 2274 C CB . THR B 72 ? 0.6137 0.6970 0.4136 -0.1318 0.0574 -0.0720 72 THR C CB 2275 O OG1 . THR B 72 ? 0.6205 0.7127 0.4134 -0.1362 0.0571 -0.0798 72 THR C OG1 2276 C CG2 . THR B 72 ? 0.6066 0.7182 0.4138 -0.1236 0.0577 -0.0667 72 THR C CG2 2277 N N . LEU B 73 ? 0.6149 0.6316 0.4089 -0.1344 0.0584 -0.0690 73 LEU C N 2278 C CA . LEU B 73 ? 0.6305 0.6221 0.4141 -0.1412 0.0593 -0.0736 73 LEU C CA 2279 C C . LEU B 73 ? 0.6420 0.6346 0.4205 -0.1536 0.0604 -0.0802 73 LEU C C 2280 O O . LEU B 73 ? 0.6265 0.6306 0.4116 -0.1551 0.0596 -0.0784 73 LEU C O 2281 C CB . LEU B 73 ? 0.6332 0.6072 0.4195 -0.1360 0.0594 -0.0681 73 LEU C CB 2282 C CG . LEU B 73 ? 0.6448 0.5927 0.4196 -0.1386 0.0608 -0.0703 73 LEU C CG 2283 C CD1 . LEU B 73 ? 0.6519 0.5893 0.4188 -0.1339 0.0616 -0.0714 73 LEU C CD1 2284 C CD2 . LEU B 73 ? 0.6339 0.5739 0.4134 -0.1339 0.0604 -0.0655 73 LEU C CD2 2285 N N . THR B 74 ? 0.6727 0.6524 0.4389 -0.1629 0.0630 -0.0881 74 THR C N 2286 C CA . THR B 74 ? 0.6848 0.6612 0.4443 -0.1768 0.0658 -0.0954 74 THR C CA 2287 C C . THR B 74 ? 0.7009 0.6423 0.4475 -0.1804 0.0699 -0.0962 74 THR C C 2288 O O . THR B 74 ? 0.7021 0.6244 0.4407 -0.1758 0.0716 -0.0957 74 THR C O 2289 C CB . THR B 74 ? 0.6957 0.6889 0.4506 -0.1874 0.0675 -0.1063 74 THR C CB 2290 O OG1 . THR B 74 ? 0.6767 0.7057 0.4424 -0.1819 0.0639 -0.1048 74 THR C OG1 2291 C CG2 . THR B 74 ? 0.7114 0.7013 0.4595 -0.2039 0.0717 -0.1150 74 THR C CG2 2292 N N . ILE B 75 ? 0.7112 0.6457 0.4559 -0.1874 0.0718 -0.0966 75 ILE C N 2293 C CA . ILE B 75 ? 0.7432 0.6458 0.4735 -0.1926 0.0775 -0.0978 75 ILE C CA 2294 C C . ILE B 75 ? 0.7640 0.6704 0.4882 -0.2102 0.0824 -0.1079 75 ILE C C 2295 O O . ILE B 75 ? 0.7422 0.6663 0.4735 -0.2161 0.0810 -0.1088 75 ILE C O 2296 C CB . ILE B 75 ? 0.7425 0.6367 0.4761 -0.1862 0.0762 -0.0897 75 ILE C CB 2297 C CG1 . ILE B 75 ? 0.7236 0.6270 0.4690 -0.1713 0.0707 -0.0817 75 ILE C CG1 2298 C CG2 . ILE B 75 ? 0.7642 0.6241 0.4811 -0.1870 0.0826 -0.0886 75 ILE C CG2 2299 C CD1 . ILE B 75 ? 0.7191 0.6198 0.4696 -0.1658 0.0692 -0.0756 75 ILE C CD1 2300 N N . SER B 76 ? 0.7985 0.6893 0.5096 -0.2191 0.0885 -0.1164 76 SER C N 2301 C CA . SER B 76 ? 0.8202 0.7197 0.5265 -0.2379 0.0937 -0.1290 76 SER C CA 2302 C C . SER B 76 ? 0.8431 0.7297 0.5435 -0.2492 0.0993 -0.1304 76 SER C C 2303 O O . SER B 76 ? 0.8424 0.7529 0.5482 -0.2614 0.0994 -0.1374 76 SER C O 2304 C CB . SER B 76 ? 0.8456 0.7271 0.5381 -0.2455 0.1006 -0.1386 76 SER C CB 2305 O OG . SER B 76 ? 0.8720 0.7100 0.5484 -0.2415 0.1075 -0.1347 76 SER C OG 2306 N N . SER B 77 ? 0.8705 0.7213 0.5595 -0.2444 0.1040 -0.1238 77 SER C N 2307 C CA . SER B 77 ? 0.8826 0.7210 0.5668 -0.2511 0.1085 -0.1217 77 SER C CA 2308 C C . SER B 77 ? 0.8643 0.6875 0.5487 -0.2343 0.1055 -0.1085 77 SER C C 2309 O O . SER B 77 ? 0.8687 0.6642 0.5417 -0.2246 0.1088 -0.1036 77 SER C O 2310 C CB . SER B 77 ? 0.9207 0.7276 0.5854 -0.2675 0.1218 -0.1302 77 SER C CB 2311 O OG . SER B 77 ? 0.9473 0.7116 0.5949 -0.2591 0.1290 -0.1231 77 SER C OG 2312 N N . LEU B 78 ? 0.8456 0.6894 0.5430 -0.2309 0.0995 -0.1035 78 LEU C N 2313 C CA . LEU B 78 ? 0.8352 0.6741 0.5367 -0.2156 0.0953 -0.0926 78 LEU C CA 2314 C C . LEU B 78 ? 0.8697 0.6753 0.5544 -0.2142 0.1031 -0.0881 78 LEU C C 2315 O O . LEU B 78 ? 0.8766 0.6728 0.5534 -0.2266 0.1097 -0.0914 78 LEU C O 2316 C CB . LEU B 78 ? 0.8013 0.6710 0.5204 -0.2144 0.0882 -0.0902 78 LEU C CB 2317 C CG . LEU B 78 ? 0.7905 0.6623 0.5172 -0.2007 0.0834 -0.0811 78 LEU C CG 2318 C CD1 . LEU B 78 ? 0.7868 0.6584 0.5180 -0.1867 0.0794 -0.0768 78 LEU C CD1 2319 C CD2 . LEU B 78 ? 0.7717 0.6725 0.5145 -0.2021 0.0781 -0.0807 78 LEU C CD2 2320 N N . HIS B 79 ? 0.8918 0.6808 0.5706 -0.1988 0.1028 -0.0805 79 HIS C N 2321 C CA . HIS B 79 ? 0.9285 0.6890 0.5913 -0.1925 0.1096 -0.0739 79 HIS C CA 2322 C C . HIS B 79 ? 0.9215 0.6988 0.5955 -0.1817 0.1030 -0.0666 79 HIS C C 2323 O O . HIS B 79 ? 0.8982 0.7045 0.5912 -0.1793 0.0942 -0.0668 79 HIS C O 2324 C CB . HIS B 79 ? 0.9562 0.6894 0.6031 -0.1810 0.1144 -0.0707 79 HIS C CB 2325 C CG . HIS B 79 ? 0.9954 0.7021 0.6255 -0.1922 0.1246 -0.0779 79 HIS C CG 2326 N ND1 . HIS B 79 ? 1.0305 0.7013 0.6392 -0.1844 0.1338 -0.0749 79 HIS C ND1 2327 C CD2 . HIS B 79 ? 1.0107 0.7223 0.6419 -0.2109 0.1278 -0.0887 79 HIS C CD2 2328 C CE1 . HIS B 79 ? 1.0607 0.7126 0.6579 -0.1986 0.1427 -0.0840 79 HIS C CE1 2329 N NE2 . HIS B 79 ? 1.0491 0.7268 0.6602 -0.2155 0.1392 -0.0930 79 HIS C NE2 2330 N N . SER B 80 ? 0.9612 0.7201 0.6227 -0.1754 0.1081 -0.0602 80 SER C N 2331 C CA . SER B 80 ? 0.9516 0.7274 0.6227 -0.1654 0.1025 -0.0542 80 SER C CA 2332 C C . SER B 80 ? 0.9371 0.7233 0.6146 -0.1481 0.0964 -0.0498 80 SER C C 2333 O O . SER B 80 ? 0.8932 0.7053 0.5878 -0.1434 0.0888 -0.0492 80 SER C O 2334 C CB . SER B 80 ? 0.9881 0.7442 0.6435 -0.1640 0.1103 -0.0488 80 SER C CB 2335 O OG . SER B 80 ? 1.0216 0.7550 0.6596 -0.1483 0.1156 -0.0416 80 SER C OG 2336 N N . GLU B 81 ? 0.9666 0.7325 0.6300 -0.1392 0.1004 -0.0476 81 GLU C N 2337 C CA . GLU B 81 ? 0.9710 0.7476 0.6394 -0.1235 0.0953 -0.0446 81 GLU C CA 2338 C C . GLU B 81 ? 0.9296 0.7307 0.6179 -0.1261 0.0872 -0.0491 81 GLU C C 2339 O O . GLU B 81 ? 0.9249 0.7414 0.6221 -0.1154 0.0822 -0.0475 81 GLU C O 2340 C CB . GLU B 81 ? 1.0287 0.7770 0.6756 -0.1128 0.1024 -0.0410 81 GLU C CB 2341 C CG . GLU B 81 ? 1.0859 0.8113 0.7119 -0.1032 0.1107 -0.0337 81 GLU C CG 2342 C CD . GLU B 81 ? 1.1039 0.8513 0.7363 -0.0886 0.1057 -0.0282 81 GLU C CD 2343 O OE1 . GLU B 81 ? 1.1004 0.8753 0.7489 -0.0818 0.0972 -0.0297 81 GLU C OE1 2344 O OE2 . GLU B 81 ? 1.1325 0.8705 0.7535 -0.0843 0.1108 -0.0228 81 GLU C OE2 2345 N N . ASP B 82 ? 0.8958 0.7020 0.5905 -0.1398 0.0865 -0.0549 82 ASP C N 2346 C CA . ASP B 82 ? 0.8576 0.6883 0.5708 -0.1417 0.0796 -0.0581 82 ASP C CA 2347 C C . ASP B 82 ? 0.8291 0.6862 0.5615 -0.1406 0.0735 -0.0572 82 ASP C C 2348 O O . ASP B 82 ? 0.7877 0.6632 0.5348 -0.1396 0.0690 -0.0584 82 ASP C O 2349 C CB . ASP B 82 ? 0.8466 0.6790 0.5605 -0.1555 0.0810 -0.0645 82 ASP C CB 2350 C CG . ASP B 82 ? 0.8574 0.6658 0.5543 -0.1580 0.0872 -0.0675 82 ASP C CG 2351 O OD1 . ASP B 82 ? 0.8691 0.6615 0.5557 -0.1469 0.0894 -0.0640 82 ASP C OD1 2352 O OD2 . ASP B 82 ? 0.8577 0.6644 0.5513 -0.1713 0.0904 -0.0741 82 ASP C OD2 2353 N N . LEU B 83 ? 0.8539 0.7117 0.5857 -0.1410 0.0743 -0.0552 83 LEU C N 2354 C CA . LEU B 83 ? 0.8403 0.7204 0.5882 -0.1378 0.0695 -0.0544 83 LEU C CA 2355 C C . LEU B 83 ? 0.8252 0.7164 0.5818 -0.1269 0.0661 -0.0535 83 LEU C C 2356 O O . LEU B 83 ? 0.8548 0.7404 0.6034 -0.1169 0.0671 -0.0509 83 LEU C O 2357 C CB . LEU B 83 ? 0.8645 0.7406 0.6061 -0.1360 0.0715 -0.0517 83 LEU C CB 2358 C CG . LEU B 83 ? 0.8601 0.7585 0.6172 -0.1353 0.0675 -0.0522 83 LEU C CG 2359 C CD1 . LEU B 83 ? 0.8630 0.7696 0.6271 -0.1471 0.0669 -0.0549 83 LEU C CD1 2360 C CD2 . LEU B 83 ? 0.8671 0.7640 0.6169 -0.1275 0.0689 -0.0489 83 LEU C CD2 2361 N N . ALA B 84 ? 0.7836 0.6907 0.5554 -0.1286 0.0628 -0.0556 84 ALA C N 2362 C CA . ALA B 84 ? 0.7436 0.6622 0.5251 -0.1207 0.0607 -0.0557 84 ALA C CA 2363 C C . ALA B 84 ? 0.7109 0.6454 0.5094 -0.1244 0.0590 -0.0573 84 ALA C C 2364 O O . ALA B 84 ? 0.7097 0.6481 0.5120 -0.1313 0.0589 -0.0579 84 ALA C O 2365 C CB . ALA B 84 ? 0.7571 0.6646 0.5289 -0.1150 0.0617 -0.0548 84 ALA C CB 2366 N N . THR B 85 ? 0.6817 0.6256 0.4896 -0.1192 0.0585 -0.0579 85 THR C N 2367 C CA . THR B 85 ? 0.6518 0.6058 0.4729 -0.1208 0.0589 -0.0582 85 THR C CA 2368 C C . THR B 85 ? 0.6334 0.5833 0.4509 -0.1183 0.0591 -0.0571 85 THR C C 2369 O O . THR B 85 ? 0.6438 0.5895 0.4558 -0.1127 0.0590 -0.0571 85 THR C O 2370 C CB . THR B 85 ? 0.6407 0.6071 0.4753 -0.1184 0.0600 -0.0604 85 THR C CB 2371 O OG1 . THR B 85 ? 0.6534 0.6246 0.4898 -0.1196 0.0595 -0.0624 85 THR C OG1 2372 C CG2 . THR B 85 ? 0.6344 0.6075 0.4815 -0.1206 0.0626 -0.0600 85 THR C CG2 2373 N N . TYR B 86 ? 0.5997 0.5529 0.4202 -0.1213 0.0595 -0.0561 86 TYR C N 2374 C CA . TYR B 86 ? 0.5805 0.5318 0.3973 -0.1193 0.0597 -0.0553 86 TYR C CA 2375 C C . TYR B 86 ? 0.5633 0.5250 0.3923 -0.1160 0.0616 -0.0533 86 TYR C C 2376 O O . TYR B 86 ? 0.5577 0.5269 0.3951 -0.1173 0.0633 -0.0521 86 TYR C O 2377 C CB . TYR B 86 ? 0.5788 0.5282 0.3879 -0.1251 0.0592 -0.0563 86 TYR C CB 2378 C CG . TYR B 86 ? 0.5851 0.5193 0.3799 -0.1288 0.0595 -0.0585 86 TYR C CG 2379 C CD1 . TYR B 86 ? 0.5882 0.5195 0.3808 -0.1335 0.0597 -0.0591 86 TYR C CD1 2380 C CD2 . TYR B 86 ? 0.5961 0.5168 0.3786 -0.1269 0.0604 -0.0595 86 TYR C CD2 2381 C CE1 . TYR B 86 ? 0.6012 0.5155 0.3793 -0.1364 0.0617 -0.0602 86 TYR C CE1 2382 C CE2 . TYR B 86 ? 0.6122 0.5146 0.3797 -0.1296 0.0627 -0.0608 86 TYR C CE2 2383 C CZ . TYR B 86 ? 0.6126 0.5113 0.3777 -0.1344 0.0636 -0.0609 86 TYR C CZ 2384 O OH . TYR B 86 ? 0.6299 0.5082 0.3789 -0.1367 0.0674 -0.0614 86 TYR C OH 2385 N N . TYR B 87 ? 0.5598 0.5208 0.3888 -0.1111 0.0623 -0.0528 87 TYR C N 2386 C CA . TYR B 87 ? 0.5495 0.5179 0.3888 -0.1079 0.0656 -0.0507 87 TYR C CA 2387 C C . TYR B 87 ? 0.5480 0.5167 0.3822 -0.1049 0.0654 -0.0487 87 TYR C C 2388 O O . TYR B 87 ? 0.5532 0.5155 0.3776 -0.1036 0.0631 -0.0503 87 TYR C O 2389 C CB . TYR B 87 ? 0.5477 0.5186 0.3928 -0.1054 0.0672 -0.0529 87 TYR C CB 2390 C CG . TYR B 87 ? 0.5464 0.5211 0.3987 -0.1083 0.0682 -0.0560 87 TYR C CG 2391 C CD1 . TYR B 87 ? 0.5547 0.5274 0.4007 -0.1086 0.0650 -0.0584 87 TYR C CD1 2392 C CD2 . TYR B 87 ? 0.5473 0.5271 0.4121 -0.1104 0.0734 -0.0566 87 TYR C CD2 2393 C CE1 . TYR B 87 ? 0.5529 0.5319 0.4055 -0.1109 0.0657 -0.0617 87 TYR C CE1 2394 C CE2 . TYR B 87 ? 0.5501 0.5343 0.4216 -0.1137 0.0747 -0.0608 87 TYR C CE2 2395 C CZ . TYR B 87 ? 0.5584 0.5439 0.4242 -0.1139 0.0702 -0.0636 87 TYR C CZ 2396 O OH . TYR B 87 ? 0.5730 0.5656 0.4456 -0.1169 0.0712 -0.0682 87 TYR C OH 2397 N N . CYS B 88 ? 0.5406 0.5165 0.3806 -0.1029 0.0683 -0.0451 88 CYS C N 2398 C CA . CYS B 88 ? 0.5429 0.5222 0.3801 -0.0985 0.0689 -0.0428 88 CYS C CA 2399 C C . CYS B 88 ? 0.5200 0.5007 0.3654 -0.0945 0.0735 -0.0407 88 CYS C C 2400 O O . CYS B 88 ? 0.5092 0.4898 0.3636 -0.0958 0.0777 -0.0406 88 CYS C O 2401 C CB . CYS B 88 ? 0.5585 0.5477 0.3951 -0.0974 0.0695 -0.0398 88 CYS C CB 2402 S SG . CYS B 88 ? 0.5799 0.5763 0.4267 -0.0939 0.0755 -0.0340 88 CYS C SG 2403 N N . TYR B 89 ? 0.4951 0.4769 0.3371 -0.0905 0.0734 -0.0399 89 TYR C N 2404 C CA . TYR B 89 ? 0.4805 0.4650 0.3300 -0.0873 0.0788 -0.0376 89 TYR C CA 2405 C C . TYR B 89 ? 0.4742 0.4632 0.3198 -0.0819 0.0793 -0.0343 89 TYR C C 2406 O O . TYR B 89 ? 0.4744 0.4639 0.3108 -0.0808 0.0746 -0.0357 89 TYR C O 2407 C CB . TYR B 89 ? 0.4685 0.4520 0.3216 -0.0889 0.0790 -0.0423 89 TYR C CB 2408 C CG . TYR B 89 ? 0.4668 0.4501 0.3117 -0.0855 0.0748 -0.0449 89 TYR C CG 2409 C CD1 . TYR B 89 ? 0.4670 0.4550 0.3128 -0.0815 0.0770 -0.0436 89 TYR C CD1 2410 C CD2 . TYR B 89 ? 0.4684 0.4460 0.3038 -0.0855 0.0696 -0.0482 89 TYR C CD2 2411 C CE1 . TYR B 89 ? 0.4707 0.4590 0.3085 -0.0772 0.0733 -0.0459 89 TYR C CE1 2412 C CE2 . TYR B 89 ? 0.4760 0.4515 0.3023 -0.0807 0.0669 -0.0499 89 TYR C CE2 2413 C CZ . TYR B 89 ? 0.4763 0.4578 0.3040 -0.0764 0.0684 -0.0490 89 TYR C CZ 2414 O OH . TYR B 89 ? 0.4800 0.4597 0.2979 -0.0705 0.0659 -0.0506 89 TYR C OH 2415 N N . GLN B 90 ? 0.4659 0.4573 0.3185 -0.0790 0.0860 -0.0304 90 GLN C N 2416 C CA . GLN B 90 ? 0.4664 0.4634 0.3173 -0.0729 0.0889 -0.0251 90 GLN C CA 2417 C C . GLN B 90 ? 0.4617 0.4594 0.3159 -0.0717 0.0922 -0.0259 90 GLN C C 2418 O O . GLN B 90 ? 0.4596 0.4550 0.3219 -0.0754 0.0973 -0.0278 90 GLN C O 2419 C CB . GLN B 90 ? 0.4687 0.4668 0.3244 -0.0697 0.0964 -0.0180 90 GLN C CB 2420 C CG . GLN B 90 ? 0.4745 0.4767 0.3306 -0.0622 0.1034 -0.0105 90 GLN C CG 2421 C CD . GLN B 90 ? 0.4740 0.4699 0.3375 -0.0636 0.1122 -0.0095 90 GLN C CD 2422 O OE1 . GLN B 90 ? 0.4781 0.4776 0.3404 -0.0606 0.1136 -0.0081 90 GLN C OE1 2423 N NE2 . GLN B 90 ? 0.4701 0.4573 0.3411 -0.0688 0.1188 -0.0110 90 GLN C NE2 2424 N N . TYR B 91 ? 0.4597 0.4622 0.3079 -0.0672 0.0895 -0.0254 91 TYR C N 2425 C CA . TYR B 91 ? 0.4610 0.4662 0.3110 -0.0659 0.0912 -0.0271 91 TYR C CA 2426 C C . TYR B 91 ? 0.4716 0.4835 0.3205 -0.0596 0.0949 -0.0217 91 TYR C C 2427 O O . TYR B 91 ? 0.4657 0.4818 0.3125 -0.0575 0.0934 -0.0240 91 TYR C O 2428 C CB . TYR B 91 ? 0.4540 0.4579 0.2969 -0.0664 0.0835 -0.0339 91 TYR C CB 2429 C CG . TYR B 91 ? 0.4504 0.4515 0.2811 -0.0640 0.0768 -0.0352 91 TYR C CG 2430 C CD1 . TYR B 91 ? 0.4472 0.4421 0.2733 -0.0678 0.0732 -0.0371 91 TYR C CD1 2431 C CD2 . TYR B 91 ? 0.4505 0.4551 0.2742 -0.0589 0.0748 -0.0354 91 TYR C CD2 2432 C CE1 . TYR B 91 ? 0.4506 0.4421 0.2653 -0.0678 0.0687 -0.0398 91 TYR C CE1 2433 C CE2 . TYR B 91 ? 0.4519 0.4528 0.2641 -0.0582 0.0700 -0.0382 91 TYR C CE2 2434 C CZ . TYR B 91 ? 0.4539 0.4481 0.2618 -0.0632 0.0674 -0.0407 91 TYR C CZ 2435 O OH . TYR B 91 ? 0.4572 0.4472 0.2538 -0.0644 0.0641 -0.0448 91 TYR C OH 2436 N N . ILE B 92 ? 0.4831 0.4969 0.3330 -0.0557 0.1002 -0.0143 92 ILE C N 2437 C CA . ILE B 92 ? 0.5005 0.5206 0.3500 -0.0489 0.1059 -0.0077 92 ILE C CA 2438 C C . ILE B 92 ? 0.5108 0.5255 0.3684 -0.0494 0.1185 -0.0023 92 ILE C C 2439 O O . ILE B 92 ? 0.5161 0.5342 0.3746 -0.0462 0.1239 0.0010 92 ILE C O 2440 C CB . ILE B 92 ? 0.5083 0.5378 0.3512 -0.0409 0.1049 -0.0015 92 ILE C CB 2441 C CG1 . ILE B 92 ? 0.5128 0.5437 0.3524 -0.0425 0.0997 -0.0033 92 ILE C CG1 2442 C CG2 . ILE B 92 ? 0.5086 0.5481 0.3446 -0.0363 0.0998 -0.0032 92 ILE C CG2 2443 C CD1 . ILE B 92 ? 0.5193 0.5448 0.3642 -0.0425 0.1065 0.0017 92 ILE C CD1 2444 N N . ASN B 93 ? 0.5080 0.5138 0.3710 -0.0532 0.1240 -0.0013 93 ASN C N 2445 C CA . ASN B 93 ? 0.5217 0.5180 0.3913 -0.0544 0.1381 0.0034 93 ASN C CA 2446 C C . ASN B 93 ? 0.5168 0.5049 0.3944 -0.0648 0.1404 -0.0040 93 ASN C C 2447 O O . ASN B 93 ? 0.5163 0.4983 0.3948 -0.0661 0.1407 -0.0037 93 ASN C O 2448 C CB . ASN B 93 ? 0.5401 0.5335 0.4058 -0.0452 0.1452 0.0145 93 ASN C CB 2449 C CG . ASN B 93 ? 0.5569 0.5370 0.4266 -0.0442 0.1623 0.0215 93 ASN C CG 2450 O OD1 . ASN B 93 ? 0.5559 0.5348 0.4275 -0.0451 0.1694 0.0227 93 ASN C OD1 2451 N ND2 . ASN B 93 ? 0.5691 0.5381 0.4392 -0.0423 0.1699 0.0261 93 ASN C ND2 2452 N N . GLY B 94 ? 0.5143 0.5050 0.3977 -0.0720 0.1418 -0.0114 94 GLY C N 2453 C CA . GLY B 94 ? 0.5043 0.4944 0.3945 -0.0817 0.1405 -0.0213 94 GLY C CA 2454 C C . GLY B 94 ? 0.4897 0.4840 0.3751 -0.0814 0.1270 -0.0258 94 GLY C C 2455 O O . GLY B 94 ? 0.4825 0.4812 0.3593 -0.0754 0.1181 -0.0239 94 GLY C O 2456 N N . TYR B 95 ? 0.4839 0.4764 0.3744 -0.0884 0.1264 -0.0324 95 TYR C N 2457 C CA . TYR B 95 ? 0.4734 0.4680 0.3594 -0.0887 0.1154 -0.0365 95 TYR C CA 2458 C C . TYR B 95 ? 0.4782 0.4653 0.3686 -0.0929 0.1187 -0.0371 95 TYR C C 2459 O O . TYR B 95 ? 0.4778 0.4647 0.3766 -0.1001 0.1243 -0.0431 95 TYR C O 2460 C CB . TYR B 95 ? 0.4633 0.4681 0.3502 -0.0917 0.1100 -0.0454 95 TYR C CB 2461 C CG . TYR B 95 ? 0.4576 0.4706 0.3396 -0.0866 0.1067 -0.0455 95 TYR C CG 2462 C CD1 . TYR B 95 ? 0.4535 0.4659 0.3241 -0.0800 0.0975 -0.0436 95 TYR C CD1 2463 C CD2 . TYR B 95 ? 0.4575 0.4788 0.3460 -0.0891 0.1133 -0.0483 95 TYR C CD2 2464 C CE1 . TYR B 95 ? 0.4547 0.4737 0.3200 -0.0747 0.0948 -0.0439 95 TYR C CE1 2465 C CE2 . TYR B 95 ? 0.4581 0.4883 0.3419 -0.0839 0.1100 -0.0483 95 TYR C CE2 2466 C CZ . TYR B 95 ? 0.4568 0.4854 0.3287 -0.0760 0.1005 -0.0459 95 TYR C CZ 2467 O OH . TYR B 95 ? 0.4587 0.4952 0.3249 -0.0700 0.0973 -0.0462 95 TYR C OH 2468 N N . THR B 96 ? 0.4891 0.4719 0.3740 -0.0887 0.1156 -0.0315 96 THR C N 2469 C CA . THR B 96 ? 0.4963 0.4733 0.3843 -0.0916 0.1176 -0.0318 96 THR C CA 2470 C C . THR B 96 ? 0.5009 0.4808 0.3822 -0.0913 0.1066 -0.0336 96 THR C C 2471 O O . THR B 96 ? 0.4941 0.4777 0.3670 -0.0874 0.0996 -0.0320 96 THR C O 2472 C CB . THR B 96 ? 0.5013 0.4708 0.3894 -0.0865 0.1268 -0.0229 96 THR C CB 2473 O OG1 . THR B 96 ? 0.5003 0.4753 0.3799 -0.0781 0.1221 -0.0160 96 THR C OG1 2474 C CG2 . THR B 96 ? 0.5121 0.4745 0.4056 -0.0872 0.1403 -0.0205 96 THR C CG2 2475 N N . PHE B 97 ? 0.5159 0.4936 0.4007 -0.0960 0.1060 -0.0374 97 PHE C N 2476 C CA . PHE B 97 ? 0.5279 0.5075 0.4070 -0.0975 0.0968 -0.0403 97 PHE C CA 2477 C C . PHE B 97 ? 0.5471 0.5243 0.4267 -0.0974 0.0980 -0.0372 97 PHE C C 2478 O O . PHE B 97 ? 0.5516 0.5245 0.4375 -0.0975 0.1063 -0.0352 97 PHE C O 2479 C CB . PHE B 97 ? 0.5239 0.5066 0.4066 -0.1027 0.0944 -0.0485 97 PHE C CB 2480 C CG . PHE B 97 ? 0.5168 0.5055 0.3981 -0.1015 0.0924 -0.0519 97 PHE C CG 2481 C CD1 . PHE B 97 ? 0.5175 0.5096 0.4061 -0.1028 0.0996 -0.0533 97 PHE C CD1 2482 C CD2 . PHE B 97 ? 0.5151 0.5054 0.3869 -0.0987 0.0843 -0.0538 97 PHE C CD2 2483 C CE1 . PHE B 97 ? 0.5185 0.5191 0.4059 -0.1012 0.0977 -0.0567 97 PHE C CE1 2484 C CE2 . PHE B 97 ? 0.5176 0.5142 0.3870 -0.0957 0.0827 -0.0565 97 PHE C CE2 2485 C CZ . PHE B 97 ? 0.5179 0.5215 0.3956 -0.0969 0.0888 -0.0582 97 PHE C CZ 2486 N N . GLY B 98 ? 0.5743 0.5539 0.4465 -0.0973 0.0905 -0.0372 98 GLY C N 2487 C CA . GLY B 98 ? 0.5983 0.5788 0.4708 -0.0982 0.0903 -0.0359 98 GLY C CA 2488 C C . GLY B 98 ? 0.6185 0.5967 0.4966 -0.1039 0.0904 -0.0413 98 GLY C C 2489 O O . GLY B 98 ? 0.6043 0.5824 0.4841 -0.1072 0.0887 -0.0468 98 GLY C O 2490 N N . THR B 99 ? 0.6563 0.6346 0.5368 -0.1042 0.0926 -0.0399 99 THR C N 2491 C CA . THR B 99 ? 0.6823 0.6594 0.5687 -0.1093 0.0936 -0.0450 99 THR C CA 2492 C C . THR B 99 ? 0.6865 0.6666 0.5674 -0.1133 0.0848 -0.0495 99 THR C C 2493 O O . THR B 99 ? 0.7089 0.6901 0.5933 -0.1171 0.0841 -0.0550 99 THR C O 2494 C CB . THR B 99 ? 0.6942 0.6704 0.5838 -0.1075 0.0986 -0.0420 99 THR C CB 2495 O OG1 . THR B 99 ? 0.7077 0.6854 0.5935 -0.0999 0.1018 -0.0340 99 THR C OG1 2496 C CG2 . THR B 99 ? 0.6981 0.6674 0.5972 -0.1103 0.1080 -0.0454 99 THR C CG2 2497 N N . GLY B 100 ? 0.6833 0.6650 0.5550 -0.1126 0.0791 -0.0473 100 GLY C N 2498 C CA . GLY B 100 ? 0.6859 0.6661 0.5496 -0.1159 0.0726 -0.0506 100 GLY C CA 2499 C C . GLY B 100 ? 0.6887 0.6717 0.5492 -0.1193 0.0700 -0.0506 100 GLY C C 2500 O O . GLY B 100 ? 0.6979 0.6844 0.5648 -0.1198 0.0726 -0.0504 100 GLY C O 2501 N N . THR B 101 ? 0.6949 0.6758 0.5450 -0.1219 0.0657 -0.0514 101 THR C N 2502 C CA . THR B 101 ? 0.6999 0.6841 0.5459 -0.1268 0.0635 -0.0523 101 THR C CA 2503 C C . THR B 101 ? 0.7128 0.6893 0.5530 -0.1305 0.0612 -0.0553 101 THR C C 2504 O O . THR B 101 ? 0.7041 0.6714 0.5357 -0.1299 0.0600 -0.0561 101 THR C O 2505 C CB . THR B 101 ? 0.6990 0.6870 0.5370 -0.1289 0.0618 -0.0523 101 THR C CB 2506 O OG1 . THR B 101 ? 0.6923 0.6921 0.5356 -0.1240 0.0641 -0.0488 101 THR C OG1 2507 C CG2 . THR B 101 ? 0.7067 0.6973 0.5386 -0.1365 0.0599 -0.0552 101 THR C CG2 2508 N N . LYS B 102 ? 0.7388 0.7191 0.5830 -0.1331 0.0612 -0.0564 102 LYS C N 2509 C CA . LYS B 102 ? 0.7611 0.7358 0.5990 -0.1359 0.0595 -0.0584 102 LYS C CA 2510 C C . LYS B 102 ? 0.7641 0.7371 0.5931 -0.1424 0.0585 -0.0589 102 LYS C C 2511 O O . LYS B 102 ? 0.7421 0.7252 0.5748 -0.1453 0.0586 -0.0589 102 LYS C O 2512 C CB . LYS B 102 ? 0.7736 0.7548 0.6206 -0.1356 0.0603 -0.0602 102 LYS C CB 2513 C CG . LYS B 102 ? 0.8076 0.7876 0.6551 -0.1320 0.0601 -0.0623 102 LYS C CG 2514 C CD . LYS B 102 ? 0.8289 0.8180 0.6903 -0.1307 0.0629 -0.0655 102 LYS C CD 2515 C CE . LYS B 102 ? 0.8426 0.8337 0.7055 -0.1267 0.0635 -0.0679 102 LYS C CE 2516 N NZ . LYS B 102 ? 0.8453 0.8461 0.7214 -0.1276 0.0673 -0.0732 102 LYS C NZ 2517 N N . LEU B 103 ? 0.7975 0.7576 0.6139 -0.1445 0.0584 -0.0595 103 LEU C N 2518 C CA . LEU B 103 ? 0.8405 0.7953 0.6465 -0.1525 0.0591 -0.0611 103 LEU C CA 2519 C C . LEU B 103 ? 0.8535 0.8034 0.6549 -0.1549 0.0598 -0.0610 103 LEU C C 2520 O O . LEU B 103 ? 0.8665 0.8059 0.6616 -0.1502 0.0605 -0.0596 103 LEU C O 2521 C CB . LEU B 103 ? 0.8665 0.8060 0.6596 -0.1532 0.0606 -0.0618 103 LEU C CB 2522 C CG . LEU B 103 ? 0.8978 0.8297 0.6791 -0.1634 0.0632 -0.0652 103 LEU C CG 2523 C CD1 . LEU B 103 ? 0.9019 0.8532 0.6899 -0.1693 0.0621 -0.0682 103 LEU C CD1 2524 C CD2 . LEU B 103 ? 0.9108 0.8235 0.6787 -0.1626 0.0658 -0.0661 103 LEU C CD2 2525 N N . GLU B 104 ? 0.8742 0.8338 0.6788 -0.1611 0.0597 -0.0622 104 GLU C N 2526 C CA . GLU B 104 ? 0.9058 0.8616 0.7053 -0.1646 0.0607 -0.0621 104 GLU C CA 2527 C C . GLU B 104 ? 0.9146 0.8648 0.7033 -0.1756 0.0635 -0.0645 104 GLU C C 2528 O O . GLU B 104 ? 0.8955 0.8573 0.6873 -0.1815 0.0631 -0.0674 104 GLU C O 2529 C CB . GLU B 104 ? 0.9269 0.8994 0.7393 -0.1632 0.0589 -0.0623 104 GLU C CB 2530 C CG . GLU B 104 ? 0.9598 0.9349 0.7801 -0.1546 0.0579 -0.0617 104 GLU C CG 2531 C CD . GLU B 104 ? 0.9845 0.9739 0.8162 -0.1541 0.0572 -0.0631 104 GLU C CD 2532 O OE1 . GLU B 104 ? 1.0147 1.0145 0.8530 -0.1568 0.0571 -0.0637 104 GLU C OE1 2533 O OE2 . GLU B 104 ? 0.9652 0.9565 0.7989 -0.1504 0.0569 -0.0640 104 GLU C OE2 2534 N N . LEU B 105 ? 0.9206 0.8534 0.6960 -0.1781 0.0671 -0.0635 105 LEU C N 2535 C CA . LEU B 105 ? 0.9400 0.8621 0.7029 -0.1899 0.0720 -0.0664 105 LEU C CA 2536 C C . LEU B 105 ? 0.9187 0.8523 0.6840 -0.1982 0.0727 -0.0680 105 LEU C C 2537 O O . LEU B 105 ? 0.9138 0.8509 0.6823 -0.1937 0.0715 -0.0650 105 LEU C O 2538 C CB . LEU B 105 ? 0.9791 0.8721 0.7237 -0.1881 0.0779 -0.0638 105 LEU C CB 2539 C CG . LEU B 105 ? 0.9996 0.8800 0.7395 -0.1789 0.0778 -0.0620 105 LEU C CG 2540 C CD1 . LEU B 105 ? 1.0366 0.8872 0.7562 -0.1757 0.0848 -0.0586 105 LEU C CD1 2541 C CD2 . LEU B 105 ? 1.0073 0.8922 0.7496 -0.1843 0.0771 -0.0667 105 LEU C CD2 2542 N N . LYS B 106 ? 0.9194 0.8616 0.6836 -0.2103 0.0744 -0.0733 106 LYS C N 2543 C CA . LYS B 106 ? 0.9163 0.8681 0.6798 -0.2208 0.0765 -0.0761 106 LYS C CA 2544 C C . LYS B 106 ? 0.9035 0.8286 0.6497 -0.2269 0.0842 -0.0749 106 LYS C C 2545 O O . LYS B 106 ? 0.9248 0.8253 0.6575 -0.2285 0.0896 -0.0751 106 LYS C O 2546 C CB . LYS B 106 ? 0.9498 0.9210 0.7161 -0.2326 0.0769 -0.0835 106 LYS C CB 2547 C CG . LYS B 106 ? 0.9574 0.9583 0.7395 -0.2260 0.0705 -0.0838 106 LYS C CG 2548 C CD . LYS B 106 ? 0.9691 0.9930 0.7610 -0.2257 0.0678 -0.0833 106 LYS C CD 2549 C CE . LYS B 106 ? 0.9692 1.0216 0.7739 -0.2189 0.0634 -0.0836 106 LYS C CE 2550 N NZ . LYS B 106 ? 0.9797 1.0479 0.7821 -0.2263 0.0642 -0.0897 106 LYS C NZ 2551 N N . ARG B 107 ? 0.8676 0.7974 0.6136 -0.2304 0.0855 -0.0737 107 ARG C N 2552 C CA . ARG B 107 ? 0.8690 0.7738 0.5991 -0.2322 0.0929 -0.0700 107 ARG C CA 2553 C C . ARG B 107 ? 0.8661 0.7833 0.5975 -0.2417 0.0948 -0.0716 107 ARG C C 2554 O O . ARG B 107 ? 0.8494 0.7957 0.5956 -0.2427 0.0888 -0.0742 107 ARG C O 2555 C CB . ARG B 107 ? 0.8597 0.7566 0.5895 -0.2153 0.0903 -0.0622 107 ARG C CB 2556 C CG . ARG B 107 ? 0.8741 0.7384 0.5836 -0.2104 0.0984 -0.0566 107 ARG C CG 2557 C CD . ARG B 107 ? 0.8587 0.7255 0.5672 -0.1991 0.0975 -0.0500 107 ARG C CD 2558 N NE . ARG B 107 ? 0.8591 0.7213 0.5595 -0.2084 0.1036 -0.0492 107 ARG C NE 2559 C CZ . ARG B 107 ? 0.8813 0.7184 0.5625 -0.2062 0.1128 -0.0433 107 ARG C CZ 2560 N NH1 . ARG B 107 ? 0.9070 0.7217 0.5741 -0.1930 0.1169 -0.0368 107 ARG C NH1 2561 N NH2 . ARG B 107 ? 0.8925 0.7278 0.5681 -0.2165 0.1185 -0.0433 107 ARG C NH2 2562 N N . ALA B 108 ? 0.8873 0.7819 0.6025 -0.2480 0.1038 -0.0696 108 ALA C N 2563 C CA . ALA B 108 ? 0.8709 0.7747 0.5857 -0.2560 0.1065 -0.0699 108 ALA C CA 2564 C C . ALA B 108 ? 0.8430 0.7586 0.5658 -0.2420 0.1006 -0.0633 108 ALA C C 2565 O O . ALA B 108 ? 0.8245 0.7377 0.5507 -0.2272 0.0961 -0.0589 108 ALA C O 2566 C CB . ALA B 108 ? 0.9049 0.7771 0.5982 -0.2663 0.1197 -0.0689 108 ALA C CB 2567 N N . ASP B 109 ? 0.8340 0.7637 0.5597 -0.2473 0.1010 -0.0636 109 ASP C N 2568 C CA . ASP B 109 ? 0.8135 0.7559 0.5465 -0.2352 0.0960 -0.0587 109 ASP C CA 2569 C C . ASP B 109 ? 0.8208 0.7383 0.5374 -0.2265 0.1023 -0.0505 109 ASP C C 2570 O O . ASP B 109 ? 0.8546 0.7484 0.5536 -0.2342 0.1125 -0.0484 109 ASP C O 2571 C CB . ASP B 109 ? 0.8101 0.7776 0.5517 -0.2430 0.0942 -0.0618 109 ASP C CB 2572 C CG . ASP B 109 ? 0.7962 0.7924 0.5539 -0.2478 0.0878 -0.0687 109 ASP C CG 2573 O OD1 . ASP B 109 ? 0.7934 0.7946 0.5598 -0.2408 0.0825 -0.0698 109 ASP C OD1 2574 O OD2 . ASP B 109 ? 0.8120 0.8269 0.5732 -0.2578 0.0884 -0.0728 109 ASP C OD2 2575 N N . ALA B 110 ? 0.7966 0.7202 0.5184 -0.2103 0.0969 -0.0463 110 ALA C N 2576 C CA . ALA B 110 ? 0.8000 0.7094 0.5084 -0.1985 0.1012 -0.0383 110 ALA C CA 2577 C C . ALA B 110 ? 0.7673 0.7039 0.4884 -0.1897 0.0945 -0.0377 110 ALA C C 2578 O O . ALA B 110 ? 0.7325 0.6927 0.4723 -0.1866 0.0859 -0.0425 110 ALA C O 2579 C CB . ALA B 110 ? 0.8052 0.6975 0.5059 -0.1858 0.1018 -0.0344 110 ALA C CB 2580 N N . ALA B 111 ? 0.7790 0.7112 0.4890 -0.1858 0.0995 -0.0320 111 ALA C N 2581 C CA . ALA B 111 ? 0.7515 0.7091 0.4711 -0.1771 0.0942 -0.0315 111 ALA C CA 2582 C C . ALA B 111 ? 0.7357 0.6952 0.4527 -0.1588 0.0920 -0.0276 111 ALA C C 2583 O O . ALA B 111 ? 0.7466 0.6822 0.4462 -0.1515 0.0982 -0.0212 111 ALA C O 2584 C CB . ALA B 111 ? 0.7556 0.7106 0.4644 -0.1814 0.1007 -0.0272 111 ALA C CB 2585 N N . PRO B 112 ? 0.7004 0.6887 0.4343 -0.1514 0.0839 -0.0320 112 PRO C N 2586 C CA . PRO B 112 ? 0.7008 0.6971 0.4332 -0.1348 0.0819 -0.0299 112 PRO C CA 2587 C C . PRO B 112 ? 0.7229 0.7172 0.4388 -0.1239 0.0873 -0.0218 112 PRO C C 2588 O O . PRO B 112 ? 0.7280 0.7293 0.4427 -0.1282 0.0891 -0.0206 112 PRO C O 2589 C CB . PRO B 112 ? 0.6668 0.6956 0.4226 -0.1336 0.0732 -0.0389 112 PRO C CB 2590 C CG . PRO B 112 ? 0.6535 0.6919 0.4186 -0.1458 0.0719 -0.0427 112 PRO C CG 2591 C CD . PRO B 112 ? 0.6688 0.6834 0.4238 -0.1579 0.0769 -0.0400 112 PRO C CD 2592 N N . THR B 113 ? 0.7439 0.7291 0.4462 -0.1091 0.0904 -0.0157 113 THR C N 2593 C CA . THR B 113 ? 0.7599 0.7532 0.4492 -0.0932 0.0938 -0.0085 113 THR C CA 2594 C C . THR B 113 ? 0.7409 0.7746 0.4492 -0.0850 0.0846 -0.0165 113 THR C C 2595 O O . THR B 113 ? 0.7300 0.7736 0.4474 -0.0803 0.0799 -0.0216 113 THR C O 2596 C CB . THR B 113 ? 0.7799 0.7485 0.4456 -0.0785 0.1015 0.0014 113 THR C CB 2597 O OG1 . THR B 113 ? 0.8047 0.7334 0.4524 -0.0879 0.1117 0.0076 113 THR C OG1 2598 C CG2 . THR B 113 ? 0.7879 0.7695 0.4400 -0.0589 0.1048 0.0095 113 THR C CG2 2599 N N . VAL B 114 ? 0.7400 0.7969 0.4541 -0.0846 0.0827 -0.0183 114 VAL C N 2600 C CA . VAL B 114 ? 0.7201 0.8168 0.4538 -0.0803 0.0748 -0.0282 114 VAL C CA 2601 C C . VAL B 114 ? 0.7356 0.8531 0.4589 -0.0618 0.0763 -0.0236 114 VAL C C 2602 O O . VAL B 114 ? 0.7692 0.8774 0.4752 -0.0565 0.0825 -0.0139 114 VAL C O 2603 C CB . VAL B 114 ? 0.6963 0.8084 0.4463 -0.0933 0.0711 -0.0355 114 VAL C CB 2604 C CG1 . VAL B 114 ? 0.6708 0.8198 0.4422 -0.0912 0.0639 -0.0478 114 VAL C CG1 2605 C CG2 . VAL B 114 ? 0.6848 0.7767 0.4411 -0.1101 0.0710 -0.0378 114 VAL C CG2 2606 N N . SER B 115 ? 0.7258 0.8728 0.4594 -0.0523 0.0710 -0.0310 115 SER C N 2607 C CA . SER B 115 ? 0.7293 0.9057 0.4557 -0.0339 0.0712 -0.0290 115 SER C CA 2608 C C . SER B 115 ? 0.7071 0.9267 0.4563 -0.0335 0.0635 -0.0444 115 SER C C 2609 O O . SER B 115 ? 0.6963 0.9174 0.4605 -0.0413 0.0598 -0.0536 115 SER C O 2610 C CB . SER B 115 ? 0.7534 0.9151 0.4569 -0.0159 0.0769 -0.0175 115 SER C CB 2611 O OG . SER B 115 ? 0.7350 0.8987 0.4454 -0.0142 0.0735 -0.0230 115 SER C OG 2612 N N . ILE B 116 ? 0.7112 0.9657 0.4623 -0.0249 0.0621 -0.0476 116 ILE C N 2613 C CA . ILE B 116 ? 0.6925 0.9917 0.4651 -0.0256 0.0559 -0.0641 116 ILE C CA 2614 C C . ILE B 116 ? 0.6961 1.0287 0.4595 -0.0048 0.0560 -0.0632 116 ILE C C 2615 O O . ILE B 116 ? 0.7217 1.0481 0.4626 0.0109 0.0608 -0.0492 116 ILE C O 2616 C CB . ILE B 116 ? 0.6877 1.0055 0.4741 -0.0355 0.0535 -0.0723 116 ILE C CB 2617 C CG1 . ILE B 116 ? 0.6696 1.0312 0.4782 -0.0380 0.0486 -0.0912 116 ILE C CG1 2618 C CG2 . ILE B 116 ? 0.7076 1.0299 0.4773 -0.0254 0.0570 -0.0614 116 ILE C CG2 2619 C CD1 . ILE B 116 ? 0.6550 1.0292 0.4800 -0.0506 0.0465 -0.1015 116 ILE C CD1 2620 N N . PHE B 117 ? 0.6805 1.0479 0.4605 -0.0046 0.0515 -0.0780 117 PHE C N 2621 C CA . PHE B 117 ? 0.6788 1.0858 0.4532 0.0143 0.0507 -0.0803 117 PHE C CA 2622 C C . PHE B 117 ? 0.6651 1.1249 0.4611 0.0102 0.0461 -0.1000 117 PHE C C 2623 O O . PHE B 117 ? 0.6337 1.0966 0.4518 -0.0076 0.0436 -0.1151 117 PHE C O 2624 C CB . PHE B 117 ? 0.6672 1.0665 0.4396 0.0185 0.0507 -0.0803 117 PHE C CB 2625 C CG . PHE B 117 ? 0.6765 1.0260 0.4271 0.0236 0.0558 -0.0624 117 PHE C CG 2626 C CD1 . PHE B 117 ? 0.6965 1.0406 0.4207 0.0457 0.0610 -0.0469 117 PHE C CD1 2627 C CD2 . PHE B 117 ? 0.6677 0.9759 0.4234 0.0067 0.0563 -0.0612 117 PHE C CD2 2628 C CE1 . PHE B 117 ? 0.7194 1.0146 0.4224 0.0497 0.0673 -0.0312 117 PHE C CE1 2629 C CE2 . PHE B 117 ? 0.6878 0.9512 0.4235 0.0101 0.0616 -0.0464 117 PHE C CE2 2630 C CZ . PHE B 117 ? 0.7117 0.9671 0.4211 0.0309 0.0674 -0.0317 117 PHE C CZ 2631 N N . PRO B 118 ? 0.6923 1.1941 0.4814 0.0271 0.0458 -0.1005 118 PRO C N 2632 C CA . PRO B 118 ? 0.6837 1.2385 0.4938 0.0221 0.0418 -0.1213 118 PRO C CA 2633 C C . PRO B 118 ? 0.6810 1.2688 0.5017 0.0241 0.0397 -0.1352 118 PRO C C 2634 O O . PRO B 118 ? 0.6911 1.2702 0.4979 0.0371 0.0410 -0.1255 118 PRO C O 2635 C CB . PRO B 118 ? 0.6955 1.2830 0.4921 0.0406 0.0425 -0.1151 118 PRO C CB 2636 C CG . PRO B 118 ? 0.7212 1.2822 0.4881 0.0612 0.0474 -0.0919 118 PRO C CG 2637 C CD . PRO B 118 ? 0.7191 1.2250 0.4813 0.0521 0.0496 -0.0833 118 PRO C CD 2638 N N . PRO B 119 ? 0.6749 1.2998 0.5198 0.0108 0.0373 -0.1582 119 PRO C N 2639 C CA . PRO B 119 ? 0.6787 1.3393 0.5349 0.0108 0.0362 -0.1735 119 PRO C CA 2640 C C . PRO B 119 ? 0.7013 1.4088 0.5431 0.0362 0.0353 -0.1700 119 PRO C C 2641 O O . PRO B 119 ? 0.6920 1.4280 0.5259 0.0489 0.0348 -0.1672 119 PRO C O 2642 C CB . PRO B 119 ? 0.6568 1.3481 0.5399 -0.0087 0.0356 -0.1990 119 PRO C CB 2643 C CG . PRO B 119 ? 0.6542 1.3455 0.5365 -0.0102 0.0352 -0.1967 119 PRO C CG 2644 C CD . PRO B 119 ? 0.6617 1.2996 0.5238 -0.0040 0.0365 -0.1718 119 PRO C CD 2645 N N . SER B 120 ? 0.7243 1.4401 0.5621 0.0444 0.0352 -0.1698 120 SER C N 2646 C CA . SER B 120 ? 0.7606 1.5186 0.5822 0.0713 0.0349 -0.1644 120 SER C CA 2647 C C . SER B 120 ? 0.7761 1.6096 0.6128 0.0728 0.0322 -0.1866 120 SER C C 2648 O O . SER B 120 ? 0.7603 1.6125 0.6224 0.0504 0.0313 -0.2094 120 SER C O 2649 C CB . SER B 120 ? 0.7706 1.5183 0.5852 0.0786 0.0355 -0.1596 120 SER C CB 2650 O OG . SER B 120 ? 0.7526 1.5353 0.5904 0.0643 0.0337 -0.1828 120 SER C OG 2651 N N . THR B 121 ? 0.8159 1.6922 0.6359 0.0997 0.0318 -0.1799 121 THR C N 2652 C CA . THR B 121 ? 0.8168 1.7723 0.6482 0.1051 0.0292 -0.2000 121 THR C CA 2653 C C . THR B 121 ? 0.8053 1.8030 0.6528 0.0988 0.0278 -0.2206 121 THR C C 2654 O O . THR B 121 ? 0.7866 1.8363 0.6564 0.0850 0.0266 -0.2469 121 THR C O 2655 C CB . THR B 121 ? 0.8413 1.8323 0.6478 0.1390 0.0296 -0.1849 121 THR C CB 2656 O OG1 . THR B 121 ? 0.8678 1.8530 0.6523 0.1630 0.0314 -0.1685 121 THR C OG1 2657 C CG2 . THR B 121 ? 0.8516 1.8015 0.6422 0.1441 0.0321 -0.1650 121 THR C CG2 2658 N N . GLU B 122 ? 0.8199 1.7946 0.6560 0.1078 0.0288 -0.2094 122 GLU C N 2659 C CA . GLU B 122 ? 0.8204 1.8265 0.6715 0.0998 0.0280 -0.2273 122 GLU C CA 2660 C C . GLU B 122 ? 0.8001 1.7926 0.6807 0.0641 0.0290 -0.2495 122 GLU C C 2661 O O . GLU B 122 ? 0.8139 1.8570 0.7151 0.0513 0.0291 -0.2753 122 GLU C O 2662 C CB . GLU B 122 ? 0.8381 1.8068 0.6723 0.1120 0.0292 -0.2096 122 GLU C CB 2663 C CG . GLU B 122 ? 0.8711 1.8434 0.6730 0.1486 0.0303 -0.1854 122 GLU C CG 2664 C CD . GLU B 122 ? 0.8867 1.7794 0.6657 0.1549 0.0340 -0.1572 122 GLU C CD 2665 O OE1 . GLU B 122 ? 0.8917 1.7563 0.6519 0.1700 0.0363 -0.1412 122 GLU C OE1 2666 O OE2 . GLU B 122 ? 0.8807 1.7401 0.6607 0.1440 0.0349 -0.1520 122 GLU C OE2 2667 N N . GLN B 123 ? 0.7887 1.7130 0.6704 0.0485 0.0307 -0.2396 123 GLN C N 2668 C CA . GLN B 123 ? 0.7677 1.6696 0.6742 0.0167 0.0329 -0.2569 123 GLN C CA 2669 C C . GLN B 123 ? 0.7807 1.7243 0.7071 0.0021 0.0335 -0.2804 123 GLN C C 2670 O O . GLN B 123 ? 0.7811 1.7483 0.7299 -0.0185 0.0361 -0.3051 123 GLN C O 2671 C CB . GLN B 123 ? 0.7417 1.5662 0.6423 0.0072 0.0344 -0.2392 123 GLN C CB 2672 C CG . GLN B 123 ? 0.7127 1.5085 0.6358 -0.0224 0.0376 -0.2537 123 GLN C CG 2673 C CD . GLN B 123 ? 0.7032 1.4283 0.6201 -0.0301 0.0387 -0.2364 123 GLN C CD 2674 O OE1 . GLN B 123 ? 0.6887 1.3864 0.6211 -0.0514 0.0417 -0.2450 123 GLN C OE1 2675 N NE2 . GLN B 123 ? 0.6936 1.3891 0.5874 -0.0127 0.0371 -0.2122 123 GLN C NE2 2676 N N . LEU B 124 ? 0.8019 1.7529 0.7195 0.0122 0.0318 -0.2729 124 LEU C N 2677 C CA . LEU B 124 ? 0.7997 1.7871 0.7342 -0.0003 0.0322 -0.2936 124 LEU C CA 2678 C C . LEU B 124 ? 0.8002 1.8649 0.7515 -0.0046 0.0325 -0.3223 124 LEU C C 2679 O O . LEU B 124 ? 0.8047 1.8894 0.7775 -0.0263 0.0353 -0.3468 124 LEU C O 2680 C CB . LEU B 124 ? 0.8177 1.8096 0.7364 0.0170 0.0299 -0.2787 124 LEU C CB 2681 C CG . LEU B 124 ? 0.8221 1.7441 0.7320 0.0119 0.0308 -0.2588 124 LEU C CG 2682 C CD1 . LEU B 124 ? 0.8307 1.7543 0.7179 0.0351 0.0293 -0.2382 124 LEU C CD1 2683 C CD2 . LEU B 124 ? 0.8090 1.7159 0.7407 -0.0149 0.0330 -0.2757 124 LEU C CD2 2684 N N . ALA B 125 ? 0.7984 1.9057 0.7394 0.0156 0.0302 -0.3199 125 ALA C N 2685 C CA . ALA B 125 ? 0.7829 1.9672 0.7390 0.0122 0.0305 -0.3472 125 ALA C CA 2686 C C . ALA B 125 ? 0.7642 1.9436 0.7459 -0.0194 0.0356 -0.3723 125 ALA C C 2687 O O . ALA B 125 ? 0.7584 1.9929 0.7597 -0.0341 0.0381 -0.4015 125 ALA C O 2688 C CB . ALA B 125 ? 0.7950 2.0161 0.7332 0.0409 0.0274 -0.3365 125 ALA C CB 2689 N N . THR B 126 ? 0.7634 1.8771 0.7448 -0.0304 0.0381 -0.3613 126 THR C N 2690 C CA . THR B 126 ? 0.7555 1.8557 0.7591 -0.0599 0.0445 -0.3820 126 THR C CA 2691 C C . THR B 126 ? 0.7556 1.8346 0.7780 -0.0870 0.0501 -0.3986 126 THR C C 2692 O O . THR B 126 ? 0.7484 1.8233 0.7900 -0.1121 0.0574 -0.4193 126 THR C O 2693 C CB . THR B 126 ? 0.7546 1.7892 0.7512 -0.0624 0.0457 -0.3638 126 THR C CB 2694 O OG1 . THR B 126 ? 0.7441 1.7085 0.7333 -0.0655 0.0458 -0.3444 126 THR C OG1 2695 C CG2 . THR B 126 ? 0.7628 1.8084 0.7387 -0.0350 0.0408 -0.3452 126 THR C CG2 2696 N N . GLY B 127 ? 0.7569 1.8202 0.7728 -0.0815 0.0478 -0.3889 127 GLY C N 2697 C CA . GLY B 127 ? 0.7546 1.7944 0.7855 -0.1038 0.0529 -0.4015 127 GLY C CA 2698 C C . GLY B 127 ? 0.7569 1.7142 0.7851 -0.1139 0.0557 -0.3847 127 GLY C C 2699 O O . GLY B 127 ? 0.7591 1.6903 0.8025 -0.1366 0.0627 -0.3979 127 GLY C O 2700 N N . GLY B 128 ? 0.7492 1.6665 0.7575 -0.0966 0.0509 -0.3558 128 GLY C N 2701 C CA . GLY B 128 ? 0.7420 1.5849 0.7448 -0.1027 0.0522 -0.3372 128 GLY C CA 2702 C C . GLY B 128 ? 0.7411 1.5585 0.7208 -0.0813 0.0462 -0.3087 128 GLY C C 2703 O O . GLY B 128 ? 0.7479 1.5964 0.7128 -0.0595 0.0417 -0.2995 128 GLY C O 2704 N N . ALA B 129 ? 0.7270 1.4880 0.7028 -0.0871 0.0470 -0.2949 129 ALA C N 2705 C CA . ALA B 129 ? 0.7217 1.4525 0.6762 -0.0705 0.0428 -0.2685 129 ALA C CA 2706 C C . ALA B 129 ? 0.7117 1.3752 0.6610 -0.0775 0.0443 -0.2522 129 ALA C C 2707 O O . ALA B 129 ? 0.7082 1.3438 0.6695 -0.0947 0.0478 -0.2583 129 ALA C O 2708 C CB . ALA B 129 ? 0.7215 1.4667 0.6755 -0.0683 0.0415 -0.2696 129 ALA C CB 2709 N N . SER B 130 ? 0.7038 1.3429 0.6347 -0.0635 0.0421 -0.2319 130 SER C N 2710 C CA . SER B 130 ? 0.7016 1.2807 0.6255 -0.0682 0.0430 -0.2156 130 SER C CA 2711 C C . SER B 130 ? 0.7062 1.2598 0.6091 -0.0550 0.0410 -0.1933 130 SER C C 2712 O O . SER B 130 ? 0.7144 1.2794 0.5995 -0.0360 0.0394 -0.1815 130 SER C O 2713 C CB . SER B 130 ? 0.6965 1.2629 0.6169 -0.0659 0.0436 -0.2116 130 SER C CB 2714 O OG . SER B 130 ? 0.6844 1.2633 0.6248 -0.0821 0.0470 -0.2312 130 SER C OG 2715 N N . VAL B 131 ? 0.6935 1.2131 0.5982 -0.0651 0.0419 -0.1881 131 VAL C N 2716 C CA . VAL B 131 ? 0.7045 1.1951 0.5909 -0.0571 0.0412 -0.1683 131 VAL C CA 2717 C C . VAL B 131 ? 0.6951 1.1343 0.5749 -0.0623 0.0425 -0.1554 131 VAL C C 2718 O O . VAL B 131 ? 0.6767 1.0966 0.5700 -0.0773 0.0439 -0.1621 131 VAL C O 2719 C CB . VAL B 131 ? 0.7042 1.1950 0.5975 -0.0653 0.0412 -0.1719 131 VAL C CB 2720 C CG1 . VAL B 131 ? 0.7195 1.1901 0.5928 -0.0554 0.0410 -0.1525 131 VAL C CG1 2721 C CG2 . VAL B 131 ? 0.6968 1.2395 0.6030 -0.0656 0.0405 -0.1905 131 VAL C CG2 2722 N N . VAL B 132 ? 0.7095 1.1262 0.5680 -0.0498 0.0428 -0.1372 132 VAL C N 2723 C CA . VAL B 132 ? 0.7401 1.1109 0.5914 -0.0543 0.0442 -0.1260 132 VAL C CA 2724 C C . VAL B 132 ? 0.7578 1.0933 0.5912 -0.0518 0.0460 -0.1085 132 VAL C C 2725 O O . VAL B 132 ? 0.7542 1.0950 0.5708 -0.0384 0.0473 -0.0984 132 VAL C O 2726 C CB . VAL B 132 ? 0.7483 1.1195 0.5924 -0.0449 0.0444 -0.1232 132 VAL C CB 2727 C CG1 . VAL B 132 ? 0.7760 1.1610 0.5989 -0.0231 0.0450 -0.1121 132 VAL C CG1 2728 C CG2 . VAL B 132 ? 0.7446 1.0704 0.5840 -0.0516 0.0459 -0.1143 132 VAL C CG2 2729 N N . CYS B 133 ? 0.7659 1.0662 0.6028 -0.0649 0.0469 -0.1053 133 CYS C N 2730 C CA . CYS B 133 ? 0.7822 1.0477 0.6048 -0.0671 0.0491 -0.0913 133 CYS C CA 2731 C C . CYS B 133 ? 0.7722 1.0024 0.5872 -0.0696 0.0508 -0.0837 133 CYS C C 2732 O O . CYS B 133 ? 0.7445 0.9701 0.5728 -0.0783 0.0496 -0.0910 133 CYS C O 2733 C CB . CYS B 133 ? 0.7874 1.0489 0.6226 -0.0811 0.0484 -0.0964 133 CYS C CB 2734 S SG . CYS B 133 ? 0.8303 1.0607 0.6498 -0.0849 0.0513 -0.0820 133 CYS C SG 2735 N N . LEU B 134 ? 0.7822 0.9874 0.5755 -0.0620 0.0544 -0.0694 134 LEU C N 2736 C CA . LEU B 134 ? 0.7949 0.9665 0.5786 -0.0634 0.0567 -0.0621 134 LEU C CA 2737 C C . LEU B 134 ? 0.8104 0.9468 0.5833 -0.0725 0.0604 -0.0530 134 LEU C C 2738 O O . LEU B 134 ? 0.8342 0.9607 0.5906 -0.0675 0.0647 -0.0436 134 LEU C O 2739 C CB . LEU B 134 ? 0.8143 0.9842 0.5792 -0.0458 0.0595 -0.0539 134 LEU C CB 2740 C CG . LEU B 134 ? 0.8161 1.0240 0.5879 -0.0342 0.0564 -0.0619 134 LEU C CG 2741 C CD1 . LEU B 134 ? 0.8415 1.0401 0.5923 -0.0166 0.0598 -0.0516 134 LEU C CD1 2742 C CD2 . LEU B 134 ? 0.7908 1.0121 0.5854 -0.0452 0.0524 -0.0760 134 LEU C CD2 2743 N N . MET B 135 ? 0.7946 0.9135 0.5767 -0.0858 0.0594 -0.0560 135 MET C N 2744 C CA . MET B 135 ? 0.7967 0.8858 0.5705 -0.0961 0.0627 -0.0495 135 MET C CA 2745 C C . MET B 135 ? 0.7881 0.8492 0.5510 -0.0956 0.0655 -0.0443 135 MET C C 2746 O O . MET B 135 ? 0.7676 0.8270 0.5417 -0.1008 0.0628 -0.0495 135 MET C O 2747 C CB . MET B 135 ? 0.7924 0.8867 0.5845 -0.1104 0.0595 -0.0572 135 MET C CB 2748 C CG . MET B 135 ? 0.7989 0.9206 0.6031 -0.1114 0.0569 -0.0637 135 MET C CG 2749 S SD . MET B 135 ? 0.7901 0.9321 0.6205 -0.1181 0.0527 -0.0779 135 MET C SD 2750 C CE . MET B 135 ? 0.7825 0.9463 0.6167 -0.1071 0.0513 -0.0840 135 MET C CE 2751 N N . ASN B 136 ? 0.7949 0.8334 0.5354 -0.0888 0.0718 -0.0339 136 ASN C N 2752 C CA . ASN B 136 ? 0.7913 0.8025 0.5187 -0.0861 0.0755 -0.0288 136 ASN C CA 2753 C C . ASN B 136 ? 0.7846 0.7635 0.5027 -0.0995 0.0807 -0.0252 136 ASN C C 2754 O O . ASN B 136 ? 0.7890 0.7597 0.4998 -0.1057 0.0849 -0.0218 136 ASN C O 2755 C CB . ASN B 136 ? 0.8170 0.8230 0.5236 -0.0674 0.0805 -0.0199 136 ASN C CB 2756 C CG . ASN B 136 ? 0.8022 0.8436 0.5178 -0.0537 0.0752 -0.0249 136 ASN C CG 2757 O OD1 . ASN B 136 ? 0.7842 0.8519 0.5217 -0.0597 0.0686 -0.0356 136 ASN C OD1 2758 N ND2 . ASN B 136 ? 0.8156 0.8582 0.5136 -0.0351 0.0790 -0.0173 136 ASN C ND2 2759 N N . ASN B 137 ? 0.7651 0.7285 0.4843 -0.1044 0.0805 -0.0270 137 ASN C N 2760 C CA . ASN B 137 ? 0.7737 0.7068 0.4823 -0.1161 0.0861 -0.0246 137 ASN C CA 2761 C C . ASN B 137 ? 0.7598 0.6962 0.4767 -0.1328 0.0857 -0.0285 137 ASN C C 2762 O O . ASN B 137 ? 0.7939 0.7173 0.4985 -0.1381 0.0921 -0.0244 137 ASN C O 2763 C CB . ASN B 137 ? 0.8080 0.7110 0.4894 -0.1086 0.0964 -0.0146 137 ASN C CB 2764 C CG . ASN B 137 ? 0.8233 0.7245 0.4950 -0.0900 0.0971 -0.0102 137 ASN C CG 2765 O OD1 . ASN B 137 ? 0.8287 0.7223 0.5016 -0.0888 0.0957 -0.0121 137 ASN C OD1 2766 N ND2 . ASN B 137 ? 0.8347 0.7452 0.4964 -0.0745 0.0993 -0.0041 137 ASN C ND2 2767 N N . PHE B 138 ? 0.7227 0.6761 0.4595 -0.1407 0.0791 -0.0361 138 PHE C N 2768 C CA . PHE B 138 ? 0.7094 0.6688 0.4543 -0.1552 0.0783 -0.0401 138 PHE C CA 2769 C C . PHE B 138 ? 0.7021 0.6610 0.4567 -0.1640 0.0756 -0.0452 138 PHE C C 2770 O O . PHE B 138 ? 0.6895 0.6472 0.4486 -0.1588 0.0730 -0.0465 138 PHE C O 2771 C CB . PHE B 138 ? 0.6877 0.6751 0.4474 -0.1541 0.0734 -0.0437 138 PHE C CB 2772 C CG . PHE B 138 ? 0.6655 0.6737 0.4426 -0.1473 0.0669 -0.0492 138 PHE C CG 2773 C CD1 . PHE B 138 ? 0.6562 0.6734 0.4326 -0.1346 0.0657 -0.0486 138 PHE C CD1 2774 C CD2 . PHE B 138 ? 0.6435 0.6633 0.4376 -0.1536 0.0629 -0.0554 138 PHE C CD2 2775 C CE1 . PHE B 138 ? 0.6357 0.6724 0.4285 -0.1307 0.0610 -0.0554 138 PHE C CE1 2776 C CE2 . PHE B 138 ? 0.6216 0.6570 0.4308 -0.1486 0.0589 -0.0608 138 PHE C CE2 2777 C CZ . PHE B 138 ? 0.6216 0.6654 0.4307 -0.1383 0.0581 -0.0615 138 PHE C CZ 2778 N N . TYR B 139 ? 0.7063 0.6672 0.4631 -0.1770 0.0767 -0.0480 139 TYR C N 2779 C CA . TYR B 139 ? 0.7001 0.6672 0.4669 -0.1850 0.0739 -0.0531 139 TYR C CA 2780 C C . TYR B 139 ? 0.6853 0.6691 0.4591 -0.1955 0.0732 -0.0566 139 TYR C C 2781 O O . TYR B 139 ? 0.6715 0.6495 0.4353 -0.2025 0.0780 -0.0552 139 TYR C O 2782 C CB . TYR B 139 ? 0.7216 0.6657 0.4758 -0.1905 0.0786 -0.0527 139 TYR C CB 2783 C CG . TYR B 139 ? 0.7091 0.6625 0.4735 -0.1963 0.0754 -0.0579 139 TYR C CG 2784 C CD1 . TYR B 139 ? 0.7084 0.6736 0.4763 -0.2086 0.0759 -0.0624 139 TYR C CD1 2785 C CD2 . TYR B 139 ? 0.7008 0.6540 0.4713 -0.1888 0.0720 -0.0582 139 TYR C CD2 2786 C CE1 . TYR B 139 ? 0.6952 0.6724 0.4716 -0.2120 0.0729 -0.0666 139 TYR C CE1 2787 C CE2 . TYR B 139 ? 0.6863 0.6488 0.4652 -0.1927 0.0694 -0.0619 139 TYR C CE2 2788 C CZ . TYR B 139 ? 0.6852 0.6602 0.4668 -0.2036 0.0699 -0.0659 139 TYR C CZ 2789 O OH . TYR B 139 ? 0.6805 0.6681 0.4696 -0.2058 0.0675 -0.0692 139 TYR C OH 2790 N N . PRO B 140 ? 0.6931 0.6974 0.4828 -0.1963 0.0681 -0.0609 140 PRO C N 2791 C CA . PRO B 140 ? 0.6997 0.7097 0.5009 -0.1892 0.0639 -0.0625 140 PRO C CA 2792 C C . PRO B 140 ? 0.7155 0.7326 0.5255 -0.1780 0.0609 -0.0623 140 PRO C C 2793 O O . PRO B 140 ? 0.7016 0.7178 0.5066 -0.1740 0.0619 -0.0604 140 PRO C O 2794 C CB . PRO B 140 ? 0.6801 0.7097 0.4927 -0.1940 0.0615 -0.0663 140 PRO C CB 2795 C CG . PRO B 140 ? 0.6821 0.7217 0.4924 -0.2016 0.0629 -0.0672 140 PRO C CG 2796 C CD . PRO B 140 ? 0.7006 0.7206 0.4945 -0.2065 0.0681 -0.0643 140 PRO C CD 2797 N N . ARG B 141 ? 0.7575 0.7816 0.5795 -0.1732 0.0582 -0.0647 141 ARG C N 2798 C CA . ARG B 141 ? 0.7926 0.8265 0.6255 -0.1652 0.0563 -0.0670 141 ARG C CA 2799 C C . ARG B 141 ? 0.7908 0.8423 0.6363 -0.1663 0.0552 -0.0705 141 ARG C C 2800 O O . ARG B 141 ? 0.8173 0.8748 0.6739 -0.1640 0.0550 -0.0730 141 ARG C O 2801 C CB . ARG B 141 ? 0.8188 0.8481 0.6569 -0.1603 0.0558 -0.0679 141 ARG C CB 2802 C CG . ARG B 141 ? 0.8430 0.8820 0.6917 -0.1539 0.0551 -0.0718 141 ARG C CG 2803 C CD . ARG B 141 ? 0.8746 0.9061 0.7222 -0.1490 0.0553 -0.0717 141 ARG C CD 2804 N NE . ARG B 141 ? 0.8954 0.9209 0.7467 -0.1506 0.0559 -0.0710 141 ARG C NE 2805 C CZ . ARG B 141 ? 0.9237 0.9529 0.7862 -0.1484 0.0570 -0.0738 141 ARG C CZ 2806 N NH1 . ARG B 141 ? 0.9314 0.9703 0.8039 -0.1460 0.0580 -0.0790 141 ARG C NH1 2807 N NH2 . ARG B 141 ? 0.9272 0.9506 0.7906 -0.1490 0.0578 -0.0717 141 ARG C NH2 2808 N N . ASP B 142 ? 0.8009 0.8595 0.6434 -0.1695 0.0553 -0.0703 142 ASP C N 2809 C CA . ASP B 142 ? 0.7996 0.8747 0.6516 -0.1708 0.0545 -0.0732 142 ASP C CA 2810 C C . ASP B 142 ? 0.7877 0.8703 0.6379 -0.1693 0.0543 -0.0739 142 ASP C C 2811 O O . ASP B 142 ? 0.8103 0.8940 0.6526 -0.1741 0.0552 -0.0716 142 ASP C O 2812 C CB . ASP B 142 ? 0.8244 0.9038 0.6730 -0.1785 0.0550 -0.0722 142 ASP C CB 2813 C CG . ASP B 142 ? 0.8375 0.9230 0.6941 -0.1770 0.0547 -0.0732 142 ASP C CG 2814 O OD1 . ASP B 142 ? 0.8443 0.9204 0.7015 -0.1741 0.0549 -0.0724 142 ASP C OD1 2815 O OD2 . ASP B 142 ? 0.8456 0.9464 0.7073 -0.1777 0.0544 -0.0745 142 ASP C OD2 2816 N N . ILE B 143 ? 0.7551 0.8439 0.6127 -0.1630 0.0536 -0.0775 143 ILE C N 2817 C CA . ILE B 143 ? 0.7460 0.8435 0.6010 -0.1596 0.0533 -0.0782 143 ILE C CA 2818 C C . ILE B 143 ? 0.7376 0.8518 0.6071 -0.1560 0.0527 -0.0860 143 ILE C C 2819 O O . ILE B 143 ? 0.7396 0.8536 0.6171 -0.1534 0.0532 -0.0902 143 ILE C O 2820 C CB . ILE B 143 ? 0.7422 0.8285 0.5847 -0.1547 0.0541 -0.0739 143 ILE C CB 2821 C CG1 . ILE B 143 ? 0.7390 0.8313 0.5723 -0.1513 0.0549 -0.0711 143 ILE C CG1 2822 C CG2 . ILE B 143 ? 0.7395 0.8279 0.5887 -0.1486 0.0533 -0.0778 143 ILE C CG2 2823 C CD1 . ILE B 143 ? 0.7491 0.8277 0.5663 -0.1450 0.0572 -0.0648 143 ILE C CD1 2824 N N . SER B 144 ? 0.7384 0.8667 0.6113 -0.1570 0.0523 -0.0884 144 SER C N 2825 C CA . SER B 144 ? 0.7292 0.8740 0.6145 -0.1544 0.0524 -0.0968 144 SER C CA 2826 C C . SER B 144 ? 0.7230 0.8807 0.6035 -0.1501 0.0513 -0.0978 144 SER C C 2827 O O . SER B 144 ? 0.7096 0.8680 0.5797 -0.1504 0.0509 -0.0921 144 SER C O 2828 C CB . SER B 144 ? 0.7353 0.8886 0.6275 -0.1572 0.0530 -0.0993 144 SER C CB 2829 O OG . SER B 144 ? 0.7354 0.8796 0.6311 -0.1589 0.0544 -0.0978 144 SER C OG 2830 N N . VAL B 145 ? 0.7123 0.8812 0.6001 -0.1461 0.0514 -0.1051 145 VAL C N 2831 C CA . VAL B 145 ? 0.7122 0.9010 0.5983 -0.1406 0.0504 -0.1084 145 VAL C CA 2832 C C . VAL B 145 ? 0.6941 0.9031 0.5942 -0.1425 0.0510 -0.1196 145 VAL C C 2833 O O . VAL B 145 ? 0.6709 0.8772 0.5829 -0.1464 0.0534 -0.1266 145 VAL C O 2834 C CB . VAL B 145 ? 0.7179 0.9119 0.6029 -0.1347 0.0502 -0.1109 145 VAL C CB 2835 C CG1 . VAL B 145 ? 0.7196 0.9334 0.5971 -0.1264 0.0489 -0.1103 145 VAL C CG1 2836 C CG2 . VAL B 145 ? 0.7409 0.9117 0.6159 -0.1337 0.0505 -0.1023 145 VAL C CG2 2837 N N . LYS B 146 ? 0.7011 0.9294 0.5990 -0.1392 0.0497 -0.1211 146 LYS C N 2838 C CA . LYS B 146 ? 0.7098 0.9593 0.6200 -0.1407 0.0504 -0.1326 146 LYS C CA 2839 C C . LYS B 146 ? 0.6964 0.9727 0.6040 -0.1341 0.0487 -0.1363 146 LYS C C 2840 O O . LYS B 146 ? 0.6925 0.9715 0.5873 -0.1291 0.0472 -0.1273 146 LYS C O 2841 C CB . LYS B 146 ? 0.7373 0.9838 0.6478 -0.1445 0.0505 -0.1297 146 LYS C CB 2842 C CG . LYS B 146 ? 0.7563 1.0192 0.6799 -0.1467 0.0522 -0.1415 146 LYS C CG 2843 C CD . LYS B 146 ? 0.7684 1.0337 0.6896 -0.1483 0.0514 -0.1374 146 LYS C CD 2844 C CE . LYS B 146 ? 0.7759 1.0208 0.6960 -0.1519 0.0526 -0.1311 146 LYS C CE 2845 N NZ . LYS B 146 ? 0.7843 1.0366 0.7031 -0.1532 0.0519 -0.1288 146 LYS C NZ 2846 N N . TRP B 147 ? 0.6846 0.9810 0.6038 -0.1341 0.0498 -0.1498 147 TRP C N 2847 C CA . TRP B 147 ? 0.6881 1.0174 0.6075 -0.1279 0.0483 -0.1565 147 TRP C CA 2848 C C . TRP B 147 ? 0.6930 1.0414 0.6209 -0.1308 0.0488 -0.1654 147 TRP C C 2849 O O . TRP B 147 ? 0.6882 1.0312 0.6284 -0.1384 0.0518 -0.1744 147 TRP C O 2850 C CB . TRP B 147 ? 0.6739 1.0199 0.6032 -0.1283 0.0498 -0.1693 147 TRP C CB 2851 C CG . TRP B 147 ? 0.6800 1.0172 0.6000 -0.1225 0.0487 -0.1617 147 TRP C CG 2852 C CD1 . TRP B 147 ? 0.6835 0.9985 0.6057 -0.1265 0.0504 -0.1603 147 TRP C CD1 2853 C CD2 . TRP B 147 ? 0.6849 1.0351 0.5908 -0.1103 0.0463 -0.1539 147 TRP C CD2 2854 N NE1 . TRP B 147 ? 0.6839 0.9978 0.5948 -0.1181 0.0487 -0.1527 147 TRP C NE1 2855 C CE2 . TRP B 147 ? 0.6886 1.0231 0.5888 -0.1076 0.0465 -0.1484 147 TRP C CE2 2856 C CE3 . TRP B 147 ? 0.6884 1.0620 0.5850 -0.1002 0.0445 -0.1504 147 TRP C CE3 2857 C CZ2 . TRP B 147 ? 0.7001 1.0403 0.5851 -0.0946 0.0453 -0.1396 147 TRP C CZ2 2858 C CZ3 . TRP B 147 ? 0.7017 1.0809 0.5827 -0.0868 0.0437 -0.1409 147 TRP C CZ3 2859 C CH2 . TRP B 147 ? 0.7093 1.0713 0.5845 -0.0839 0.0442 -0.1357 147 TRP C CH2 2860 N N . LYS B 148 ? 0.7116 1.0815 0.6323 -0.1240 0.0464 -0.1627 148 LYS C N 2861 C CA . LYS B 148 ? 0.7256 1.1197 0.6548 -0.1257 0.0465 -0.1728 148 LYS C CA 2862 C C . LYS B 148 ? 0.7321 1.1657 0.6613 -0.1179 0.0449 -0.1805 148 LYS C C 2863 O O . LYS B 148 ? 0.7342 1.1746 0.6493 -0.1074 0.0429 -0.1701 148 LYS C O 2864 C CB . LYS B 148 ? 0.7400 1.1247 0.6614 -0.1259 0.0455 -0.1623 148 LYS C CB 2865 C CG . LYS B 148 ? 0.7543 1.1060 0.6746 -0.1327 0.0467 -0.1544 148 LYS C CG 2866 C CD . LYS B 148 ? 0.7730 1.1179 0.6814 -0.1320 0.0455 -0.1417 148 LYS C CD 2867 C CE . LYS B 148 ? 0.7775 1.1054 0.6901 -0.1392 0.0466 -0.1400 148 LYS C CE 2868 N NZ . LYS B 148 ? 0.7706 1.1154 0.6951 -0.1413 0.0475 -0.1511 148 LYS C NZ 2869 N N . ILE B 149 ? 0.7411 1.2003 0.6853 -0.1226 0.0465 -0.1988 149 ILE C N 2870 C CA . ILE B 149 ? 0.7478 1.2516 0.6950 -0.1166 0.0452 -0.2101 149 ILE C CA 2871 C C . ILE B 149 ? 0.7440 1.2670 0.6951 -0.1173 0.0448 -0.2157 149 ILE C C 2872 O O . ILE B 149 ? 0.7332 1.2522 0.6971 -0.1269 0.0479 -0.2275 149 ILE C O 2873 C CB . ILE B 149 ? 0.7545 1.2787 0.7165 -0.1224 0.0480 -0.2299 149 ILE C CB 2874 C CG1 . ILE B 149 ? 0.7583 1.2741 0.7378 -0.1367 0.0538 -0.2468 149 ILE C CG1 2875 C CG2 . ILE B 149 ? 0.7635 1.2696 0.7209 -0.1210 0.0482 -0.2234 149 ILE C CG2 2876 C CD1 . ILE B 149 ? 0.7482 1.3011 0.7396 -0.1404 0.0557 -0.2666 149 ILE C CD1 2877 N N . ASP B 150 ? 0.7592 1.3015 0.6983 -0.1064 0.0416 -0.2066 150 ASP C N 2878 C CA . ASP B 150 ? 0.7587 1.3161 0.6982 -0.1058 0.0408 -0.2078 150 ASP C CA 2879 C C . ASP B 150 ? 0.7652 1.2892 0.7067 -0.1146 0.0423 -0.2024 150 ASP C C 2880 O O . ASP B 150 ? 0.7519 1.2820 0.7053 -0.1214 0.0441 -0.2143 150 ASP C O 2881 C CB . ASP B 150 ? 0.7575 1.3562 0.7121 -0.1086 0.0417 -0.2302 150 ASP C CB 2882 C CG . ASP B 150 ? 0.7652 1.4052 0.7185 -0.0994 0.0400 -0.2373 150 ASP C CG 2883 O OD1 . ASP B 150 ? 0.7828 1.4201 0.7216 -0.0882 0.0381 -0.2230 150 ASP C OD1 2884 O OD2 . ASP B 150 ? 0.7501 1.4268 0.7168 -0.1030 0.0411 -0.2579 150 ASP C OD2 2885 N N . GLY B 151 ? 0.7708 1.2603 0.7009 -0.1145 0.0420 -0.1852 151 GLY C N 2886 C CA . GLY B 151 ? 0.7773 1.2395 0.7073 -0.1214 0.0430 -0.1786 151 GLY C CA 2887 C C . GLY B 151 ? 0.7843 1.2246 0.7268 -0.1310 0.0461 -0.1866 151 GLY C C 2888 O O . GLY B 151 ? 0.7913 1.2066 0.7309 -0.1348 0.0467 -0.1781 151 GLY C O 2889 N N . THR B 152 ? 0.7907 1.2408 0.7465 -0.1349 0.0490 -0.2030 152 THR C N 2890 C CA . THR B 152 ? 0.7878 1.2141 0.7541 -0.1432 0.0539 -0.2101 152 THR C CA 2891 C C . THR B 152 ? 0.7956 1.2045 0.7610 -0.1443 0.0549 -0.2074 152 THR C C 2892 O O . THR B 152 ? 0.7812 1.2075 0.7452 -0.1408 0.0534 -0.2105 152 THR C O 2893 C CB . THR B 152 ? 0.7763 1.2194 0.7582 -0.1489 0.0590 -0.2312 152 THR C CB 2894 O OG1 . THR B 152 ? 0.7674 1.2337 0.7553 -0.1498 0.0599 -0.2440 152 THR C OG1 2895 C CG2 . THR B 152 ? 0.7776 1.2434 0.7606 -0.1469 0.0576 -0.2354 152 THR C CG2 2896 N N . GLU B 153 ? 0.8168 1.1936 0.7826 -0.1484 0.0576 -0.2018 153 GLU C N 2897 C CA . GLU B 153 ? 0.8330 1.1912 0.7963 -0.1491 0.0582 -0.1970 153 GLU C CA 2898 C C . GLU B 153 ? 0.8567 1.2225 0.8325 -0.1543 0.0633 -0.2135 153 GLU C C 2899 O O . GLU B 153 ? 0.8628 1.2319 0.8501 -0.1602 0.0690 -0.2274 153 GLU C O 2900 C CB . GLU B 153 ? 0.8281 1.1522 0.7869 -0.1510 0.0592 -0.1850 153 GLU C CB 2901 C CG . GLU B 153 ? 0.8354 1.1435 0.8037 -0.1558 0.0655 -0.1914 153 GLU C CG 2902 C CD . GLU B 153 ? 0.8433 1.1214 0.8068 -0.1561 0.0666 -0.1798 153 GLU C CD 2903 O OE1 . GLU B 153 ? 0.8486 1.1201 0.8018 -0.1538 0.0622 -0.1666 153 GLU C OE1 2904 O OE2 . GLU B 153 ? 0.8621 1.1239 0.8318 -0.1589 0.0724 -0.1843 153 GLU C OE2 2905 N N . ARG B 154 ? 0.8780 1.2472 0.8510 -0.1522 0.0618 -0.2122 154 ARG C N 2906 C CA . ARG B 154 ? 0.8995 1.2727 0.8832 -0.1581 0.0668 -0.2260 154 ARG C CA 2907 C C . ARG B 154 ? 0.9096 1.2489 0.8905 -0.1600 0.0689 -0.2169 154 ARG C C 2908 O O . ARG B 154 ? 0.9174 1.2409 0.8864 -0.1547 0.0644 -0.2006 154 ARG C O 2909 C CB . ARG B 154 ? 0.9090 1.3157 0.8914 -0.1532 0.0634 -0.2316 154 ARG C CB 2910 C CG . ARG B 154 ? 0.9233 1.3407 0.9169 -0.1600 0.0685 -0.2475 154 ARG C CG 2911 C CD . ARG B 154 ? 0.9350 1.3656 0.9445 -0.1709 0.0761 -0.2692 154 ARG C CD 2912 N NE . ARG B 154 ? 0.9511 1.4208 0.9631 -0.1681 0.0733 -0.2791 154 ARG C NE 2913 C CZ . ARG B 154 ? 0.9495 1.4613 0.9629 -0.1643 0.0704 -0.2885 154 ARG C CZ 2914 N NH1 . ARG B 154 ? 0.9421 1.4637 0.9548 -0.1627 0.0697 -0.2897 154 ARG C NH1 2915 N NH2 . ARG B 154 ? 0.9459 1.4931 0.9613 -0.1612 0.0681 -0.2969 154 ARG C NH2 2916 N N . ARG B 155 ? 0.9264 1.2544 0.9180 -0.1680 0.0766 -0.2277 155 ARG C N 2917 C CA . ARG B 155 ? 0.9494 1.2480 0.9397 -0.1699 0.0796 -0.2209 155 ARG C CA 2918 C C . ARG B 155 ? 0.9256 1.2316 0.9245 -0.1758 0.0847 -0.2334 155 ARG C C 2919 O O . ARG B 155 ? 0.9029 1.1926 0.8982 -0.1750 0.0847 -0.2263 155 ARG C O 2920 C CB . ARG B 155 ? 0.9944 1.2620 0.9860 -0.1723 0.0853 -0.2162 155 ARG C CB 2921 C CG . ARG B 155 ? 1.0402 1.2995 1.0438 -0.1803 0.0967 -0.2313 155 ARG C CG 2922 C CD . ARG B 155 ? 1.0639 1.3492 1.0754 -0.1839 0.0988 -0.2472 155 ARG C CD 2923 N NE . ARG B 155 ? 1.0964 1.3657 1.1156 -0.1895 0.1101 -0.2574 155 ARG C NE 2924 C CZ . ARG B 155 ? 1.1219 1.4084 1.1494 -0.1946 0.1150 -0.2740 155 ARG C CZ 2925 N NH1 . ARG B 155 ? 1.1254 1.4494 1.1555 -0.1947 0.1090 -0.2828 155 ARG C NH1 2926 N NH2 . ARG B 155 ? 1.1464 1.4124 1.1790 -0.1989 0.1268 -0.2819 155 ARG C NH2 2927 N N . ASP B 156 ? 0.9089 1.2406 0.9189 -0.1821 0.0892 -0.2527 156 ASP C N 2928 C CA . ASP B 156 ? 0.9025 1.2484 0.9214 -0.1891 0.0942 -0.2673 156 ASP C CA 2929 C C . ASP B 156 ? 0.8585 1.2345 0.8714 -0.1813 0.0859 -0.2646 156 ASP C C 2930 O O . ASP B 156 ? 0.8235 1.2273 0.8318 -0.1741 0.0794 -0.2639 156 ASP C O 2931 C CB . ASP B 156 ? 0.9348 1.3012 0.9679 -0.1999 0.1026 -0.2908 156 ASP C CB 2932 C CG . ASP B 156 ? 0.9707 1.3048 1.0094 -0.2075 0.1137 -0.2952 156 ASP C CG 2933 O OD1 . ASP B 156 ? 0.9829 1.2829 1.0143 -0.2028 0.1137 -0.2791 156 ASP C OD1 2934 O OD2 . ASP B 156 ? 0.9876 1.3315 1.0375 -0.2180 0.1232 -0.3153 156 ASP C OD2 2935 N N . GLY B 157 ? 0.8203 1.1909 0.8326 -0.1819 0.0866 -0.2629 157 GLY C N 2936 C CA . GLY B 157 ? 0.7966 1.1939 0.8023 -0.1732 0.0799 -0.2601 157 GLY C CA 2937 C C . GLY B 157 ? 0.7676 1.1454 0.7565 -0.1610 0.0723 -0.2374 157 GLY C C 2938 O O . GLY B 157 ? 0.7499 1.1468 0.7306 -0.1513 0.0671 -0.2329 157 GLY C O 2939 N N . VAL B 158 ? 0.7475 1.0882 0.7307 -0.1610 0.0723 -0.2238 158 VAL C N 2940 C CA . VAL B 158 ? 0.7400 1.0589 0.7076 -0.1520 0.0666 -0.2037 158 VAL C CA 2941 C C . VAL B 158 ? 0.7275 1.0224 0.6950 -0.1545 0.0692 -0.1993 158 VAL C C 2942 O O . VAL B 158 ? 0.7181 0.9934 0.6940 -0.1629 0.0756 -0.2035 158 VAL C O 2943 C CB . VAL B 158 ? 0.7391 1.0353 0.7005 -0.1512 0.0650 -0.1922 158 VAL C CB 2944 C CG1 . VAL B 158 ? 0.7391 1.0151 0.6840 -0.1435 0.0599 -0.1733 158 VAL C CG1 2945 C CG2 . VAL B 158 ? 0.7326 1.0525 0.6956 -0.1498 0.0633 -0.1977 158 VAL C CG2 2946 N N . LEU B 159 ? 0.7228 1.0193 0.6799 -0.1463 0.0648 -0.1907 159 LEU C N 2947 C CA . LEU B 159 ? 0.7136 0.9877 0.6678 -0.1466 0.0660 -0.1841 159 LEU C CA 2948 C C . LEU B 159 ? 0.7040 0.9575 0.6407 -0.1375 0.0606 -0.1656 159 LEU C C 2949 O O . LEU B 159 ? 0.6982 0.9650 0.6237 -0.1277 0.0563 -0.1600 159 LEU C O 2950 C CB . LEU B 159 ? 0.7154 1.0134 0.6740 -0.1458 0.0669 -0.1938 159 LEU C CB 2951 C CG . LEU B 159 ? 0.7232 1.0431 0.6994 -0.1570 0.0736 -0.2145 159 LEU C CG 2952 C CD1 . LEU B 159 ? 0.7314 1.0842 0.7096 -0.1538 0.0726 -0.2233 159 LEU C CD1 2953 C CD2 . LEU B 159 ? 0.7223 1.0137 0.7080 -0.1685 0.0820 -0.2180 159 LEU C CD2 2954 N N . ASP B 160 ? 0.6982 0.9200 0.6321 -0.1406 0.0618 -0.1565 160 ASP C N 2955 C CA . ASP B 160 ? 0.7002 0.9000 0.6185 -0.1349 0.0581 -0.1405 160 ASP C CA 2956 C C . ASP B 160 ? 0.6916 0.8770 0.6051 -0.1327 0.0582 -0.1355 160 ASP C C 2957 O O . ASP B 160 ? 0.7062 0.8871 0.6296 -0.1382 0.0620 -0.1413 160 ASP C O 2958 C CB . ASP B 160 ? 0.7117 0.8895 0.6298 -0.1400 0.0590 -0.1344 160 ASP C CB 2959 C CG . ASP B 160 ? 0.7290 0.9164 0.6453 -0.1397 0.0573 -0.1340 160 ASP C CG 2960 O OD1 . ASP B 160 ? 0.7434 0.9550 0.6608 -0.1364 0.0560 -0.1399 160 ASP C OD1 2961 O OD2 . ASP B 160 ? 0.7499 0.9224 0.6637 -0.1425 0.0573 -0.1279 160 ASP C OD2 2962 N N . SER B 161 ? 0.6789 0.8557 0.5766 -0.1246 0.0550 -0.1245 161 SER C N 2963 C CA . SER B 161 ? 0.6726 0.8300 0.5634 -0.1225 0.0550 -0.1175 161 SER C CA 2964 C C . SER B 161 ? 0.6693 0.8044 0.5425 -0.1184 0.0531 -0.1039 161 SER C C 2965 O O . SER B 161 ? 0.6501 0.7890 0.5116 -0.1119 0.0518 -0.0989 161 SER C O 2966 C CB . SER B 161 ? 0.6726 0.8471 0.5636 -0.1164 0.0547 -0.1222 161 SER C CB 2967 O OG . SER B 161 ? 0.6959 0.8885 0.5764 -0.1056 0.0523 -0.1201 161 SER C OG 2968 N N . VAL B 162 ? 0.6728 0.7845 0.5439 -0.1225 0.0539 -0.0986 162 VAL C N 2969 C CA . VAL B 162 ? 0.6822 0.7712 0.5379 -0.1215 0.0534 -0.0878 162 VAL C CA 2970 C C . VAL B 162 ? 0.6879 0.7647 0.5356 -0.1168 0.0536 -0.0838 162 VAL C C 2971 O O . VAL B 162 ? 0.6857 0.7648 0.5428 -0.1185 0.0542 -0.0882 162 VAL C O 2972 C CB . VAL B 162 ? 0.6787 0.7540 0.5385 -0.1303 0.0541 -0.0858 162 VAL C CB 2973 C CG1 . VAL B 162 ? 0.6930 0.7504 0.5373 -0.1315 0.0541 -0.0769 162 VAL C CG1 2974 C CG2 . VAL B 162 ? 0.6644 0.7537 0.5366 -0.1350 0.0545 -0.0921 162 VAL C CG2 2975 N N . THR B 163 ? 0.7035 0.7664 0.5335 -0.1109 0.0539 -0.0755 163 THR C N 2976 C CA . THR B 163 ? 0.7263 0.7746 0.5466 -0.1061 0.0546 -0.0712 163 THR C CA 2977 C C . THR B 163 ? 0.7432 0.7713 0.5643 -0.1144 0.0553 -0.0687 163 THR C C 2978 O O . THR B 163 ? 0.7245 0.7500 0.5514 -0.1228 0.0553 -0.0694 163 THR C O 2979 C CB . THR B 163 ? 0.7400 0.7754 0.5386 -0.0966 0.0566 -0.0626 163 THR C CB 2980 O OG1 . THR B 163 ? 0.7488 0.7665 0.5381 -0.1026 0.0587 -0.0572 163 THR C OG1 2981 C CG2 . THR B 163 ? 0.7400 0.7980 0.5357 -0.0852 0.0561 -0.0638 163 THR C CG2 2982 N N . ASP B 164 ? 0.7735 0.7897 0.5883 -0.1112 0.0558 -0.0662 164 ASP C N 2983 C CA . ASP B 164 ? 0.8034 0.7995 0.6140 -0.1174 0.0567 -0.0629 164 ASP C CA 2984 C C . ASP B 164 ? 0.8057 0.7817 0.5976 -0.1178 0.0593 -0.0565 164 ASP C C 2985 O O . ASP B 164 ? 0.8065 0.7810 0.5870 -0.1107 0.0610 -0.0531 164 ASP C O 2986 C CB . ASP B 164 ? 0.8387 0.8302 0.6492 -0.1136 0.0567 -0.0630 164 ASP C CB 2987 C CG . ASP B 164 ? 0.8641 0.8747 0.6915 -0.1131 0.0558 -0.0696 164 ASP C CG 2988 O OD1 . ASP B 164 ? 0.8948 0.9109 0.7358 -0.1201 0.0562 -0.0732 164 ASP C OD1 2989 O OD2 . ASP B 164 ? 0.8804 0.9005 0.7068 -0.1056 0.0555 -0.0714 164 ASP C OD2 2990 N N . GLN B 165 ? 0.8101 0.7712 0.5984 -0.1261 0.0606 -0.0551 165 GLN C N 2991 C CA . GLN B 165 ? 0.8383 0.7779 0.6086 -0.1293 0.0647 -0.0506 165 GLN C CA 2992 C C . GLN B 165 ? 0.8597 0.7833 0.6126 -0.1190 0.0681 -0.0459 165 GLN C C 2993 O O . GLN B 165 ? 0.8484 0.7742 0.6029 -0.1121 0.0667 -0.0464 165 GLN C O 2994 C CB . GLN B 165 ? 0.8396 0.7691 0.6095 -0.1400 0.0657 -0.0519 165 GLN C CB 2995 C CG . GLN B 165 ? 0.8369 0.7796 0.6181 -0.1496 0.0639 -0.0549 165 GLN C CG 2996 C CD . GLN B 165 ? 0.8501 0.7849 0.6267 -0.1604 0.0659 -0.0562 165 GLN C CD 2997 O OE1 . GLN B 165 ? 0.8640 0.7945 0.6404 -0.1615 0.0658 -0.0574 165 GLN C OE1 2998 N NE2 . GLN B 165 ? 0.8488 0.7842 0.6218 -0.1690 0.0679 -0.0568 165 GLN C NE2 2999 N N . ASP B 166 ? 0.9103 0.8181 0.6461 -0.1171 0.0732 -0.0409 166 ASP C N 3000 C CA . ASP B 166 ? 0.9702 0.8587 0.6860 -0.1057 0.0782 -0.0350 166 ASP C CA 3001 C C . ASP B 166 ? 0.9919 0.8558 0.6980 -0.1110 0.0819 -0.0350 166 ASP C C 3002 O O . ASP B 166 ? 0.9884 0.8462 0.6974 -0.1248 0.0827 -0.0383 166 ASP C O 3003 C CB . ASP B 166 ? 1.0151 0.8903 0.7134 -0.1017 0.0845 -0.0287 166 ASP C CB 3004 C CG . ASP B 166 ? 1.0564 0.9175 0.7344 -0.0845 0.0898 -0.0215 166 ASP C CG 3005 O OD1 . ASP B 166 ? 1.0573 0.9364 0.7406 -0.0722 0.0856 -0.0222 166 ASP C OD1 3006 O OD2 . ASP B 166 ? 1.0799 0.9122 0.7363 -0.0830 0.0988 -0.0151 166 ASP C OD2 3007 N N . SER B 167 ? 1.0206 0.8730 0.7150 -0.0995 0.0842 -0.0318 167 SER C N 3008 C CA . SER B 167 ? 1.0351 0.8629 0.7183 -0.1027 0.0885 -0.0320 167 SER C CA 3009 C C . SER B 167 ? 1.0562 0.8526 0.7199 -0.1107 0.0981 -0.0295 167 SER C C 3010 O O . SER B 167 ? 1.0529 0.8361 0.7146 -0.1233 0.1007 -0.0337 167 SER C O 3011 C CB . SER B 167 ? 1.0518 0.8747 0.7253 -0.0864 0.0894 -0.0285 167 SER C CB 3012 O OG . SER B 167 ? 1.0373 0.8914 0.7276 -0.0786 0.0819 -0.0310 167 SER C OG 3013 N N . LYS B 168 ? 1.0752 0.8607 0.7243 -0.1039 0.1039 -0.0232 168 LYS C N 3014 C CA . LYS B 168 ? 1.1081 0.8594 0.7357 -0.1107 0.1155 -0.0201 168 LYS C CA 3015 C C . LYS B 168 ? 1.0825 0.8390 0.7182 -0.1296 0.1158 -0.0248 168 LYS C C 3016 O O . LYS B 168 ? 1.0937 0.8405 0.7296 -0.1453 0.1185 -0.0308 168 LYS C O 3017 C CB . LYS B 168 ? 1.1453 0.8799 0.7512 -0.0939 0.1235 -0.0100 168 LYS C CB 3018 C CG . LYS B 168 ? 1.2014 0.8916 0.7803 -0.0981 0.1384 -0.0059 168 LYS C CG 3019 C CD . LYS B 168 ? 1.2434 0.9164 0.7992 -0.0794 0.1475 0.0057 168 LYS C CD 3020 C CE . LYS B 168 ? 1.2838 0.9102 0.8127 -0.0860 0.1645 0.0099 168 LYS C CE 3021 N NZ . LYS B 168 ? 1.2762 0.9024 0.8100 -0.1063 0.1673 0.0061 168 LYS C NZ 3022 N N . ASP B 169 ? 1.0525 0.8271 0.6951 -0.1281 0.1130 -0.0227 169 ASP C N 3023 C CA . ASP B 169 ? 1.0163 0.7953 0.6638 -0.1444 0.1144 -0.0260 169 ASP C CA 3024 C C . ASP B 169 ? 0.9583 0.7693 0.6314 -0.1550 0.1042 -0.0340 169 ASP C C 3025 O O . ASP B 169 ? 0.9491 0.7651 0.6265 -0.1692 0.1053 -0.0378 169 ASP C O 3026 C CB . ASP B 169 ? 1.0171 0.7966 0.6565 -0.1379 0.1181 -0.0194 169 ASP C CB 3027 C CG . ASP B 169 ? 0.9904 0.8044 0.6460 -0.1259 0.1083 -0.0187 169 ASP C CG 3028 O OD1 . ASP B 169 ? 0.9608 0.7982 0.6351 -0.1242 0.0991 -0.0238 169 ASP C OD1 3029 O OD2 . ASP B 169 ? 0.9940 0.8116 0.6430 -0.1185 0.1108 -0.0133 169 ASP C OD2 3030 N N . SER B 170 ? 0.9204 0.7526 0.6095 -0.1477 0.0955 -0.0362 170 SER C N 3031 C CA . SER B 170 ? 0.8814 0.7415 0.5934 -0.1549 0.0871 -0.0425 170 SER C CA 3032 C C . SER B 170 ? 0.8448 0.7279 0.5691 -0.1563 0.0831 -0.0432 170 SER C C 3033 O O . SER B 170 ? 0.8248 0.7251 0.5633 -0.1653 0.0792 -0.0479 170 SER C O 3034 C CB . SER B 170 ? 0.8821 0.7380 0.5955 -0.1701 0.0885 -0.0481 170 SER C CB 3035 O OG . SER B 170 ? 0.9003 0.7318 0.5994 -0.1703 0.0939 -0.0481 170 SER C OG 3036 N N . THR B 171 ? 0.8275 0.7123 0.5461 -0.1464 0.0842 -0.0386 171 THR C N 3037 C CA . THR B 171 ? 0.8047 0.7134 0.5356 -0.1459 0.0801 -0.0398 171 THR C CA 3038 C C . THR B 171 ? 0.7622 0.6952 0.5092 -0.1362 0.0732 -0.0426 171 THR C C 3039 O O . THR B 171 ? 0.7555 0.6872 0.5029 -0.1287 0.0718 -0.0427 171 THR C O 3040 C CB . THR B 171 ? 0.8183 0.7188 0.5343 -0.1411 0.0856 -0.0337 171 THR C CB 3041 O OG1 . THR B 171 ? 0.8315 0.7231 0.5346 -0.1253 0.0882 -0.0280 171 THR C OG1 3042 C CG2 . THR B 171 ? 0.8359 0.7124 0.5367 -0.1533 0.0940 -0.0320 171 THR C CG2 3043 N N . TYR B 172 ? 0.7346 0.6898 0.4946 -0.1372 0.0695 -0.0456 172 TYR C N 3044 C CA . TYR B 172 ? 0.7201 0.6990 0.4945 -0.1293 0.0647 -0.0496 172 TYR C CA 3045 C C . TYR B 172 ? 0.7129 0.7030 0.4821 -0.1205 0.0654 -0.0474 172 TYR C C 3046 O O . TYR B 172 ? 0.7299 0.7105 0.4865 -0.1213 0.0693 -0.0424 172 TYR C O 3047 C CB . TYR B 172 ? 0.6995 0.6961 0.4936 -0.1370 0.0608 -0.0560 172 TYR C CB 3048 C CG . TYR B 172 ? 0.6982 0.6879 0.4978 -0.1443 0.0602 -0.0577 172 TYR C CG 3049 C CD1 . TYR B 172 ? 0.6955 0.6879 0.5034 -0.1410 0.0584 -0.0601 172 TYR C CD1 3050 C CD2 . TYR B 172 ? 0.7054 0.6881 0.5015 -0.1545 0.0617 -0.0571 172 TYR C CD2 3051 C CE1 . TYR B 172 ? 0.6910 0.6785 0.5032 -0.1463 0.0581 -0.0610 172 TYR C CE1 3052 C CE2 . TYR B 172 ? 0.7063 0.6870 0.5071 -0.1600 0.0610 -0.0589 172 TYR C CE2 3053 C CZ . TYR B 172 ? 0.6934 0.6761 0.5020 -0.1552 0.0592 -0.0603 172 TYR C CZ 3054 O OH . TYR B 172 ? 0.6828 0.6648 0.4953 -0.1592 0.0588 -0.0614 172 TYR C OH 3055 N N . SER B 173 ? 0.7020 0.7136 0.4808 -0.1122 0.0621 -0.0515 173 SER C N 3056 C CA . SER B 173 ? 0.7070 0.7388 0.4858 -0.1043 0.0614 -0.0520 173 SER C CA 3057 C C . SER B 173 ? 0.6838 0.7436 0.4846 -0.1070 0.0570 -0.0622 173 SER C C 3058 O O . SER B 173 ? 0.6627 0.7243 0.4754 -0.1108 0.0554 -0.0673 173 SER C O 3059 C CB . SER B 173 ? 0.7230 0.7554 0.4878 -0.0888 0.0633 -0.0473 173 SER C CB 3060 O OG . SER B 173 ? 0.7477 0.7495 0.4906 -0.0861 0.0692 -0.0378 173 SER C OG 3061 N N . MET B 174 ? 0.6927 0.7731 0.4984 -0.1052 0.0560 -0.0653 174 MET C N 3062 C CA . MET B 174 ? 0.6959 0.8033 0.5212 -0.1075 0.0531 -0.0763 174 MET C CA 3063 C C . MET B 174 ? 0.6878 0.8227 0.5124 -0.0975 0.0523 -0.0795 174 MET C C 3064 O O . MET B 174 ? 0.7024 0.8359 0.5116 -0.0892 0.0539 -0.0720 174 MET C O 3065 C CB . MET B 174 ? 0.7014 0.8101 0.5377 -0.1184 0.0526 -0.0798 174 MET C CB 3066 C CG . MET B 174 ? 0.6931 0.8201 0.5498 -0.1231 0.0517 -0.0912 174 MET C CG 3067 S SD . MET B 174 ? 0.7320 0.8584 0.5980 -0.1329 0.0519 -0.0934 174 MET C SD 3068 C CE . MET B 174 ? 0.7182 0.8468 0.6030 -0.1385 0.0537 -0.1028 174 MET C CE 3069 N N . SER B 175 ? 0.6737 0.8340 0.5142 -0.0980 0.0507 -0.0908 175 SER C N 3070 C CA . SER B 175 ? 0.6782 0.8718 0.5221 -0.0910 0.0496 -0.0973 175 SER C CA 3071 C C . SER B 175 ? 0.6659 0.8798 0.5313 -0.1006 0.0492 -0.1116 175 SER C C 3072 O O . SER B 175 ? 0.6501 0.8624 0.5276 -0.1071 0.0501 -0.1188 175 SER C O 3073 C CB . SER B 175 ? 0.6840 0.8939 0.5217 -0.0784 0.0492 -0.0978 175 SER C CB 3074 O OG . SER B 175 ? 0.6770 0.8948 0.5283 -0.0831 0.0490 -0.1072 175 SER C OG 3075 N N . SER B 176 ? 0.6760 0.9069 0.5454 -0.1016 0.0486 -0.1156 176 SER C N 3076 C CA . SER B 176 ? 0.6753 0.9291 0.5639 -0.1092 0.0492 -0.1308 176 SER C CA 3077 C C . SER B 176 ? 0.6745 0.9675 0.5650 -0.1014 0.0481 -0.1392 176 SER C C 3078 O O . SER B 176 ? 0.6678 0.9712 0.5471 -0.0924 0.0467 -0.1331 176 SER C O 3079 C CB . SER B 176 ? 0.6694 0.9154 0.5635 -0.1174 0.0498 -0.1313 176 SER C CB 3080 O OG . SER B 176 ? 0.6948 0.9525 0.5805 -0.1118 0.0483 -0.1270 176 SER C OG 3081 N N . THR B 177 ? 0.6837 0.9989 0.5875 -0.1046 0.0492 -0.1531 177 THR C N 3082 C CA . THR B 177 ? 0.6931 1.0521 0.6025 -0.0997 0.0485 -0.1652 177 THR C CA 3083 C C . THR B 177 ? 0.6820 1.0568 0.6098 -0.1119 0.0510 -0.1815 177 THR C C 3084 O O . THR B 177 ? 0.6651 1.0324 0.6068 -0.1237 0.0550 -0.1917 177 THR C O 3085 C CB . THR B 177 ? 0.7049 1.0845 0.6172 -0.0957 0.0488 -0.1724 177 THR C CB 3086 O OG1 . THR B 177 ? 0.7273 1.0883 0.6512 -0.1078 0.0521 -0.1781 177 THR C OG1 3087 C CG2 . THR B 177 ? 0.7156 1.0874 0.6078 -0.0798 0.0465 -0.1571 177 THR C CG2 3088 N N . LEU B 178 ? 0.6871 1.0817 0.6138 -0.1086 0.0494 -0.1834 178 LEU C N 3089 C CA . LEU B 178 ? 0.6931 1.1097 0.6362 -0.1183 0.0519 -0.2006 178 LEU C CA 3090 C C . LEU B 178 ? 0.6938 1.1583 0.6445 -0.1156 0.0519 -0.2168 178 LEU C C 3091 O O . LEU B 178 ? 0.6903 1.1836 0.6316 -0.1026 0.0483 -0.2136 178 LEU C O 3092 C CB . LEU B 178 ? 0.6991 1.1160 0.6372 -0.1159 0.0500 -0.1950 178 LEU C CB 3093 C CG . LEU B 178 ? 0.6928 1.1392 0.6439 -0.1217 0.0515 -0.2113 178 LEU C CG 3094 C CD1 . LEU B 178 ? 0.6925 1.1268 0.6610 -0.1373 0.0575 -0.2255 178 LEU C CD1 3095 C CD2 . LEU B 178 ? 0.6952 1.1384 0.6378 -0.1171 0.0489 -0.2017 178 LEU C CD2 3096 N N . SER B 179 ? 0.7105 1.1845 0.6776 -0.1278 0.0567 -0.2341 179 SER C N 3097 C CA . SER B 179 ? 0.7422 1.2648 0.7183 -0.1279 0.0576 -0.2523 179 SER C CA 3098 C C . SER B 179 ? 0.7485 1.2964 0.7412 -0.1400 0.0619 -0.2737 179 SER C C 3099 O O . SER B 179 ? 0.7575 1.2800 0.7604 -0.1537 0.0678 -0.2799 179 SER C O 3100 C CB . SER B 179 ? 0.7461 1.2668 0.7276 -0.1328 0.0606 -0.2580 179 SER C CB 3101 O OG . SER B 179 ? 0.7513 1.2564 0.7490 -0.1510 0.0685 -0.2718 179 SER C OG 3102 N N . LEU B 180 ? 0.7567 1.3549 0.7511 -0.1339 0.0595 -0.2846 180 LEU C N 3103 C CA . LEU B 180 ? 0.7584 1.3872 0.7674 -0.1441 0.0631 -0.3058 180 LEU C CA 3104 C C . LEU B 180 ? 0.7464 1.4348 0.7636 -0.1436 0.0634 -0.3258 180 LEU C C 3105 O O . LEU B 180 ? 0.7391 1.4460 0.7493 -0.1332 0.0601 -0.3212 180 LEU C O 3106 C CB . LEU B 180 ? 0.7671 1.4025 0.7679 -0.1349 0.0585 -0.2974 180 LEU C CB 3107 C CG . LEU B 180 ? 0.7837 1.3728 0.7702 -0.1285 0.0554 -0.2732 180 LEU C CG 3108 C CD1 . LEU B 180 ? 0.7859 1.3948 0.7634 -0.1173 0.0508 -0.2665 180 LEU C CD1 3109 C CD2 . LEU B 180 ? 0.7913 1.3364 0.7860 -0.1430 0.0608 -0.2739 180 LEU C CD2 3110 N N . THR B 181 ? 0.7447 1.4649 0.7764 -0.1547 0.0676 -0.3484 181 THR C N 3111 C CA . THR B 181 ? 0.7434 1.5305 0.7823 -0.1528 0.0668 -0.3686 181 THR C CA 3112 C C . THR B 181 ? 0.7448 1.5644 0.7695 -0.1315 0.0583 -0.3571 181 THR C C 3113 O O . THR B 181 ? 0.7397 1.5300 0.7530 -0.1235 0.0549 -0.3386 181 THR C O 3114 C CB . THR B 181 ? 0.7401 1.5501 0.7993 -0.1732 0.0751 -0.3983 181 THR C CB 3115 O OG1 . THR B 181 ? 0.7404 1.5325 0.7993 -0.1747 0.0753 -0.3953 181 THR C OG1 3116 C CG2 . THR B 181 ? 0.7440 1.5235 0.8166 -0.1944 0.0858 -0.4110 181 THR C CG2 3117 N N . LYS B 182 ? 0.7521 1.6332 0.7769 -0.1219 0.0555 -0.3677 182 LYS C N 3118 C CA . LYS B 182 ? 0.7624 1.6825 0.7752 -0.1018 0.0490 -0.3603 182 LYS C CA 3119 C C . LYS B 182 ? 0.7646 1.6953 0.7865 -0.1104 0.0506 -0.3723 182 LYS C C 3120 O O . LYS B 182 ? 0.7618 1.6904 0.7715 -0.0971 0.0462 -0.3576 182 LYS C O 3121 C CB . LYS B 182 ? 0.7664 1.7569 0.7793 -0.0902 0.0464 -0.3726 182 LYS C CB 3122 C CG . LYS B 182 ? 0.7670 1.7988 0.7642 -0.0652 0.0401 -0.3620 182 LYS C CG 3123 C CD . LYS B 182 ? 0.7703 1.8729 0.7661 -0.0511 0.0377 -0.3724 182 LYS C CD 3124 C CE . LYS B 182 ? 0.7659 1.9339 0.7835 -0.0661 0.0407 -0.4075 182 LYS C CE 3125 N NZ . LYS B 182 ? 0.7608 1.9631 0.7789 -0.0609 0.0387 -0.4134 182 LYS C NZ 3126 N N . ALA B 183 ? 0.7709 1.7119 0.8136 -0.1329 0.0578 -0.3991 183 ALA C N 3127 C CA . ALA B 183 ? 0.7671 1.7116 0.8203 -0.1443 0.0612 -0.4130 183 ALA C CA 3128 C C . ALA B 183 ? 0.7712 1.6547 0.8156 -0.1432 0.0604 -0.3918 183 ALA C C 3129 O O . ALA B 183 ? 0.7747 1.6660 0.8124 -0.1342 0.0565 -0.3844 183 ALA C O 3130 C CB . ALA B 183 ? 0.7639 1.7137 0.8391 -0.1705 0.0718 -0.4433 183 ALA C CB 3131 N N . ASP B 184 ? 0.7659 1.5916 0.8102 -0.1520 0.0641 -0.3820 184 ASP C N 3132 C CA . ASP B 184 ? 0.7673 1.5361 0.8034 -0.1512 0.0635 -0.3620 184 ASP C CA 3133 C C . ASP B 184 ? 0.7532 1.5128 0.7680 -0.1300 0.0549 -0.3340 184 ASP C C 3134 O O . ASP B 184 ? 0.7580 1.4973 0.7659 -0.1263 0.0529 -0.3219 184 ASP C O 3135 C CB . ASP B 184 ? 0.7736 1.4874 0.8135 -0.1635 0.0695 -0.3576 184 ASP C CB 3136 C CG . ASP B 184 ? 0.7773 1.4383 0.8119 -0.1651 0.0702 -0.3418 184 ASP C CG 3137 O OD1 . ASP B 184 ? 0.7755 1.4331 0.8181 -0.1735 0.0744 -0.3520 184 ASP C OD1 3138 O OD2 . ASP B 184 ? 0.7990 1.4228 0.8213 -0.1579 0.0669 -0.3198 184 ASP C OD2 3139 N N . TYR B 185 ? 0.7352 1.5097 0.7391 -0.1163 0.0509 -0.3242 185 TYR C N 3140 C CA . TYR B 185 ? 0.7221 1.4865 0.7038 -0.0956 0.0447 -0.2979 185 TYR C CA 3141 C C . TYR B 185 ? 0.7176 1.5143 0.6923 -0.0836 0.0412 -0.2952 185 TYR C C 3142 O O . TYR B 185 ? 0.7049 1.4727 0.6704 -0.0804 0.0399 -0.2798 185 TYR C O 3143 C CB . TYR B 185 ? 0.7183 1.5001 0.6897 -0.0816 0.0421 -0.2909 185 TYR C CB 3144 C CG . TYR B 185 ? 0.7227 1.4917 0.6695 -0.0595 0.0378 -0.2640 185 TYR C CG 3145 C CD1 . TYR B 185 ? 0.7241 1.4344 0.6586 -0.0592 0.0379 -0.2422 185 TYR C CD1 3146 C CD2 . TYR B 185 ? 0.7190 1.5344 0.6537 -0.0388 0.0347 -0.2604 185 TYR C CD2 3147 C CE1 . TYR B 185 ? 0.7267 1.4217 0.6380 -0.0408 0.0359 -0.2184 185 TYR C CE1 3148 C CE2 . TYR B 185 ? 0.7291 1.5280 0.6393 -0.0181 0.0329 -0.2348 185 TYR C CE2 3149 C CZ . TYR B 185 ? 0.7307 1.4676 0.6293 -0.0202 0.0340 -0.2143 185 TYR C CZ 3150 O OH . TYR B 185 ? 0.7313 1.4479 0.6051 -0.0018 0.0340 -0.1900 185 TYR C OH 3151 N N . GLU B 186 ? 0.7261 1.5843 0.7052 -0.0772 0.0399 -0.3106 186 GLU C N 3152 C CA . GLU B 186 ? 0.7425 1.6352 0.7134 -0.0633 0.0364 -0.3068 186 GLU C CA 3153 C C . GLU B 186 ? 0.7363 1.6360 0.7206 -0.0763 0.0384 -0.3216 186 GLU C C 3154 O O . GLU B 186 ? 0.7141 1.6379 0.6918 -0.0659 0.0357 -0.3176 186 GLU C O 3155 C CB . GLU B 186 ? 0.7428 1.7014 0.7087 -0.0460 0.0335 -0.3131 186 GLU C CB 3156 C CG . GLU B 186 ? 0.7542 1.7316 0.6988 -0.0210 0.0297 -0.2936 186 GLU C CG 3157 C CD . GLU B 186 ? 0.7671 1.6845 0.6941 -0.0156 0.0296 -0.2656 186 GLU C CD 3158 O OE1 . GLU B 186 ? 0.7787 1.6542 0.6923 -0.0101 0.0301 -0.2467 186 GLU C OE1 3159 O OE2 . GLU B 186 ? 0.7507 1.6639 0.6778 -0.0179 0.0294 -0.2636 186 GLU C OE2 3160 N N . SER B 187 ? 0.7413 1.6164 0.7429 -0.0981 0.0437 -0.3370 187 SER C N 3161 C CA . SER B 187 ? 0.7403 1.6017 0.7515 -0.1105 0.0466 -0.3455 187 SER C CA 3162 C C . SER B 187 ? 0.7368 1.5501 0.7348 -0.1054 0.0444 -0.3210 187 SER C C 3163 O O . SER B 187 ? 0.7502 1.5538 0.7540 -0.1128 0.0462 -0.3255 187 SER C O 3164 C CB . SER B 187 ? 0.7424 1.5828 0.7728 -0.1336 0.0548 -0.3660 187 SER C CB 3165 O OG . SER B 187 ? 0.7576 1.6474 0.8029 -0.1423 0.0584 -0.3939 187 SER C OG 3166 N N . HIS B 188 ? 0.7245 1.5078 0.7051 -0.0937 0.0413 -0.2962 188 HIS C N 3167 C CA . HIS B 188 ? 0.7232 1.4662 0.6898 -0.0887 0.0395 -0.2732 188 HIS C CA 3168 C C . HIS B 188 ? 0.7106 1.4575 0.6549 -0.0681 0.0358 -0.2509 188 HIS C C 3169 O O . HIS B 188 ? 0.7030 1.4792 0.6421 -0.0569 0.0344 -0.2517 188 HIS C O 3170 C CB . HIS B 188 ? 0.7373 1.4227 0.7063 -0.1006 0.0424 -0.2659 188 HIS C CB 3171 C CG . HIS B 188 ? 0.7467 1.4258 0.7358 -0.1190 0.0481 -0.2871 188 HIS C CG 3172 N ND1 . HIS B 188 ? 0.7475 1.4312 0.7473 -0.1276 0.0518 -0.3012 188 HIS C ND1 3173 C CD2 . HIS B 188 ? 0.7475 1.4167 0.7471 -0.1300 0.0517 -0.2971 188 HIS C CD2 3174 C CE1 . HIS B 188 ? 0.7478 1.4215 0.7633 -0.1436 0.0584 -0.3185 188 HIS C CE1 3175 N NE2 . HIS B 188 ? 0.7511 1.4154 0.7665 -0.1447 0.0585 -0.3161 188 HIS C NE2 3176 N N . ASN B 189 ? 0.7050 1.4229 0.6356 -0.0632 0.0349 -0.2313 189 ASN C N 3177 C CA . ASN B 189 ? 0.7261 1.4471 0.6340 -0.0438 0.0334 -0.2103 189 ASN C CA 3178 C C . ASN B 189 ? 0.7347 1.3997 0.6264 -0.0426 0.0348 -0.1869 189 ASN C C 3179 O O . ASN B 189 ? 0.7326 1.3886 0.6085 -0.0302 0.0353 -0.1732 189 ASN C O 3180 C CB . ASN B 189 ? 0.7466 1.4944 0.6511 -0.0375 0.0323 -0.2097 189 ASN C CB 3181 C CG . ASN B 189 ? 0.7754 1.5485 0.6592 -0.0146 0.0317 -0.1950 189 ASN C CG 3182 O OD1 . ASN B 189 ? 0.7953 1.5358 0.6588 -0.0051 0.0336 -0.1722 189 ASN C OD1 3183 N ND2 . ASN B 189 ? 0.7733 1.6051 0.6615 -0.0054 0.0300 -0.2081 189 ASN C ND2 3184 N N . LEU B 190 ? 0.7410 1.3705 0.6362 -0.0550 0.0357 -0.1830 190 LEU C N 3185 C CA . LEU B 190 ? 0.7432 1.3211 0.6255 -0.0573 0.0374 -0.1637 190 LEU C CA 3186 C C . LEU B 190 ? 0.7219 1.2719 0.6122 -0.0672 0.0381 -0.1674 190 LEU C C 3187 O O . LEU B 190 ? 0.7043 1.2552 0.6129 -0.0801 0.0386 -0.1832 190 LEU C O 3188 C CB . LEU B 190 ? 0.7552 1.3128 0.6389 -0.0665 0.0379 -0.1595 190 LEU C CB 3189 C CG . LEU B 190 ? 0.7747 1.2845 0.6450 -0.0701 0.0400 -0.1408 190 LEU C CG 3190 C CD1 . LEU B 190 ? 0.7907 1.2933 0.6368 -0.0557 0.0423 -0.1214 190 LEU C CD1 3191 C CD2 . LEU B 190 ? 0.7687 1.2671 0.6450 -0.0808 0.0401 -0.1414 190 LEU C CD2 3192 N N . TYR B 191 ? 0.7203 1.2449 0.5958 -0.0605 0.0391 -0.1527 191 TYR C N 3193 C CA . TYR B 191 ? 0.7041 1.2004 0.5842 -0.0681 0.0398 -0.1535 191 TYR C CA 3194 C C . TYR B 191 ? 0.7104 1.1608 0.5746 -0.0684 0.0417 -0.1341 191 TYR C C 3195 O O . TYR B 191 ? 0.7117 1.1542 0.5562 -0.0560 0.0432 -0.1191 191 TYR C O 3196 C CB . TYR B 191 ? 0.6993 1.2182 0.5785 -0.0589 0.0392 -0.1583 191 TYR C CB 3197 C CG . TYR B 191 ? 0.6837 1.2419 0.5835 -0.0653 0.0385 -0.1817 191 TYR C CG 3198 C CD1 . TYR B 191 ? 0.6693 1.2140 0.5868 -0.0815 0.0403 -0.1949 191 TYR C CD1 3199 C CD2 . TYR B 191 ? 0.6742 1.2835 0.5755 -0.0558 0.0370 -0.1913 191 TYR C CD2 3200 C CE1 . TYR B 191 ? 0.6635 1.2409 0.5995 -0.0895 0.0416 -0.2176 191 TYR C CE1 3201 C CE2 . TYR B 191 ? 0.6588 1.3053 0.5797 -0.0640 0.0373 -0.2150 191 TYR C CE2 3202 C CZ . TYR B 191 ? 0.6569 1.2856 0.5951 -0.0817 0.0400 -0.2284 191 TYR C CZ 3203 O OH . TYR B 191 ? 0.6477 1.3090 0.6050 -0.0920 0.0422 -0.2528 191 TYR C OH 3204 N N . THR B 192 ? 0.7095 1.1300 0.5816 -0.0822 0.0423 -0.1348 192 THR C N 3205 C CA . THR B 192 ? 0.7313 1.1122 0.5902 -0.0853 0.0441 -0.1188 192 THR C CA 3206 C C . THR B 192 ? 0.7164 1.0666 0.5813 -0.0952 0.0447 -0.1193 192 THR C C 3207 O O . THR B 192 ? 0.6903 1.0430 0.5723 -0.1044 0.0442 -0.1315 192 THR C O 3208 C CB . THR B 192 ? 0.7406 1.1197 0.5985 -0.0904 0.0445 -0.1156 192 THR C CB 3209 O OG1 . THR B 192 ? 0.7638 1.1065 0.6109 -0.0960 0.0467 -0.1026 192 THR C OG1 3210 C CG2 . THR B 192 ? 0.7326 1.1249 0.6108 -0.1006 0.0431 -0.1308 192 THR C CG2 3211 N N . CYS B 193 ? 0.7307 1.0519 0.5806 -0.0925 0.0464 -0.1059 193 CYS C N 3212 C CA . CYS B 193 ? 0.7407 1.0324 0.5931 -0.1003 0.0470 -0.1042 193 CYS C CA 3213 C C . CYS B 193 ? 0.7312 0.9946 0.5765 -0.1085 0.0487 -0.0946 193 CYS C C 3214 O O . CYS B 193 ? 0.7361 0.9868 0.5642 -0.1049 0.0513 -0.0826 193 CYS C O 3215 C CB . CYS B 193 ? 0.7691 1.0507 0.6096 -0.0914 0.0480 -0.0975 193 CYS C CB 3216 S SG . CYS B 193 ? 0.8312 1.0738 0.6704 -0.0997 0.0492 -0.0924 193 CYS C SG 3217 N N . GLU B 194 ? 0.7152 0.9695 0.5731 -0.1194 0.0481 -0.1001 194 GLU C N 3218 C CA . GLU B 194 ? 0.7178 0.9532 0.5718 -0.1278 0.0492 -0.0936 194 GLU C CA 3219 C C . GLU B 194 ? 0.6970 0.9060 0.5511 -0.1343 0.0500 -0.0906 194 GLU C C 3220 O O . GLU B 194 ? 0.6748 0.8834 0.5421 -0.1379 0.0492 -0.0980 194 GLU C O 3221 C CB . GLU B 194 ? 0.7208 0.9724 0.5879 -0.1332 0.0480 -0.1018 194 GLU C CB 3222 C CG . GLU B 194 ? 0.7392 0.9821 0.6003 -0.1395 0.0490 -0.0950 194 GLU C CG 3223 C CD . GLU B 194 ? 0.7453 1.0074 0.6180 -0.1425 0.0478 -0.1027 194 GLU C CD 3224 O OE1 . GLU B 194 ? 0.7342 1.0195 0.6099 -0.1375 0.0469 -0.1078 194 GLU C OE1 3225 O OE2 . GLU B 194 ? 0.7535 1.0088 0.6319 -0.1490 0.0480 -0.1036 194 GLU C OE2 3226 N N . VAL B 195 ? 0.6954 0.8821 0.5340 -0.1359 0.0524 -0.0799 195 VAL C N 3227 C CA . VAL B 195 ? 0.6860 0.8483 0.5213 -0.1405 0.0534 -0.0764 195 VAL C CA 3228 C C . VAL B 195 ? 0.6861 0.8365 0.5194 -0.1510 0.0547 -0.0732 195 VAL C C 3229 O O . VAL B 195 ? 0.6851 0.8312 0.5072 -0.1540 0.0573 -0.0673 195 VAL C O 3230 C CB . VAL B 195 ? 0.6945 0.8393 0.5123 -0.1341 0.0563 -0.0676 195 VAL C CB 3231 C CG1 . VAL B 195 ? 0.6998 0.8201 0.5143 -0.1392 0.0574 -0.0648 195 VAL C CG1 3232 C CG2 . VAL B 195 ? 0.6886 0.8499 0.5075 -0.1223 0.0549 -0.0707 195 VAL C CG2 3233 N N . VAL B 196 ? 0.6842 0.8306 0.5277 -0.1562 0.0534 -0.0771 196 VAL C N 3234 C CA . VAL B 196 ? 0.6924 0.8338 0.5358 -0.1653 0.0540 -0.0756 196 VAL C CA 3235 C C . VAL B 196 ? 0.6957 0.8173 0.5342 -0.1688 0.0552 -0.0725 196 VAL C C 3236 O O . VAL B 196 ? 0.6954 0.8122 0.5393 -0.1651 0.0541 -0.0747 196 VAL C O 3237 C CB . VAL B 196 ? 0.6809 0.8383 0.5401 -0.1666 0.0521 -0.0826 196 VAL C CB 3238 C CG1 . VAL B 196 ? 0.6834 0.8432 0.5410 -0.1743 0.0526 -0.0807 196 VAL C CG1 3239 C CG2 . VAL B 196 ? 0.6752 0.8526 0.5417 -0.1619 0.0510 -0.0881 196 VAL C CG2 3240 N N . HIS B 197 ? 0.7161 0.8270 0.5442 -0.1768 0.0578 -0.0681 197 HIS C N 3241 C CA . HIS B 197 ? 0.7169 0.8089 0.5380 -0.1814 0.0597 -0.0655 197 HIS C CA 3242 C C . HIS B 197 ? 0.7208 0.8118 0.5355 -0.1931 0.0624 -0.0645 197 HIS C C 3243 O O . HIS B 197 ? 0.7354 0.8331 0.5457 -0.1967 0.0643 -0.0633 197 HIS C O 3244 C CB . HIS B 197 ? 0.7303 0.8028 0.5371 -0.1766 0.0627 -0.0601 197 HIS C CB 3245 C CG . HIS B 197 ? 0.7386 0.7911 0.5389 -0.1796 0.0646 -0.0584 197 HIS C CG 3246 N ND1 . HIS B 197 ? 0.7281 0.7812 0.5381 -0.1768 0.0615 -0.0615 197 HIS C ND1 3247 C CD2 . HIS B 197 ? 0.7528 0.7834 0.5371 -0.1852 0.0699 -0.0542 197 HIS C CD2 3248 C CE1 . HIS B 197 ? 0.7318 0.7664 0.5327 -0.1802 0.0640 -0.0593 197 HIS C CE1 3249 N NE2 . HIS B 197 ? 0.7406 0.7608 0.5259 -0.1855 0.0692 -0.0553 197 HIS C NE2 3250 N N . LYS B 198 ? 0.7247 0.8097 0.5391 -0.1993 0.0629 -0.0656 198 LYS C N 3251 C CA . LYS B 198 ? 0.7369 0.8268 0.5471 -0.2117 0.0654 -0.0669 198 LYS C CA 3252 C C . LYS B 198 ? 0.7533 0.8264 0.5461 -0.2208 0.0724 -0.0634 198 LYS C C 3253 O O . LYS B 198 ? 0.7618 0.8417 0.5515 -0.2326 0.0753 -0.0657 198 LYS C O 3254 C CB . LYS B 198 ? 0.7460 0.8378 0.5605 -0.2156 0.0642 -0.0699 198 LYS C CB 3255 C CG . LYS B 198 ? 0.7707 0.8394 0.5767 -0.2158 0.0664 -0.0681 198 LYS C CG 3256 C CD . LYS B 198 ? 0.7855 0.8587 0.5924 -0.2235 0.0667 -0.0716 198 LYS C CD 3257 C CE . LYS B 198 ? 0.8039 0.8786 0.6014 -0.2389 0.0718 -0.0743 198 LYS C CE 3258 N NZ . LYS B 198 ? 0.8153 0.8854 0.6081 -0.2476 0.0741 -0.0780 198 LYS C NZ 3259 N N . THR B 199 ? 0.7595 0.8114 0.5404 -0.2152 0.0759 -0.0581 199 THR C N 3260 C CA . THR B 199 ? 0.7811 0.8123 0.5431 -0.2219 0.0846 -0.0535 199 THR C CA 3261 C C . THR B 199 ? 0.7993 0.8386 0.5573 -0.2209 0.0869 -0.0503 199 THR C C 3262 O O . THR B 199 ? 0.8214 0.8415 0.5623 -0.2242 0.0953 -0.0449 199 THR C O 3263 C CB . THR B 199 ? 0.7836 0.7864 0.5316 -0.2142 0.0889 -0.0477 199 THR C CB 3264 O OG1 . THR B 199 ? 0.7772 0.7876 0.5299 -0.1985 0.0844 -0.0450 199 THR C OG1 3265 C CG2 . THR B 199 ? 0.7815 0.7732 0.5304 -0.2169 0.0882 -0.0505 199 THR C CG2 3266 N N . SER B 200 ? 0.7853 0.8515 0.5579 -0.2160 0.0804 -0.0533 200 SER C N 3267 C CA . SER B 200 ? 0.7911 0.8697 0.5617 -0.2160 0.0819 -0.0515 200 SER C CA 3268 C C . SER B 200 ? 0.7712 0.8806 0.5590 -0.2177 0.0757 -0.0578 200 SER C C 3269 O O . SER B 200 ? 0.7592 0.8803 0.5612 -0.2116 0.0695 -0.0621 200 SER C O 3270 C CB . SER B 200 ? 0.8024 0.8793 0.5690 -0.2013 0.0814 -0.0466 200 SER C CB 3271 O OG . SER B 200 ? 0.8262 0.9080 0.5848 -0.2014 0.0854 -0.0426 200 SER C OG 3272 N N . SER B 201 ? 0.7805 0.9019 0.5661 -0.2258 0.0782 -0.0583 201 SER C N 3273 C CA . SER B 201 ? 0.7636 0.9151 0.5640 -0.2266 0.0729 -0.0639 201 SER C CA 3274 C C . SER B 201 ? 0.7451 0.9118 0.5552 -0.2137 0.0680 -0.0648 201 SER C C 3275 O O . SER B 201 ? 0.7453 0.9295 0.5699 -0.2090 0.0627 -0.0701 201 SER C O 3276 C CB . SER B 201 ? 0.7720 0.9339 0.5670 -0.2394 0.0774 -0.0645 201 SER C CB 3277 O OG . SER B 201 ? 0.7949 0.9488 0.5781 -0.2387 0.0826 -0.0588 201 SER C OG 3278 N N . SER B 202 ? 0.7424 0.9025 0.5436 -0.2077 0.0705 -0.0599 202 SER C N 3279 C CA . SER B 202 ? 0.7218 0.8974 0.5311 -0.1955 0.0663 -0.0617 202 SER C CA 3280 C C . SER B 202 ? 0.7064 0.8688 0.5131 -0.1850 0.0656 -0.0598 202 SER C C 3281 O O . SER B 202 ? 0.7226 0.8615 0.5160 -0.1860 0.0700 -0.0541 202 SER C O 3282 C CB . SER B 202 ? 0.7328 0.9178 0.5345 -0.1949 0.0693 -0.0580 202 SER C CB 3283 O OG . SER B 202 ? 0.7635 0.9260 0.5459 -0.1953 0.0766 -0.0493 202 SER C OG 3284 N N . PRO B 203 ? 0.6753 0.8532 0.4942 -0.1753 0.0608 -0.0651 203 PRO C N 3285 C CA . PRO B 203 ? 0.6682 0.8389 0.4867 -0.1659 0.0597 -0.0651 203 PRO C CA 3286 C C . PRO B 203 ? 0.6821 0.8449 0.4844 -0.1581 0.0636 -0.0574 203 PRO C C 3287 O O . PRO B 203 ? 0.6892 0.8627 0.4859 -0.1554 0.0653 -0.0546 203 PRO C O 3288 C CB . PRO B 203 ? 0.6472 0.8412 0.4830 -0.1599 0.0549 -0.0745 203 PRO C CB 3289 C CG . PRO B 203 ? 0.6438 0.8569 0.4842 -0.1627 0.0543 -0.0770 203 PRO C CG 3290 C CD . PRO B 203 ? 0.6550 0.8588 0.4887 -0.1733 0.0568 -0.0725 203 PRO C CD 3291 N N . VAL B 204 ? 0.6962 0.8405 0.4901 -0.1534 0.0654 -0.0535 204 VAL C N 3292 C CA . VAL B 204 ? 0.7177 0.8547 0.4954 -0.1424 0.0694 -0.0457 204 VAL C CA 3293 C C . VAL B 204 ? 0.7058 0.8700 0.4928 -0.1302 0.0648 -0.0513 204 VAL C C 3294 O O . VAL B 204 ? 0.6796 0.8530 0.4805 -0.1285 0.0603 -0.0592 204 VAL C O 3295 C CB . VAL B 204 ? 0.7301 0.8389 0.4953 -0.1402 0.0731 -0.0401 204 VAL C CB 3296 C CG1 . VAL B 204 ? 0.7425 0.8467 0.4912 -0.1251 0.0771 -0.0321 204 VAL C CG1 3297 C CG2 . VAL B 204 ? 0.7469 0.8297 0.5013 -0.1533 0.0790 -0.0356 204 VAL C CG2 3298 N N . VAL B 205 ? 0.7175 0.8949 0.4963 -0.1221 0.0668 -0.0472 205 VAL C N 3299 C CA . VAL B 205 ? 0.7116 0.9218 0.5002 -0.1121 0.0625 -0.0542 205 VAL C CA 3300 C C . VAL B 205 ? 0.7218 0.9364 0.4951 -0.0958 0.0653 -0.0471 205 VAL C C 3301 O O . VAL B 205 ? 0.7247 0.9265 0.4784 -0.0905 0.0716 -0.0354 205 VAL C O 3302 C CB . VAL B 205 ? 0.7213 0.9542 0.5175 -0.1158 0.0609 -0.0583 205 VAL C CB 3303 C CG1 . VAL B 205 ? 0.7007 0.9404 0.5169 -0.1269 0.0565 -0.0691 205 VAL C CG1 3304 C CG2 . VAL B 205 ? 0.7436 0.9622 0.5234 -0.1197 0.0669 -0.0475 205 VAL C CG2 3305 N N . LYS B 206 ? 0.7205 0.9528 0.5022 -0.0876 0.0614 -0.0542 206 LYS C N 3306 C CA . LYS B 206 ? 0.7386 0.9866 0.5093 -0.0699 0.0626 -0.0502 206 LYS C CA 3307 C C . LYS B 206 ? 0.7200 1.0112 0.5081 -0.0654 0.0569 -0.0641 206 LYS C C 3308 O O . LYS B 206 ? 0.6849 0.9857 0.4928 -0.0741 0.0526 -0.0771 206 LYS C O 3309 C CB . LYS B 206 ? 0.7507 0.9798 0.5127 -0.0636 0.0643 -0.0458 206 LYS C CB 3310 C CG . LYS B 206 ? 0.7751 0.9603 0.5191 -0.0681 0.0709 -0.0333 206 LYS C CG 3311 C CD . LYS B 206 ? 0.8065 0.9784 0.5251 -0.0573 0.0792 -0.0187 206 LYS C CD 3312 C CE . LYS B 206 ? 0.8372 0.9636 0.5390 -0.0659 0.0873 -0.0086 206 LYS C CE 3313 N NZ . LYS B 206 ? 0.8790 0.9843 0.5524 -0.0517 0.0976 0.0065 206 LYS C NZ 3314 N N . SER B 207 ? 0.7447 1.0620 0.5248 -0.0517 0.0577 -0.0615 207 SER C N 3315 C CA . SER B 207 ? 0.7371 1.1003 0.5325 -0.0469 0.0529 -0.0757 207 SER C CA 3316 C C . SER B 207 ? 0.7498 1.1395 0.5311 -0.0263 0.0544 -0.0703 207 SER C C 3317 O O . SER B 207 ? 0.7613 1.1350 0.5201 -0.0156 0.0600 -0.0542 207 SER C O 3318 C CB . SER B 207 ? 0.7211 1.1000 0.5287 -0.0561 0.0509 -0.0831 207 SER C CB 3319 O OG . SER B 207 ? 0.7410 1.1117 0.5323 -0.0521 0.0549 -0.0703 207 SER C OG 3320 N N . PHE B 208 ? 0.7602 1.1904 0.5542 -0.0207 0.0503 -0.0840 208 PHE C N 3321 C CA . PHE B 208 ? 0.7869 1.2572 0.5721 -0.0015 0.0503 -0.0830 208 PHE C CA 3322 C C . PHE B 208 ? 0.7829 1.2963 0.5865 -0.0063 0.0462 -0.0995 208 PHE C C 3323 O O . PHE B 208 ? 0.7384 1.2588 0.5641 -0.0217 0.0429 -0.1161 208 PHE C O 3324 C CB . PHE B 208 ? 0.7888 1.2777 0.5714 0.0112 0.0494 -0.0858 208 PHE C CB 3325 C CG . PHE B 208 ? 0.7657 1.2873 0.5735 0.0018 0.0443 -0.1082 208 PHE C CG 3326 C CD1 . PHE B 208 ? 0.7418 1.3184 0.5605 0.0069 0.0413 -0.1230 208 PHE C CD1 3327 C CD2 . PHE B 208 ? 0.7478 1.2456 0.5681 -0.0125 0.0433 -0.1149 208 PHE C CD2 3328 C CE1 . PHE B 208 ? 0.7218 1.3271 0.5636 -0.0037 0.0383 -0.1450 208 PHE C CE1 3329 C CE2 . PHE B 208 ? 0.7237 1.2489 0.5662 -0.0219 0.0404 -0.1353 208 PHE C CE2 3330 C CZ . PHE B 208 ? 0.7106 1.2886 0.5639 -0.0184 0.0383 -0.1509 208 PHE C CZ 3331 N N . ASN B 209 ? 0.8430 1.3840 0.6362 0.0075 0.0473 -0.0946 209 ASN C N 3332 C CA . ASN B 209 ? 0.8683 1.4580 0.6763 0.0070 0.0436 -0.1104 209 ASN C CA 3333 C C . ASN B 209 ? 0.8984 1.5366 0.7022 0.0261 0.0424 -0.1149 209 ASN C C 3334 O O . ASN B 209 ? 0.9237 1.5606 0.7045 0.0460 0.0460 -0.0983 209 ASN C O 3335 C CB . ASN B 209 ? 0.8869 1.4745 0.6861 0.0087 0.0457 -0.1011 209 ASN C CB 3336 C CG . ASN B 209 ? 0.8853 1.5178 0.7017 0.0046 0.0419 -0.1184 209 ASN C CG 3337 O OD1 . ASN B 209 ? 0.8758 1.4994 0.7068 -0.0117 0.0404 -0.1270 209 ASN C OD1 3338 N ND2 . ASN B 209 ? 0.8912 1.5739 0.7059 0.0202 0.0405 -0.1241 209 ASN C ND2 3339 N N . ARG B 210 ? 0.9260 1.6059 0.7511 0.0202 0.0383 -0.1373 210 ARG C N 3340 C CA . ARG B 210 ? 0.9849 1.7249 0.8099 0.0366 0.0364 -0.1464 210 ARG C CA 3341 C C . ARG B 210 ? 1.0637 1.8038 0.8684 0.0577 0.0385 -0.1325 210 ARG C C 3342 O O . ARG B 210 ? 1.0667 1.8001 0.8776 0.0534 0.0376 -0.1383 210 ARG C O 3343 C CB . ARG B 210 ? 0.9805 1.7552 0.8013 0.0457 0.0361 -0.1460 210 ARG C CB 3344 C CG . ARG B 210 ? 0.9662 1.8116 0.7906 0.0605 0.0336 -0.1592 210 ARG C CG 3345 C CD . ARG B 210 ? 0.9695 1.8444 0.7880 0.0699 0.0337 -0.1563 210 ARG C CD 3346 N NE . ARG B 210 ? 0.9428 1.8113 0.7795 0.0492 0.0321 -0.1688 210 ARG C NE 3347 N N . ASN B 211 ? 1.1499 1.8956 0.9298 0.0807 0.0420 -0.1139 211 ASN C N 3348 C CA . ASN B 211 ? 1.2047 1.9439 0.9611 0.1034 0.0457 -0.0973 211 ASN C CA 3349 C C . ASN B 211 ? 1.2633 1.9621 0.9895 0.1179 0.0533 -0.0696 211 ASN C C 3350 O O . ASN B 211 ? 1.2774 1.9935 0.9946 0.1276 0.0553 -0.0633 211 ASN C O 3351 C CB . ASN B 211 ? 1.2042 2.0121 0.9603 0.1238 0.0432 -0.1068 211 ASN C CB 3352 C CG . ASN B 211 ? 1.2056 2.0695 0.9683 0.1292 0.0407 -0.1170 211 ASN C CG 3353 O OD1 . ASN B 211 ? 1.1967 2.1198 0.9766 0.1284 0.0362 -0.1387 211 ASN C OD1 3354 N ND2 . ASN B 211 ? 1.2163 2.0633 0.9652 0.1344 0.0442 -0.1023 211 ASN C ND2 3355 N N . GLU B 212 ? 1.2966 1.9410 1.0074 0.1185 0.0583 -0.0540 212 GLU C N 3356 C CA . GLU B 212 ? 1.3277 1.9257 1.0087 0.1298 0.0678 -0.0283 212 GLU C CA 3357 C C . GLU B 212 ? 1.3537 1.9109 1.0160 0.1388 0.0733 -0.0143 212 GLU C C 3358 O O . GLU B 212 ? 1.3521 1.9350 1.0127 0.1530 0.0715 -0.0177 212 GLU C O 3359 C CB . GLU B 212 ? 1.3140 1.8698 0.9998 0.1075 0.0695 -0.0253 212 GLU C CB 3360 N N . GLU C 1 ? 0.9873 0.9131 0.9263 0.0286 0.0188 -0.0020 1 GLU D N 3361 C CA . GLU C 1 ? 0.9854 0.9200 0.9201 0.0380 0.0216 -0.0005 1 GLU D CA 3362 C C . GLU C 1 ? 0.9426 0.8940 0.8721 0.0366 0.0186 -0.0053 1 GLU D C 3363 O O . GLU C 1 ? 0.9327 0.8984 0.8601 0.0423 0.0203 -0.0021 1 GLU D O 3364 C CB . GLU C 1 ? 1.0329 0.9491 0.9637 0.0443 0.0248 -0.0042 1 GLU D CB 3365 C CG . GLU C 1 ? 1.0801 0.9797 1.0156 0.0482 0.0294 0.0023 1 GLU D CG 3366 C CD . GLU C 1 ? 1.1243 0.9974 1.0565 0.0484 0.0310 -0.0048 1 GLU D CD 3367 O OE1 . GLU C 1 ? 1.1395 1.0089 1.0646 0.0531 0.0315 -0.0117 1 GLU D OE1 3368 O OE2 . GLU C 1 ? 1.1351 0.9910 1.0717 0.0436 0.0319 -0.0036 1 GLU D OE2 3369 N N . VAL C 2 ? 0.9154 0.8655 0.8428 0.0289 0.0144 -0.0126 2 VAL D N 3370 C CA . VAL C 2 ? 0.8818 0.8468 0.8051 0.0264 0.0118 -0.0161 2 VAL D CA 3371 C C . VAL C 2 ? 0.8597 0.8393 0.7865 0.0230 0.0110 -0.0105 2 VAL D C 3372 O O . VAL C 2 ? 0.8497 0.8265 0.7804 0.0174 0.0093 -0.0094 2 VAL D O 3373 C CB . VAL C 2 ? 0.8817 0.8406 0.8016 0.0201 0.0080 -0.0248 2 VAL D CB 3374 C CG1 . VAL C 2 ? 0.8631 0.8366 0.7795 0.0172 0.0059 -0.0269 2 VAL D CG1 3375 C CG2 . VAL C 2 ? 0.9001 0.8465 0.8154 0.0235 0.0087 -0.0315 2 VAL D CG2 3376 N N . GLN C 3 ? 0.8363 0.8320 0.7614 0.0260 0.0121 -0.0075 3 GLN D N 3377 C CA . GLN C 3 ? 0.8041 0.8146 0.7315 0.0233 0.0117 -0.0029 3 GLN D CA 3378 C C . GLN C 3 ? 0.7621 0.7874 0.6846 0.0219 0.0109 -0.0055 3 GLN D C 3379 O O . GLN C 3 ? 0.7653 0.7941 0.6840 0.0252 0.0118 -0.0077 3 GLN D O 3380 C CB . GLN C 3 ? 0.8333 0.8500 0.7655 0.0286 0.0149 0.0059 3 GLN D CB 3381 C CG . GLN C 3 ? 0.8586 0.8650 0.7970 0.0271 0.0154 0.0105 3 GLN D CG 3382 C CD . GLN C 3 ? 0.8704 0.8826 0.8137 0.0334 0.0191 0.0203 3 GLN D CD 3383 O OE1 . GLN C 3 ? 0.8899 0.9002 0.8326 0.0409 0.0223 0.0231 3 GLN D OE1 3384 N NE2 . GLN C 3 ? 0.8631 0.8833 0.8112 0.0312 0.0190 0.0261 3 GLN D NE2 3385 N N . LEU C 4 ? 0.7302 0.7639 0.6529 0.0168 0.0096 -0.0052 4 LEU D N 3386 C CA . LEU C 4 ? 0.7115 0.7582 0.6297 0.0140 0.0091 -0.0075 4 LEU D CA 3387 C C . LEU C 4 ? 0.6946 0.7543 0.6147 0.0124 0.0097 -0.0031 4 LEU D C 3388 O O . LEU C 4 ? 0.6774 0.7341 0.6011 0.0108 0.0092 -0.0006 4 LEU D O 3389 C CB . LEU C 4 ? 0.7089 0.7491 0.6232 0.0086 0.0068 -0.0139 4 LEU D CB 3390 C CG . LEU C 4 ? 0.7029 0.7336 0.6140 0.0097 0.0060 -0.0191 4 LEU D CG 3391 C CD1 . LEU C 4 ? 0.7017 0.7195 0.6138 0.0067 0.0039 -0.0222 4 LEU D CD1 3392 C CD2 . LEU C 4 ? 0.6972 0.7347 0.6027 0.0078 0.0059 -0.0229 4 LEU D CD2 3393 N N . GLN C 5 ? 0.7000 0.7753 0.6177 0.0125 0.0107 -0.0024 5 GLN D N 3394 C CA . GLN C 5 ? 0.7054 0.7954 0.6242 0.0108 0.0113 0.0007 5 GLN D CA 3395 C C . GLN C 5 ? 0.6841 0.7838 0.5971 0.0052 0.0108 -0.0040 5 GLN D C 3396 O O . GLN C 5 ? 0.6917 0.7999 0.6023 0.0057 0.0114 -0.0051 5 GLN D O 3397 C CB . GLN C 5 ? 0.7348 0.8377 0.6572 0.0172 0.0136 0.0080 5 GLN D CB 3398 C CG . GLN C 5 ? 0.7515 0.8584 0.6793 0.0191 0.0145 0.0147 5 GLN D CG 3399 C CD . GLN C 5 ? 0.7783 0.8687 0.7113 0.0226 0.0151 0.0185 5 GLN D CD 3400 O OE1 . GLN C 5 ? 0.8035 0.8795 0.7359 0.0243 0.0151 0.0159 5 GLN D OE1 3401 N NE2 . GLN C 5 ? 0.7852 0.8778 0.7232 0.0234 0.0158 0.0245 5 GLN D NE2 3402 N N . GLU C 6 ? 0.6638 0.7624 0.5748 0.0000 0.0099 -0.0067 6 GLU D N 3403 C CA . GLU C 6 ? 0.6706 0.7763 0.5758 -0.0059 0.0100 -0.0115 6 GLU D CA 3404 C C . GLU C 6 ? 0.6724 0.7959 0.5776 -0.0071 0.0108 -0.0094 6 GLU D C 3405 O O . GLU C 6 ? 0.6731 0.7992 0.5814 -0.0054 0.0110 -0.0058 6 GLU D O 3406 C CB . GLU C 6 ? 0.6691 0.7623 0.5707 -0.0105 0.0092 -0.0162 6 GLU D CB 3407 C CG . GLU C 6 ? 0.6710 0.7483 0.5727 -0.0095 0.0082 -0.0181 6 GLU D CG 3408 C CD . GLU C 6 ? 0.6785 0.7467 0.5847 -0.0072 0.0072 -0.0153 6 GLU D CD 3409 O OE1 . GLU C 6 ? 0.6765 0.7501 0.5867 -0.0054 0.0076 -0.0108 6 GLU D OE1 3410 O OE2 . GLU C 6 ? 0.6966 0.7532 0.6026 -0.0074 0.0061 -0.0174 6 GLU D OE2 3411 N N . SER C 7 ? 0.6776 0.8148 0.5795 -0.0103 0.0113 -0.0116 7 SER D N 3412 C CA . SER C 7 ? 0.6770 0.8328 0.5776 -0.0132 0.0119 -0.0112 7 SER D CA 3413 C C . SER C 7 ? 0.6855 0.8429 0.5792 -0.0221 0.0119 -0.0187 7 SER D C 3414 O O . SER C 7 ? 0.6789 0.8330 0.5699 -0.0251 0.0119 -0.0218 7 SER D O 3415 C CB . SER C 7 ? 0.6694 0.8453 0.5735 -0.0084 0.0128 -0.0055 7 SER D CB 3416 O OG . SER C 7 ? 0.6836 0.8635 0.5860 -0.0088 0.0130 -0.0068 7 SER D OG 3417 N N . GLY C 8 ? 0.6939 0.8553 0.5846 -0.0263 0.0122 -0.0215 8 GLY D N 3418 C CA . GLY C 8 ? 0.6987 0.8598 0.5821 -0.0352 0.0127 -0.0290 8 GLY D CA 3419 C C . GLY C 8 ? 0.6923 0.8682 0.5731 -0.0388 0.0131 -0.0311 8 GLY D C 3420 O O . GLY C 8 ? 0.6878 0.8746 0.5727 -0.0337 0.0129 -0.0261 8 GLY D O 3421 N N . PRO C 9 ? 0.6989 0.8749 0.5726 -0.0478 0.0138 -0.0387 9 PRO D N 3422 C CA . PRO C 9 ? 0.7132 0.9011 0.5828 -0.0521 0.0143 -0.0426 9 PRO D CA 3423 C C . PRO C 9 ? 0.7316 0.9030 0.5985 -0.0502 0.0151 -0.0445 9 PRO D C 3424 O O . PRO C 9 ? 0.7962 0.9461 0.6601 -0.0513 0.0160 -0.0474 9 PRO D O 3425 C CB . PRO C 9 ? 0.7180 0.9072 0.5807 -0.0631 0.0150 -0.0507 9 PRO D CB 3426 C CG . PRO C 9 ? 0.7200 0.8872 0.5814 -0.0642 0.0157 -0.0521 9 PRO D CG 3427 C CD . PRO C 9 ? 0.7118 0.8731 0.5804 -0.0543 0.0146 -0.0444 9 PRO D CD 3428 N N . GLY C 10 ? 0.7033 0.8853 0.5716 -0.0465 0.0150 -0.0421 10 GLY D N 3429 C CA . GLY C 10 ? 0.6898 0.8582 0.5556 -0.0441 0.0160 -0.0434 10 GLY D CA 3430 C C . GLY C 10 ? 0.6847 0.8389 0.5407 -0.0515 0.0179 -0.0530 10 GLY D C 3431 O O . GLY C 10 ? 0.6706 0.8035 0.5241 -0.0506 0.0190 -0.0545 10 GLY D O 3432 N N . LEU C 11 ? 0.6976 0.8643 0.5480 -0.0591 0.0183 -0.0595 11 LEU D N 3433 C CA . LEU C 11 ? 0.7089 0.8630 0.5490 -0.0672 0.0206 -0.0696 11 LEU D CA 3434 C C . LEU C 11 ? 0.7157 0.8671 0.5529 -0.0764 0.0210 -0.0743 11 LEU D C 3435 O O . LEU C 11 ? 0.7092 0.8799 0.5500 -0.0792 0.0193 -0.0724 11 LEU D O 3436 C CB . LEU C 11 ? 0.7043 0.8741 0.5392 -0.0705 0.0211 -0.0749 11 LEU D CB 3437 C CG . LEU C 11 ? 0.7159 0.8719 0.5390 -0.0785 0.0239 -0.0863 11 LEU D CG 3438 C CD1 . LEU C 11 ? 0.7188 0.8468 0.5380 -0.0739 0.0265 -0.0871 11 LEU D CD1 3439 C CD2 . LEU C 11 ? 0.7190 0.8942 0.5376 -0.0806 0.0238 -0.0910 11 LEU D CD2 3440 N N . VAL C 12 ? 0.7364 0.8642 0.5672 -0.0806 0.0234 -0.0796 12 VAL D N 3441 C CA . VAL C 12 ? 0.7592 0.8816 0.5856 -0.0908 0.0246 -0.0851 12 VAL D CA 3442 C C . VAL C 12 ? 0.7828 0.8853 0.5985 -0.0971 0.0283 -0.0944 12 VAL D C 3443 O O . VAL C 12 ? 0.7705 0.8546 0.5833 -0.0911 0.0303 -0.0941 12 VAL D O 3444 C CB . VAL C 12 ? 0.7582 0.8678 0.5888 -0.0882 0.0245 -0.0802 12 VAL D CB 3445 C CG1 . VAL C 12 ? 0.7618 0.8735 0.5901 -0.0985 0.0251 -0.0839 12 VAL D CG1 3446 C CG2 . VAL C 12 ? 0.7467 0.8683 0.5874 -0.0788 0.0215 -0.0708 12 VAL D CG2 3447 N N . GLN C 13 ? 0.8138 0.9196 0.6232 -0.1090 0.0295 -0.1025 13 GLN D N 3448 C CA . GLN C 13 ? 0.8577 0.9421 0.6559 -0.1159 0.0336 -0.1121 13 GLN D CA 3449 C C . GLN C 13 ? 0.8756 0.9345 0.6715 -0.1188 0.0366 -0.1122 13 GLN D C 3450 O O . GLN C 13 ? 0.8502 0.9133 0.6524 -0.1185 0.0350 -0.1065 13 GLN D O 3451 C CB . GLN C 13 ? 0.8772 0.9765 0.6693 -0.1283 0.0336 -0.1216 13 GLN D CB 3452 C CG . GLN C 13 ? 0.8771 0.9990 0.6694 -0.1248 0.0316 -0.1225 13 GLN D CG 3453 C CD . GLN C 13 ? 0.8864 1.0336 0.6760 -0.1364 0.0300 -0.1295 13 GLN D CD 3454 O OE1 . GLN C 13 ? 0.9068 1.0504 0.6917 -0.1491 0.0312 -0.1362 13 GLN D OE1 3455 N NE2 . GLN C 13 ? 0.8809 1.0549 0.6733 -0.1324 0.0274 -0.1275 13 GLN D NE2 3456 N N . PRO C 14 ? 0.9147 0.9468 0.7013 -0.1203 0.0414 -0.1179 14 PRO D N 3457 C CA . PRO C 14 ? 0.9352 0.9433 0.7189 -0.1234 0.0449 -0.1177 14 PRO D CA 3458 C C . PRO C 14 ? 0.9683 0.9825 0.7512 -0.1373 0.0450 -0.1216 14 PRO D C 3459 O O . PRO C 14 ? 0.9915 1.0206 0.7712 -0.1470 0.0440 -0.1286 14 PRO D O 3460 C CB . PRO C 14 ? 0.9482 0.9294 0.7209 -0.1230 0.0505 -0.1241 14 PRO D CB 3461 C CG . PRO C 14 ? 0.9428 0.9321 0.7156 -0.1137 0.0491 -0.1234 14 PRO D CG 3462 C CD . PRO C 14 ? 0.9250 0.9470 0.7044 -0.1159 0.0439 -0.1225 14 PRO D CD 3463 N N . SER C 15 ? 0.9932 0.9984 0.7792 -0.1379 0.0459 -0.1168 15 SER D N 3464 C CA . SER C 15 ? 1.0146 1.0277 0.8017 -0.1500 0.0456 -0.1181 15 SER D CA 3465 C C . SER C 15 ? 0.9898 1.0352 0.7864 -0.1499 0.0402 -0.1129 15 SER D C 3466 O O . SER C 15 ? 1.0102 1.0618 0.8101 -0.1553 0.0398 -0.1102 15 SER D O 3467 C CB . SER C 15 ? 1.0328 1.0397 0.8106 -0.1655 0.0487 -0.1293 15 SER D CB 3468 O OG . SER C 15 ? 1.0650 1.0392 0.8333 -0.1653 0.0545 -0.1339 15 SER D OG 3469 N N . GLU C 16 ? 0.9539 1.0199 0.7547 -0.1433 0.0366 -0.1109 16 GLU D N 3470 C CA . GLU C 16 ? 0.9279 1.0221 0.7381 -0.1395 0.0321 -0.1040 16 GLU D CA 3471 C C . GLU C 16 ? 0.9022 0.9891 0.7192 -0.1287 0.0313 -0.0949 16 GLU D C 3472 O O . GLU C 16 ? 0.9068 0.9694 0.7216 -0.1239 0.0338 -0.0937 16 GLU D O 3473 C CB . GLU C 16 ? 0.9302 1.0460 0.7433 -0.1337 0.0291 -0.1030 16 GLU D CB 3474 C CG . GLU C 16 ? 0.9614 1.0913 0.7686 -0.1439 0.0291 -0.1118 16 GLU D CG 3475 C CD . GLU C 16 ? 0.9661 1.1218 0.7772 -0.1374 0.0260 -0.1091 16 GLU D CD 3476 O OE1 . GLU C 16 ? 0.9797 1.1530 0.7869 -0.1453 0.0254 -0.1156 16 GLU D OE1 3477 O OE2 . GLU C 16 ? 0.9473 1.1062 0.7655 -0.1247 0.0243 -0.1005 16 GLU D OE2 3478 N N . THR C 17 ? 0.8628 0.9712 0.6877 -0.1248 0.0279 -0.0886 17 THR D N 3479 C CA . THR C 17 ? 0.8373 0.9412 0.6683 -0.1154 0.0269 -0.0807 17 THR D CA 3480 C C . THR C 17 ? 0.7984 0.9153 0.6365 -0.1036 0.0238 -0.0745 17 THR D C 3481 O O . THR C 17 ? 0.7921 0.9309 0.6326 -0.1038 0.0218 -0.0740 17 THR D O 3482 C CB . THR C 17 ? 0.8351 0.9499 0.6688 -0.1209 0.0265 -0.0785 17 THR D CB 3483 O OG1 . THR C 17 ? 0.8292 0.9737 0.6666 -0.1234 0.0239 -0.0774 17 THR D OG1 3484 C CG2 . THR C 17 ? 0.8510 0.9521 0.6779 -0.1336 0.0300 -0.0844 17 THR D CG2 3485 N N . LEU C 18 ? 0.7610 0.8642 0.6022 -0.0938 0.0235 -0.0697 18 LEU D N 3486 C CA . LEU C 18 ? 0.7343 0.8456 0.5823 -0.0829 0.0210 -0.0636 18 LEU D CA 3487 C C . LEU C 18 ? 0.7008 0.8226 0.5547 -0.0787 0.0192 -0.0580 18 LEU D C 3488 O O . LEU C 18 ? 0.7113 0.8242 0.5647 -0.0797 0.0200 -0.0574 18 LEU D O 3489 C CB . LEU C 18 ? 0.7480 0.8390 0.5960 -0.0753 0.0216 -0.0618 18 LEU D CB 3490 C CG . LEU C 18 ? 0.7431 0.8385 0.5980 -0.0648 0.0192 -0.0555 18 LEU D CG 3491 C CD1 . LEU C 18 ? 0.7437 0.8519 0.5995 -0.0635 0.0185 -0.0554 18 LEU D CD1 3492 C CD2 . LEU C 18 ? 0.7525 0.8282 0.6076 -0.0589 0.0198 -0.0537 18 LEU D CD2 3493 N N . SER C 19 ? 0.6533 0.7940 0.5127 -0.0734 0.0172 -0.0535 19 SER D N 3494 C CA . SER C 19 ? 0.6260 0.7743 0.4911 -0.0666 0.0159 -0.0477 19 SER D CA 3495 C C . SER C 19 ? 0.6023 0.7513 0.4730 -0.0561 0.0145 -0.0423 19 SER D C 3496 O O . SER C 19 ? 0.6011 0.7611 0.4732 -0.0547 0.0141 -0.0411 19 SER D O 3497 C CB . SER C 19 ? 0.6185 0.7908 0.4848 -0.0708 0.0154 -0.0467 19 SER D CB 3498 O OG . SER C 19 ? 0.6213 0.8141 0.4912 -0.0670 0.0144 -0.0433 19 SER D OG 3499 N N . LEU C 20 ? 0.5922 0.7291 0.4658 -0.0492 0.0140 -0.0392 20 LEU D N 3500 C CA . LEU C 20 ? 0.5851 0.7195 0.4641 -0.0400 0.0129 -0.0344 20 LEU D CA 3501 C C . LEU C 20 ? 0.5752 0.7170 0.4584 -0.0335 0.0124 -0.0298 20 LEU D C 3502 O O . LEU C 20 ? 0.5754 0.7197 0.4573 -0.0352 0.0126 -0.0306 20 LEU D O 3503 C CB . LEU C 20 ? 0.5907 0.7033 0.4691 -0.0375 0.0128 -0.0353 20 LEU D CB 3504 C CG . LEU C 20 ? 0.5961 0.6990 0.4702 -0.0416 0.0138 -0.0390 20 LEU D CG 3505 C CD1 . LEU C 20 ? 0.5954 0.6789 0.4689 -0.0386 0.0139 -0.0391 20 LEU D CD1 3506 C CD2 . LEU C 20 ? 0.5960 0.7090 0.4721 -0.0398 0.0135 -0.0371 20 LEU D CD2 3507 N N . THR C 21 ? 0.5668 0.7119 0.4551 -0.0259 0.0119 -0.0247 21 THR D N 3508 C CA . THR C 21 ? 0.5662 0.7148 0.4584 -0.0181 0.0119 -0.0201 21 THR D CA 3509 C C . THR C 21 ? 0.5653 0.6970 0.4610 -0.0117 0.0114 -0.0180 21 THR D C 3510 O O . THR C 21 ? 0.5565 0.6839 0.4540 -0.0113 0.0111 -0.0168 21 THR D O 3511 C CB . THR C 21 ? 0.5588 0.7303 0.4539 -0.0148 0.0127 -0.0151 21 THR D CB 3512 O OG1 . THR C 21 ? 0.5536 0.7417 0.4459 -0.0204 0.0130 -0.0169 21 THR D OG1 3513 C CG2 . THR C 21 ? 0.5582 0.7302 0.4579 -0.0043 0.0135 -0.0090 21 THR D CG2 3514 N N . CYS C 22 ? 0.5705 0.6935 0.4668 -0.0073 0.0112 -0.0179 22 CYS D N 3515 C CA . CYS C 22 ? 0.5845 0.6931 0.4842 -0.0014 0.0107 -0.0160 22 CYS D CA 3516 C C . CYS C 22 ? 0.5812 0.6956 0.4837 0.0064 0.0119 -0.0117 22 CYS D C 3517 O O . CYS C 22 ? 0.5770 0.6969 0.4773 0.0079 0.0125 -0.0125 22 CYS D O 3518 C CB . CYS C 22 ? 0.5994 0.6913 0.4966 -0.0030 0.0096 -0.0205 22 CYS D CB 3519 S SG . CYS C 22 ? 0.6245 0.6992 0.5254 0.0024 0.0086 -0.0197 22 CYS D SG 3520 N N . THR C 23 ? 0.5798 0.6932 0.4868 0.0117 0.0127 -0.0067 23 THR D N 3521 C CA . THR C 23 ? 0.5868 0.7034 0.4964 0.0205 0.0146 -0.0017 23 THR D CA 3522 C C . THR C 23 ? 0.5796 0.6753 0.4916 0.0244 0.0145 -0.0019 23 THR D C 3523 O O . THR C 23 ? 0.5617 0.6476 0.4764 0.0222 0.0136 -0.0014 23 THR D O 3524 C CB . THR C 23 ? 0.5967 0.7305 0.5099 0.0241 0.0164 0.0053 23 THR D CB 3525 O OG1 . THR C 23 ? 0.6259 0.7526 0.5430 0.0238 0.0162 0.0080 23 THR D OG1 3526 C CG2 . THR C 23 ? 0.5913 0.7462 0.5021 0.0182 0.0160 0.0042 23 THR D CG2 3527 N N . VAL C 24 ? 0.5774 0.6674 0.4882 0.0301 0.0156 -0.0025 24 VAL D N 3528 C CA . VAL C 24 ? 0.5878 0.6573 0.4986 0.0322 0.0151 -0.0056 24 VAL D CA 3529 C C . VAL C 24 ? 0.5915 0.6559 0.5049 0.0415 0.0181 -0.0006 24 VAL D C 3530 O O . VAL C 24 ? 0.5961 0.6735 0.5092 0.0477 0.0206 0.0036 24 VAL D O 3531 C CB . VAL C 24 ? 0.5867 0.6531 0.4922 0.0304 0.0138 -0.0122 24 VAL D CB 3532 C CG1 . VAL C 24 ? 0.5974 0.6499 0.5014 0.0364 0.0146 -0.0148 24 VAL D CG1 3533 C CG2 . VAL C 24 ? 0.5760 0.6368 0.4798 0.0220 0.0110 -0.0171 24 VAL D CG2 3534 N N . SER C 25 ? 0.5927 0.6384 0.5086 0.0424 0.0182 -0.0010 25 SER D N 3535 C CA . SER C 25 ? 0.6061 0.6413 0.5235 0.0510 0.0215 0.0023 25 SER D CA 3536 C C . SER C 25 ? 0.6147 0.6261 0.5315 0.0493 0.0204 -0.0033 25 SER D C 3537 O O . SER C 25 ? 0.6135 0.6181 0.5315 0.0417 0.0174 -0.0068 25 SER D O 3538 C CB . SER C 25 ? 0.6075 0.6483 0.5305 0.0550 0.0242 0.0117 25 SER D CB 3539 O OG . SER C 25 ? 0.6054 0.6358 0.5329 0.0499 0.0230 0.0128 25 SER D OG 3540 N N . GLY C 26 ? 0.6365 0.6362 0.5513 0.0564 0.0230 -0.0044 26 GLY D N 3541 C CA . GLY C 26 ? 0.6550 0.6316 0.5685 0.0548 0.0223 -0.0108 26 GLY D CA 3542 C C . GLY C 26 ? 0.6596 0.6327 0.5665 0.0544 0.0205 -0.0199 26 GLY D C 3543 O O . GLY C 26 ? 0.6800 0.6355 0.5850 0.0531 0.0197 -0.0262 26 GLY D O 3544 N N . PHE C 27 ? 0.6522 0.6425 0.5557 0.0552 0.0198 -0.0205 27 PHE D N 3545 C CA . PHE C 27 ? 0.6513 0.6420 0.5486 0.0555 0.0184 -0.0278 27 PHE D CA 3546 C C . PHE C 27 ? 0.6518 0.6641 0.5467 0.0581 0.0191 -0.0251 27 PHE D C 3547 O O . PHE C 27 ? 0.6473 0.6744 0.5452 0.0582 0.0202 -0.0185 27 PHE D O 3548 C CB . PHE C 27 ? 0.6406 0.6270 0.5371 0.0460 0.0140 -0.0342 27 PHE D CB 3549 C CG . PHE C 27 ? 0.6233 0.6228 0.5223 0.0388 0.0119 -0.0314 27 PHE D CG 3550 C CD1 . PHE C 27 ? 0.6178 0.6161 0.5223 0.0349 0.0115 -0.0270 27 PHE D CD1 3551 C CD2 . PHE C 27 ? 0.6108 0.6228 0.5063 0.0357 0.0105 -0.0335 27 PHE D CD2 3552 C CE1 . PHE C 27 ? 0.6041 0.6132 0.5098 0.0288 0.0099 -0.0252 27 PHE D CE1 3553 C CE2 . PHE C 27 ? 0.5960 0.6173 0.4930 0.0291 0.0090 -0.0317 27 PHE D CE2 3554 C CZ . PHE C 27 ? 0.5898 0.6095 0.4916 0.0258 0.0087 -0.0279 27 PHE D CZ 3555 N N . SER C 28 ? 0.6603 0.6753 0.5498 0.0597 0.0185 -0.0303 28 SER D N 3556 C CA . SER C 28 ? 0.6607 0.6964 0.5478 0.0603 0.0187 -0.0285 28 SER D CA 3557 C C . SER C 28 ? 0.6598 0.7002 0.5453 0.0512 0.0153 -0.0327 28 SER D C 3558 O O . SER C 28 ? 0.6726 0.7013 0.5563 0.0477 0.0130 -0.0387 28 SER D O 3559 C CB . SER C 28 ? 0.6707 0.7088 0.5528 0.0696 0.0211 -0.0301 28 SER D CB 3560 O OG . SER C 28 ? 0.6691 0.6977 0.5466 0.0683 0.0192 -0.0381 28 SER D OG 3561 N N . LEU C 29 ? 0.6473 0.7055 0.5333 0.0474 0.0151 -0.0294 29 LEU D N 3562 C CA . LEU C 29 ? 0.6368 0.7003 0.5208 0.0395 0.0129 -0.0324 29 LEU D CA 3563 C C . LEU C 29 ? 0.6275 0.6931 0.5064 0.0418 0.0126 -0.0366 29 LEU D C 3564 O O . LEU C 29 ? 0.6135 0.6796 0.4906 0.0359 0.0109 -0.0393 29 LEU D O 3565 C CB . LEU C 29 ? 0.6310 0.7121 0.5164 0.0346 0.0133 -0.0281 29 LEU D CB 3566 C CG . LEU C 29 ? 0.6309 0.7125 0.5206 0.0311 0.0131 -0.0245 29 LEU D CG 3567 C CD1 . LEU C 29 ? 0.6255 0.7273 0.5158 0.0275 0.0139 -0.0208 29 LEU D CD1 3568 C CD2 . LEU C 29 ? 0.6316 0.7007 0.5221 0.0241 0.0108 -0.0277 29 LEU D CD2 3569 N N . THR C 30 ? 0.6315 0.6992 0.5079 0.0507 0.0147 -0.0365 30 THR D N 3570 C CA . THR C 30 ? 0.6442 0.7147 0.5155 0.0539 0.0147 -0.0405 30 THR D CA 3571 C C . THR C 30 ? 0.6417 0.6956 0.5102 0.0534 0.0127 -0.0478 30 THR D C 3572 O O . THR C 30 ? 0.6265 0.6840 0.4909 0.0539 0.0120 -0.0514 30 THR D O 3573 C CB . THR C 30 ? 0.6617 0.7397 0.5305 0.0648 0.0178 -0.0385 30 THR D CB 3574 O OG1 . THR C 30 ? 0.6808 0.7481 0.5516 0.0711 0.0199 -0.0366 30 THR D OG1 3575 C CG2 . THR C 30 ? 0.6586 0.7603 0.5282 0.0646 0.0193 -0.0324 30 THR D CG2 3576 N N . SER C 31 ? 0.6353 0.6727 0.5062 0.0524 0.0119 -0.0498 31 SER D N 3577 C CA . SER C 31 ? 0.6368 0.6595 0.5055 0.0506 0.0097 -0.0569 31 SER D CA 3578 C C . SER C 31 ? 0.6139 0.6295 0.4861 0.0417 0.0069 -0.0577 31 SER D C 3579 O O . SER C 31 ? 0.6123 0.6170 0.4834 0.0396 0.0049 -0.0632 31 SER D O 3580 C CB . SER C 31 ? 0.6547 0.6624 0.5218 0.0577 0.0114 -0.0602 31 SER D CB 3581 O OG . SER C 31 ? 0.6622 0.6622 0.5342 0.0579 0.0128 -0.0558 31 SER D OG 3582 N N . TYR C 32 ? 0.5922 0.6150 0.4683 0.0365 0.0067 -0.0525 32 TYR D N 3583 C CA . TYR C 32 ? 0.5719 0.5904 0.4507 0.0287 0.0044 -0.0526 32 TYR D CA 3584 C C . TYR C 32 ? 0.5431 0.5735 0.4222 0.0236 0.0045 -0.0490 32 TYR D C 3585 O O . TYR C 32 ? 0.5336 0.5747 0.4133 0.0246 0.0063 -0.0448 32 TYR D O 3586 C CB . TYR C 32 ? 0.5795 0.5889 0.4634 0.0274 0.0045 -0.0500 32 TYR D CB 3587 C CG . TYR C 32 ? 0.5988 0.5927 0.4830 0.0286 0.0037 -0.0544 32 TYR D CG 3588 C CD1 . TYR C 32 ? 0.6063 0.5934 0.4907 0.0231 0.0008 -0.0586 32 TYR D CD1 3589 C CD2 . TYR C 32 ? 0.6234 0.6093 0.5074 0.0352 0.0060 -0.0544 32 TYR D CD2 3590 C CE1 . TYR C 32 ? 0.6248 0.5981 0.5095 0.0228 0.0000 -0.0633 32 TYR D CE1 3591 C CE2 . TYR C 32 ? 0.6431 0.6125 0.5271 0.0354 0.0056 -0.0591 32 TYR D CE2 3592 C CZ . TYR C 32 ? 0.6448 0.6082 0.5292 0.0286 0.0023 -0.0639 32 TYR D CZ 3593 O OH . TYR C 32 ? 0.6740 0.6216 0.5582 0.0275 0.0018 -0.0692 32 TYR D OH 3594 N N . SER C 33 ? 0.5188 0.5475 0.3973 0.0182 0.0028 -0.0505 33 SER D N 3595 C CA . SER C 33 ? 0.4997 0.5357 0.3782 0.0128 0.0033 -0.0474 33 SER D CA 3596 C C . SER C 33 ? 0.4930 0.5263 0.3756 0.0093 0.0032 -0.0444 33 SER D C 3597 O O . SER C 33 ? 0.4947 0.5195 0.3804 0.0096 0.0021 -0.0447 33 SER D O 3598 C CB . SER C 33 ? 0.4887 0.5241 0.3643 0.0098 0.0023 -0.0495 33 SER D CB 3599 O OG . SER C 33 ? 0.4830 0.5240 0.3547 0.0129 0.0027 -0.0514 33 SER D OG 3600 N N . VAL C 34 ? 0.4869 0.5276 0.3694 0.0055 0.0043 -0.0415 34 VAL D N 3601 C CA . VAL C 34 ? 0.4899 0.5301 0.3753 0.0022 0.0045 -0.0389 34 VAL D CA 3602 C C . VAL C 34 ? 0.4899 0.5314 0.3727 -0.0033 0.0051 -0.0389 34 VAL D C 3603 O O . VAL C 34 ? 0.4946 0.5427 0.3744 -0.0053 0.0064 -0.0389 34 VAL D O 3604 C CB . VAL C 34 ? 0.4942 0.5439 0.3819 0.0040 0.0059 -0.0353 34 VAL D CB 3605 C CG1 . VAL C 34 ? 0.4930 0.5464 0.3823 -0.0002 0.0064 -0.0328 34 VAL D CG1 3606 C CG2 . VAL C 34 ? 0.5007 0.5459 0.3912 0.0102 0.0060 -0.0343 34 VAL D CG2 3607 N N . SER C 35 ? 0.4833 0.5182 0.3672 -0.0057 0.0044 -0.0387 35 SER D N 3608 C CA . SER C 35 ? 0.4758 0.5095 0.3568 -0.0101 0.0055 -0.0386 35 SER D CA 3609 C C . SER C 35 ? 0.4773 0.5129 0.3597 -0.0129 0.0064 -0.0367 35 SER D C 3610 O O . SER C 35 ? 0.4827 0.5185 0.3690 -0.0113 0.0055 -0.0351 35 SER D O 3611 C CB . SER C 35 ? 0.4659 0.4920 0.3462 -0.0098 0.0045 -0.0396 35 SER D CB 3612 O OG . SER C 35 ? 0.4594 0.4858 0.3366 -0.0085 0.0045 -0.0413 35 SER D OG 3613 N N . TRP C 36 ? 0.4745 0.5111 0.3532 -0.0172 0.0083 -0.0371 36 TRP D N 3614 C CA . TRP C 36 ? 0.4744 0.5109 0.3529 -0.0201 0.0092 -0.0364 36 TRP D CA 3615 C C . TRP C 36 ? 0.4775 0.5046 0.3540 -0.0204 0.0098 -0.0366 36 TRP D C 3616 O O . TRP C 36 ? 0.4719 0.4942 0.3447 -0.0212 0.0111 -0.0374 36 TRP D O 3617 C CB . TRP C 36 ? 0.4765 0.5192 0.3515 -0.0251 0.0113 -0.0375 36 TRP D CB 3618 C CG . TRP C 36 ? 0.4750 0.5303 0.3524 -0.0247 0.0108 -0.0365 36 TRP D CG 3619 C CD1 . TRP C 36 ? 0.4766 0.5392 0.3534 -0.0245 0.0110 -0.0365 36 TRP D CD1 3620 C CD2 . TRP C 36 ? 0.4714 0.5352 0.3521 -0.0237 0.0103 -0.0345 36 TRP D CD2 3621 N NE1 . TRP C 36 ? 0.4787 0.5542 0.3582 -0.0232 0.0108 -0.0346 36 TRP D NE1 3622 C CE2 . TRP C 36 ? 0.4718 0.5482 0.3538 -0.0227 0.0104 -0.0333 36 TRP D CE2 3623 C CE3 . TRP C 36 ? 0.4722 0.5356 0.3551 -0.0231 0.0100 -0.0332 36 TRP D CE3 3624 C CZ2 . TRP C 36 ? 0.4696 0.5582 0.3548 -0.0208 0.0103 -0.0304 36 TRP D CZ2 3625 C CZ3 . TRP C 36 ? 0.4726 0.5479 0.3588 -0.0215 0.0099 -0.0304 36 TRP D CZ3 3626 C CH2 . TRP C 36 ? 0.4683 0.5561 0.3556 -0.0203 0.0101 -0.0290 36 TRP D CH2 3627 N N . LEU C 37 ? 0.4869 0.5124 0.3661 -0.0191 0.0090 -0.0351 37 LEU D N 3628 C CA . LEU C 37 ? 0.5021 0.5211 0.3791 -0.0192 0.0101 -0.0346 37 LEU D CA 3629 C C . LEU C 37 ? 0.5120 0.5331 0.3876 -0.0213 0.0117 -0.0345 37 LEU D C 3630 O O . LEU C 37 ? 0.5166 0.5455 0.3948 -0.0221 0.0111 -0.0341 37 LEU D O 3631 C CB . LEU C 37 ? 0.5004 0.5174 0.3817 -0.0160 0.0079 -0.0327 37 LEU D CB 3632 C CG . LEU C 37 ? 0.5013 0.5176 0.3857 -0.0139 0.0054 -0.0331 37 LEU D CG 3633 C CD1 . LEU C 37 ? 0.5076 0.5218 0.3945 -0.0125 0.0039 -0.0315 37 LEU D CD1 3634 C CD2 . LEU C 37 ? 0.5042 0.5193 0.3850 -0.0136 0.0059 -0.0351 37 LEU D CD2 3635 N N . ARG C 38 ? 0.5263 0.5410 0.3978 -0.0217 0.0139 -0.0349 38 ARG D N 3636 C CA . ARG C 38 ? 0.5365 0.5525 0.4065 -0.0226 0.0152 -0.0350 38 ARG D CA 3637 C C . ARG C 38 ? 0.5366 0.5468 0.4055 -0.0193 0.0162 -0.0331 38 ARG D C 3638 O O . ARG C 38 ? 0.5288 0.5329 0.3960 -0.0174 0.0169 -0.0324 38 ARG D O 3639 C CB . ARG C 38 ? 0.5466 0.5611 0.4104 -0.0275 0.0181 -0.0386 38 ARG D CB 3640 C CG . ARG C 38 ? 0.5595 0.5623 0.4170 -0.0286 0.0213 -0.0402 38 ARG D CG 3641 C CD . ARG C 38 ? 0.5717 0.5712 0.4227 -0.0343 0.0245 -0.0442 38 ARG D CD 3642 N NE . ARG C 38 ? 0.5881 0.5742 0.4329 -0.0353 0.0284 -0.0452 38 ARG D NE 3643 C CZ . ARG C 38 ? 0.5967 0.5747 0.4346 -0.0402 0.0322 -0.0489 38 ARG D CZ 3644 N NH1 . ARG C 38 ? 0.5965 0.5798 0.4325 -0.0448 0.0323 -0.0528 38 ARG D NH1 3645 N NH2 . ARG C 38 ? 0.6044 0.5688 0.4370 -0.0405 0.0361 -0.0488 38 ARG D NH2 3646 N N . GLN C 39 ? 0.5544 0.5683 0.4243 -0.0183 0.0164 -0.0319 39 GLN D N 3647 C CA . GLN C 39 ? 0.5714 0.5815 0.4395 -0.0148 0.0179 -0.0299 39 GLN D CA 3648 C C . GLN C 39 ? 0.5936 0.6026 0.4559 -0.0159 0.0209 -0.0324 39 GLN D C 3649 O O . GLN C 39 ? 0.5841 0.6016 0.4489 -0.0159 0.0200 -0.0316 39 GLN D O 3650 C CB . GLN C 39 ? 0.5651 0.5819 0.4407 -0.0119 0.0149 -0.0255 39 GLN D CB 3651 C CG . GLN C 39 ? 0.5727 0.5887 0.4475 -0.0080 0.0161 -0.0225 39 GLN D CG 3652 C CD . GLN C 39 ? 0.5723 0.5951 0.4550 -0.0064 0.0129 -0.0179 39 GLN D CD 3653 O OE1 . GLN C 39 ? 0.5849 0.6119 0.4737 -0.0081 0.0101 -0.0171 39 GLN D OE1 3654 N NE2 . GLN C 39 ? 0.5644 0.5882 0.4470 -0.0030 0.0135 -0.0148 39 GLN D NE2 3655 N N . PRO C 40 ? 0.6286 0.6270 0.4830 -0.0168 0.0248 -0.0353 40 PRO D N 3656 C CA . PRO C 40 ? 0.6556 0.6504 0.5032 -0.0178 0.0281 -0.0387 40 PRO D CA 3657 C C . PRO C 40 ? 0.6771 0.6747 0.5250 -0.0125 0.0288 -0.0358 40 PRO D C 3658 O O . PRO C 40 ? 0.6669 0.6677 0.5197 -0.0080 0.0271 -0.0308 40 PRO D O 3659 C CB . PRO C 40 ? 0.6618 0.6414 0.5012 -0.0190 0.0326 -0.0415 40 PRO D CB 3660 C CG . PRO C 40 ? 0.6559 0.6352 0.4982 -0.0212 0.0309 -0.0407 40 PRO D CG 3661 C CD . PRO C 40 ? 0.6404 0.6290 0.4912 -0.0174 0.0266 -0.0361 40 PRO D CD 3662 N N . SER C 41 ? 0.7146 0.7118 0.5568 -0.0133 0.0312 -0.0393 41 SER D N 3663 C CA . SER C 41 ? 0.7410 0.7422 0.5827 -0.0079 0.0323 -0.0369 41 SER D CA 3664 C C . SER C 41 ? 0.7604 0.7512 0.5978 -0.0018 0.0356 -0.0344 41 SER D C 3665 O O . SER C 41 ? 0.7741 0.7504 0.6036 -0.0021 0.0397 -0.0375 41 SER D O 3666 C CB . SER C 41 ? 0.7508 0.7539 0.5861 -0.0103 0.0344 -0.0423 41 SER D CB 3667 O OG . SER C 41 ? 0.7470 0.7639 0.5874 -0.0147 0.0310 -0.0429 41 SER D OG 3668 N N . GLY C 42 ? 0.7557 0.7545 0.5986 0.0036 0.0340 -0.0282 42 GLY D N 3669 C CA . GLY C 42 ? 0.7542 0.7478 0.5947 0.0102 0.0365 -0.0242 42 GLY D CA 3670 C C . GLY C 42 ? 0.7579 0.7436 0.5983 0.0100 0.0368 -0.0233 42 GLY D C 3671 O O . GLY C 42 ? 0.7691 0.7441 0.6029 0.0141 0.0412 -0.0228 42 GLY D O 3672 N N . LYS C 43 ? 0.7453 0.7362 0.5925 0.0057 0.0325 -0.0229 43 LYS D N 3673 C CA . LYS C 43 ? 0.7315 0.7172 0.5791 0.0052 0.0322 -0.0222 43 LYS D CA 3674 C C . LYS C 43 ? 0.6870 0.6829 0.5441 0.0033 0.0267 -0.0198 43 LYS D C 3675 O O . LYS C 43 ? 0.6548 0.6597 0.5181 0.0014 0.0233 -0.0191 43 LYS D O 3676 C CB . LYS C 43 ? 0.7524 0.7271 0.5941 0.0003 0.0346 -0.0274 43 LYS D CB 3677 C CG . LYS C 43 ? 0.7798 0.7399 0.6113 0.0021 0.0409 -0.0298 43 LYS D CG 3678 C CD . LYS C 43 ? 0.8020 0.7508 0.6286 -0.0030 0.0434 -0.0336 43 LYS D CD 3679 C CE . LYS C 43 ? 0.8355 0.7681 0.6515 -0.0031 0.0499 -0.0373 43 LYS D CE 3680 N NZ . LYS C 43 ? 0.8534 0.7751 0.6650 -0.0100 0.0523 -0.0414 43 LYS D NZ 3681 N N . GLY C 44 ? 0.6643 0.6582 0.5219 0.0042 0.0262 -0.0185 44 GLY D N 3682 C CA . GLY C 44 ? 0.6433 0.6446 0.5083 0.0023 0.0214 -0.0175 44 GLY D CA 3683 C C . GLY C 44 ? 0.6205 0.6196 0.4861 -0.0026 0.0199 -0.0215 44 GLY D C 3684 O O . GLY C 44 ? 0.6258 0.6177 0.4857 -0.0048 0.0228 -0.0247 44 GLY D O 3685 N N . PRO C 45 ? 0.5904 0.5955 0.4625 -0.0045 0.0157 -0.0215 45 PRO D N 3686 C CA . PRO C 45 ? 0.5843 0.5883 0.4566 -0.0081 0.0146 -0.0249 45 PRO D CA 3687 C C . PRO C 45 ? 0.5846 0.5827 0.4519 -0.0082 0.0167 -0.0264 45 PRO D C 3688 O O . PRO C 45 ? 0.5842 0.5807 0.4497 -0.0050 0.0178 -0.0242 45 PRO D O 3689 C CB . PRO C 45 ? 0.5747 0.5848 0.4544 -0.0087 0.0102 -0.0242 45 PRO D CB 3690 C CG . PRO C 45 ? 0.5719 0.5870 0.4560 -0.0073 0.0089 -0.0208 45 PRO D CG 3691 C CD . PRO C 45 ? 0.5784 0.5915 0.4578 -0.0039 0.0120 -0.0187 45 PRO D CD 3692 N N . GLU C 46 ? 0.5797 0.5759 0.4449 -0.0118 0.0174 -0.0293 46 GLU D N 3693 C CA . GLU C 46 ? 0.5853 0.5780 0.4472 -0.0126 0.0188 -0.0304 46 GLU D CA 3694 C C . GLU C 46 ? 0.5600 0.5580 0.4248 -0.0155 0.0163 -0.0326 46 GLU D C 3695 O O . GLU C 46 ? 0.5535 0.5556 0.4205 -0.0177 0.0153 -0.0338 46 GLU D O 3696 C CB . GLU C 46 ? 0.6089 0.5923 0.4636 -0.0142 0.0237 -0.0312 46 GLU D CB 3697 C CG . GLU C 46 ? 0.6344 0.6160 0.4867 -0.0181 0.0253 -0.0340 46 GLU D CG 3698 C CD . GLU C 46 ? 0.6610 0.6318 0.5056 -0.0211 0.0303 -0.0360 46 GLU D CD 3699 O OE1 . GLU C 46 ? 0.6649 0.6346 0.5082 -0.0247 0.0311 -0.0371 46 GLU D OE1 3700 O OE2 . GLU C 46 ? 0.6905 0.6536 0.5304 -0.0200 0.0337 -0.0364 46 GLU D OE2 3701 N N . TRP C 47 ? 0.5384 0.5373 0.4030 -0.0146 0.0157 -0.0328 47 TRP D N 3702 C CA . TRP C 47 ? 0.5201 0.5240 0.3863 -0.0163 0.0141 -0.0347 47 TRP D CA 3703 C C . TRP C 47 ? 0.5152 0.5170 0.3768 -0.0203 0.0172 -0.0358 47 TRP D C 3704 O O . TRP C 47 ? 0.5218 0.5170 0.3788 -0.0207 0.0205 -0.0349 47 TRP D O 3705 C CB . TRP C 47 ? 0.5134 0.5198 0.3805 -0.0134 0.0122 -0.0347 47 TRP D CB 3706 C CG . TRP C 47 ? 0.5062 0.5175 0.3739 -0.0139 0.0111 -0.0365 47 TRP D CG 3707 C CD1 . TRP C 47 ? 0.5007 0.5165 0.3720 -0.0134 0.0086 -0.0379 47 TRP D CD1 3708 C CD2 . TRP C 47 ? 0.5049 0.5173 0.3691 -0.0143 0.0129 -0.0364 47 TRP D CD2 3709 N NE1 . TRP C 47 ? 0.5018 0.5221 0.3719 -0.0131 0.0087 -0.0390 47 TRP D NE1 3710 C CE2 . TRP C 47 ? 0.5017 0.5207 0.3677 -0.0140 0.0112 -0.0381 47 TRP D CE2 3711 C CE3 . TRP C 47 ? 0.5106 0.5192 0.3704 -0.0146 0.0162 -0.0345 47 TRP D CE3 3712 C CZ2 . TRP C 47 ? 0.5078 0.5311 0.3714 -0.0140 0.0123 -0.0380 47 TRP D CZ2 3713 C CZ3 . TRP C 47 ? 0.5135 0.5256 0.3713 -0.0152 0.0174 -0.0341 47 TRP D CZ3 3714 C CH2 . TRP C 47 ? 0.5140 0.5342 0.3738 -0.0150 0.0153 -0.0360 47 TRP D CH2 3715 N N . MET C 48 ? 0.5014 0.5091 0.3644 -0.0233 0.0164 -0.0374 48 MET D N 3716 C CA . MET C 48 ? 0.4988 0.5071 0.3582 -0.0286 0.0190 -0.0387 48 MET D CA 3717 C C . MET C 48 ? 0.4902 0.5045 0.3499 -0.0289 0.0185 -0.0386 48 MET D C 3718 O O . MET C 48 ? 0.4923 0.5046 0.3484 -0.0323 0.0212 -0.0385 48 MET D O 3719 C CB . MET C 48 ? 0.4934 0.5078 0.3539 -0.0321 0.0186 -0.0403 48 MET D CB 3720 C CG . MET C 48 ? 0.4967 0.5065 0.3564 -0.0317 0.0193 -0.0405 48 MET D CG 3721 S SD . MET C 48 ? 0.4964 0.5164 0.3577 -0.0351 0.0185 -0.0420 48 MET D SD 3722 C CE . MET C 48 ? 0.5090 0.5268 0.3635 -0.0434 0.0221 -0.0457 48 MET D CE 3723 N N . GLY C 49 ? 0.4827 0.5040 0.3465 -0.0254 0.0155 -0.0386 49 GLY D N 3724 C CA . GLY C 49 ? 0.4830 0.5112 0.3469 -0.0245 0.0150 -0.0386 49 GLY D CA 3725 C C . GLY C 49 ? 0.4759 0.5102 0.3438 -0.0201 0.0120 -0.0391 49 GLY D C 3726 O O . GLY C 49 ? 0.4691 0.5016 0.3403 -0.0181 0.0102 -0.0391 49 GLY D O 3727 N N . ARG C 50 ? 0.4790 0.5204 0.3468 -0.0184 0.0117 -0.0392 50 ARG D N 3728 C CA . ARG C 50 ? 0.4821 0.5277 0.3526 -0.0132 0.0095 -0.0399 50 ARG D CA 3729 C C . ARG C 50 ? 0.4825 0.5397 0.3530 -0.0129 0.0102 -0.0392 50 ARG D C 3730 O O . ARG C 50 ? 0.4795 0.5420 0.3476 -0.0161 0.0119 -0.0384 50 ARG D O 3731 C CB . ARG C 50 ? 0.4816 0.5237 0.3511 -0.0091 0.0082 -0.0414 50 ARG D CB 3732 C CG . ARG C 50 ? 0.4847 0.5286 0.3559 -0.0037 0.0063 -0.0433 50 ARG D CG 3733 C CD . ARG C 50 ? 0.4936 0.5340 0.3635 -0.0005 0.0047 -0.0458 50 ARG D CD 3734 N NE . ARG C 50 ? 0.4948 0.5274 0.3667 -0.0012 0.0030 -0.0465 50 ARG D NE 3735 C CZ . ARG C 50 ? 0.5056 0.5355 0.3762 -0.0024 0.0030 -0.0460 50 ARG D CZ 3736 N NH1 . ARG C 50 ? 0.5096 0.5421 0.3766 -0.0028 0.0048 -0.0446 50 ARG D NH1 3737 N NH2 . ARG C 50 ? 0.5152 0.5401 0.3882 -0.0030 0.0014 -0.0463 50 ARG D NH2 3738 N N . MET C 51 ? 0.4922 0.5537 0.3656 -0.0091 0.0091 -0.0389 51 MET D N 3739 C CA . MET C 51 ? 0.5109 0.5840 0.3846 -0.0059 0.0096 -0.0379 51 MET D CA 3740 C C . MET C 51 ? 0.5050 0.5739 0.3783 0.0009 0.0084 -0.0399 51 MET D C 3741 O O . MET C 51 ? 0.4927 0.5549 0.3682 0.0048 0.0072 -0.0408 51 MET D O 3742 C CB . MET C 51 ? 0.5353 0.6158 0.4120 -0.0052 0.0098 -0.0357 51 MET D CB 3743 C CG . MET C 51 ? 0.5510 0.6445 0.4284 -0.0001 0.0106 -0.0337 51 MET D CG 3744 S SD . MET C 51 ? 0.5938 0.7015 0.4681 -0.0026 0.0121 -0.0329 51 MET D SD 3745 C CE . MET C 51 ? 0.5826 0.6955 0.4563 -0.0137 0.0131 -0.0323 51 MET D CE 3746 N N . TRP C 52 ? 0.5040 0.5765 0.3743 0.0022 0.0088 -0.0407 52 TRP D N 3747 C CA . TRP C 52 ? 0.5111 0.5802 0.3799 0.0085 0.0077 -0.0436 52 TRP D CA 3748 C C . TRP C 52 ? 0.5254 0.5987 0.3952 0.0152 0.0080 -0.0436 52 TRP D C 3749 O O . TRP C 52 ? 0.5278 0.6122 0.3985 0.0156 0.0095 -0.0404 52 TRP D O 3750 C CB . TRP C 52 ? 0.5073 0.5821 0.3725 0.0089 0.0084 -0.0438 52 TRP D CB 3751 C CG . TRP C 52 ? 0.5044 0.5735 0.3680 0.0051 0.0084 -0.0440 52 TRP D CG 3752 C CD1 . TRP C 52 ? 0.5032 0.5746 0.3655 -0.0002 0.0103 -0.0412 52 TRP D CD1 3753 C CD2 . TRP C 52 ? 0.5074 0.5683 0.3702 0.0069 0.0066 -0.0468 52 TRP D CD2 3754 N NE1 . TRP C 52 ? 0.5049 0.5696 0.3656 -0.0008 0.0103 -0.0414 52 TRP D NE1 3755 C CE2 . TRP C 52 ? 0.5057 0.5653 0.3668 0.0034 0.0078 -0.0448 52 TRP D CE2 3756 C CE3 . TRP C 52 ? 0.5104 0.5652 0.3739 0.0108 0.0043 -0.0508 52 TRP D CE3 3757 C CZ2 . TRP C 52 ? 0.5101 0.5648 0.3704 0.0043 0.0066 -0.0460 52 TRP D CZ2 3758 C CZ3 . TRP C 52 ? 0.5106 0.5605 0.3732 0.0105 0.0027 -0.0529 52 TRP D CZ3 3759 C CH2 . TRP C 52 ? 0.5109 0.5620 0.3720 0.0076 0.0038 -0.0502 52 TRP D CH2 3760 N N . ASP C 53 ? 0.5362 0.6009 0.4054 0.0205 0.0068 -0.0471 53 ASP D N 3761 C CA . ASP C 53 ? 0.5511 0.6171 0.4198 0.0282 0.0077 -0.0477 53 ASP D CA 3762 C C . ASP C 53 ? 0.5525 0.6339 0.4187 0.0318 0.0096 -0.0456 53 ASP D C 3763 O O . ASP C 53 ? 0.5642 0.6537 0.4314 0.0360 0.0113 -0.0426 53 ASP D O 3764 C CB . ASP C 53 ? 0.5639 0.6173 0.4308 0.0326 0.0064 -0.0533 53 ASP D CB 3765 C CG . ASP C 53 ? 0.5696 0.6228 0.4328 0.0314 0.0049 -0.0573 53 ASP D CG 3766 O OD1 . ASP C 53 ? 0.5753 0.6347 0.4380 0.0267 0.0049 -0.0552 53 ASP D OD1 3767 O OD2 . ASP C 53 ? 0.5828 0.6292 0.4434 0.0353 0.0039 -0.0626 53 ASP D OD2 3768 N N . ASP C 54 ? 0.5489 0.6357 0.4120 0.0301 0.0095 -0.0465 54 ASP D N 3769 C CA . ASP C 54 ? 0.5488 0.6509 0.4095 0.0333 0.0111 -0.0445 54 ASP D CA 3770 C C . ASP C 54 ? 0.5438 0.6607 0.4063 0.0280 0.0127 -0.0391 54 ASP D C 3771 O O . ASP C 54 ? 0.5615 0.6927 0.4224 0.0292 0.0140 -0.0367 54 ASP D O 3772 C CB . ASP C 54 ? 0.5478 0.6510 0.4047 0.0332 0.0105 -0.0468 54 ASP D CB 3773 C CG . ASP C 54 ? 0.5447 0.6460 0.4023 0.0246 0.0103 -0.0451 54 ASP D CG 3774 O OD1 . ASP C 54 ? 0.5307 0.6363 0.3906 0.0183 0.0113 -0.0413 54 ASP D OD1 3775 O OD2 . ASP C 54 ? 0.5544 0.6501 0.4101 0.0243 0.0092 -0.0475 54 ASP D OD2 3776 N N . GLY C 55 ? 0.5310 0.6454 0.3967 0.0217 0.0125 -0.0372 55 GLY D N 3777 C CA . GLY C 55 ? 0.5229 0.6516 0.3903 0.0159 0.0138 -0.0330 55 GLY D CA 3778 C C . GLY C 55 ? 0.5168 0.6445 0.3837 0.0056 0.0141 -0.0324 55 GLY D C 3779 O O . GLY C 55 ? 0.5304 0.6649 0.3989 -0.0008 0.0147 -0.0304 55 GLY D O 3780 N N . GLY C 56 ? 0.5033 0.6227 0.3679 0.0043 0.0138 -0.0341 56 GLY D N 3781 C CA . GLY C 56 ? 0.4938 0.6097 0.3576 -0.0044 0.0148 -0.0332 56 GLY D CA 3782 C C . GLY C 56 ? 0.4869 0.5885 0.3516 -0.0085 0.0141 -0.0347 56 GLY D C 3783 O O . GLY C 56 ? 0.4888 0.5846 0.3556 -0.0056 0.0126 -0.0361 56 GLY D O 3784 N N . THR C 57 ? 0.4787 0.5744 0.3418 -0.0151 0.0155 -0.0341 57 THR D N 3785 C CA . THR C 57 ? 0.4725 0.5553 0.3357 -0.0191 0.0155 -0.0352 57 THR D CA 3786 C C . THR C 57 ? 0.4707 0.5432 0.3313 -0.0204 0.0167 -0.0348 57 THR D C 3787 O O . THR C 57 ? 0.4715 0.5476 0.3301 -0.0210 0.0184 -0.0330 57 THR D O 3788 C CB . THR C 57 ? 0.4764 0.5624 0.3398 -0.0273 0.0170 -0.0346 57 THR D CB 3789 O OG1 . THR C 57 ? 0.4804 0.5737 0.3419 -0.0331 0.0192 -0.0327 57 THR D OG1 3790 C CG2 . THR C 57 ? 0.4755 0.5716 0.3418 -0.0257 0.0157 -0.0345 57 THR D CG2 3791 N N . VAL C 58 ? 0.4729 0.5335 0.3335 -0.0205 0.0162 -0.0360 58 VAL D N 3792 C CA . VAL C 58 ? 0.4813 0.5319 0.3393 -0.0220 0.0182 -0.0348 58 VAL D CA 3793 C C . VAL C 58 ? 0.4883 0.5291 0.3461 -0.0258 0.0190 -0.0355 58 VAL D C 3794 O O . VAL C 58 ? 0.4873 0.5276 0.3477 -0.0245 0.0169 -0.0370 58 VAL D O 3795 C CB . VAL C 58 ? 0.4717 0.5198 0.3293 -0.0156 0.0167 -0.0351 58 VAL D CB 3796 C CG1 . VAL C 58 ? 0.4651 0.5097 0.3254 -0.0117 0.0134 -0.0378 58 VAL D CG1 3797 C CG2 . VAL C 58 ? 0.4712 0.5116 0.3260 -0.0164 0.0193 -0.0326 58 VAL D CG2 3798 N N . TYR C 59 ? 0.5043 0.5371 0.3589 -0.0300 0.0223 -0.0341 59 TYR D N 3799 C CA . TYR C 59 ? 0.5199 0.5429 0.3730 -0.0335 0.0239 -0.0350 59 TYR D CA 3800 C C . TYR C 59 ? 0.5327 0.5442 0.3834 -0.0305 0.0258 -0.0333 59 TYR D C 3801 O O . TYR C 59 ? 0.5423 0.5530 0.3914 -0.0280 0.0272 -0.0307 59 TYR D O 3802 C CB . TYR C 59 ? 0.5304 0.5529 0.3810 -0.0420 0.0269 -0.0355 59 TYR D CB 3803 C CG . TYR C 59 ? 0.5299 0.5668 0.3829 -0.0452 0.0252 -0.0367 59 TYR D CG 3804 C CD1 . TYR C 59 ? 0.5278 0.5694 0.3827 -0.0468 0.0235 -0.0388 59 TYR D CD1 3805 C CD2 . TYR C 59 ? 0.5308 0.5784 0.3843 -0.0461 0.0254 -0.0350 59 TYR D CD2 3806 C CE1 . TYR C 59 ? 0.5248 0.5816 0.3820 -0.0490 0.0222 -0.0391 59 TYR D CE1 3807 C CE2 . TYR C 59 ? 0.5312 0.5939 0.3869 -0.0484 0.0241 -0.0353 59 TYR D CE2 3808 C CZ . TYR C 59 ? 0.5300 0.5975 0.3876 -0.0497 0.0225 -0.0373 59 TYR D CZ 3809 O OH . TYR C 59 ? 0.5320 0.6163 0.3919 -0.0511 0.0214 -0.0368 59 TYR D OH 3810 N N . ASN C 60 ? 0.5433 0.5476 0.3938 -0.0301 0.0258 -0.0342 60 ASN D N 3811 C CA . ASN C 60 ? 0.5554 0.5480 0.4025 -0.0284 0.0289 -0.0324 60 ASN D CA 3812 C C . ASN C 60 ? 0.5856 0.5702 0.4278 -0.0338 0.0339 -0.0314 60 ASN D C 3813 O O . ASN C 60 ? 0.5983 0.5823 0.4393 -0.0405 0.0350 -0.0339 60 ASN D O 3814 C CB . ASN C 60 ? 0.5490 0.5372 0.3966 -0.0284 0.0282 -0.0341 60 ASN D CB 3815 C CG . ASN C 60 ? 0.5467 0.5228 0.3901 -0.0261 0.0319 -0.0323 60 ASN D CG 3816 O OD1 . ASN C 60 ? 0.5562 0.5233 0.3949 -0.0277 0.0364 -0.0308 60 ASN D OD1 3817 N ND2 . ASN C 60 ? 0.5315 0.5074 0.3768 -0.0223 0.0303 -0.0320 60 ASN D ND2 3818 N N . SER C 61 ? 0.6134 0.5925 0.4529 -0.0310 0.0371 -0.0276 61 SER D N 3819 C CA . SER C 61 ? 0.6393 0.6101 0.4745 -0.0358 0.0423 -0.0256 61 SER D CA 3820 C C . SER C 61 ? 0.6651 0.6215 0.4957 -0.0411 0.0464 -0.0278 61 SER D C 3821 O O . SER C 61 ? 0.6799 0.6320 0.5079 -0.0490 0.0493 -0.0291 61 SER D O 3822 C CB . SER C 61 ? 0.6477 0.6151 0.4811 -0.0302 0.0454 -0.0199 61 SER D CB 3823 O OG . SER C 61 ? 0.6584 0.6157 0.4892 -0.0248 0.0478 -0.0179 61 SER D OG 3824 N N . GLY C 62 ? 0.6810 0.6306 0.5105 -0.0369 0.0466 -0.0285 62 GLY D N 3825 C CA . GLY C 62 ? 0.7086 0.6450 0.5332 -0.0408 0.0501 -0.0315 62 GLY D CA 3826 C C . GLY C 62 ? 0.7210 0.6625 0.5462 -0.0490 0.0481 -0.0373 62 GLY D C 3827 O O . GLY C 62 ? 0.7426 0.6734 0.5628 -0.0549 0.0517 -0.0406 62 GLY D O 3828 N N . LEU C 63 ? 0.7183 0.6761 0.5492 -0.0490 0.0426 -0.0385 63 LEU D N 3829 C CA . LEU C 63 ? 0.7252 0.6918 0.5573 -0.0558 0.0405 -0.0430 63 LEU D CA 3830 C C . LEU C 63 ? 0.7284 0.7070 0.5627 -0.0617 0.0394 -0.0432 63 LEU D C 3831 O O . LEU C 63 ? 0.7211 0.7097 0.5566 -0.0675 0.0377 -0.0463 63 LEU D O 3832 C CB . LEU C 63 ? 0.7211 0.6981 0.5583 -0.0509 0.0356 -0.0436 63 LEU D CB 3833 C CG . LEU C 63 ? 0.7198 0.6888 0.5554 -0.0467 0.0363 -0.0441 63 LEU D CG 3834 C CD1 . LEU C 63 ? 0.7069 0.6863 0.5486 -0.0412 0.0315 -0.0431 63 LEU D CD1 3835 C CD2 . LEU C 63 ? 0.7276 0.6908 0.5582 -0.0530 0.0389 -0.0487 63 LEU D CD2 3836 N N . LYS C 64 ? 0.7324 0.7116 0.5671 -0.0603 0.0405 -0.0394 64 LYS D N 3837 C CA . LYS C 64 ? 0.7383 0.7320 0.5759 -0.0637 0.0389 -0.0385 64 LYS D CA 3838 C C . LYS C 64 ? 0.7395 0.7368 0.5753 -0.0750 0.0405 -0.0415 64 LYS D C 3839 O O . LYS C 64 ? 0.7258 0.7399 0.5649 -0.0778 0.0377 -0.0423 64 LYS D O 3840 C CB . LYS C 64 ? 0.7518 0.7444 0.5893 -0.0604 0.0406 -0.0337 64 LYS D CB 3841 C CG . LYS C 64 ? 0.7547 0.7640 0.5954 -0.0617 0.0387 -0.0321 64 LYS D CG 3842 C CD . LYS C 64 ? 0.7713 0.7797 0.6112 -0.0587 0.0410 -0.0272 64 LYS D CD 3843 C CE . LYS C 64 ? 0.7767 0.8021 0.6193 -0.0608 0.0398 -0.0254 64 LYS D CE 3844 N NZ . LYS C 64 ? 0.7737 0.8140 0.6204 -0.0544 0.0348 -0.0267 64 LYS D NZ 3845 N N . SER C 65 ? 0.7573 0.7391 0.5876 -0.0813 0.0452 -0.0430 65 SER D N 3846 C CA . SER C 65 ? 0.7745 0.7577 0.6022 -0.0936 0.0472 -0.0466 65 SER D CA 3847 C C . SER C 65 ? 0.7705 0.7629 0.5986 -0.0980 0.0446 -0.0521 65 SER D C 3848 O O . SER C 65 ? 0.7640 0.7665 0.5918 -0.1078 0.0444 -0.0549 65 SER D O 3849 C CB . SER C 65 ? 0.7969 0.7575 0.6179 -0.0989 0.0536 -0.0472 65 SER D CB 3850 O OG . SER C 65 ? 0.8069 0.7518 0.6241 -0.0933 0.0552 -0.0488 65 SER D OG 3851 N N . ARG C 66 ? 0.7684 0.7588 0.5972 -0.0910 0.0425 -0.0533 66 ARG D N 3852 C CA . ARG C 66 ? 0.7694 0.7699 0.5988 -0.0936 0.0399 -0.0577 66 ARG D CA 3853 C C . ARG C 66 ? 0.7432 0.7657 0.5795 -0.0890 0.0348 -0.0558 66 ARG D C 3854 O O . ARG C 66 ? 0.7299 0.7651 0.5672 -0.0922 0.0328 -0.0585 66 ARG D O 3855 C CB . ARG C 66 ? 0.7847 0.7722 0.6111 -0.0886 0.0408 -0.0597 66 ARG D CB 3856 C CG . ARG C 66 ? 0.8157 0.7809 0.6342 -0.0928 0.0465 -0.0625 66 ARG D CG 3857 C CD . ARG C 66 ? 0.8290 0.7827 0.6450 -0.0852 0.0473 -0.0631 66 ARG D CD 3858 N NE . ARG C 66 ? 0.8328 0.7993 0.6507 -0.0851 0.0439 -0.0663 66 ARG D NE 3859 C CZ . ARG C 66 ? 0.8355 0.7997 0.6535 -0.0781 0.0431 -0.0661 66 ARG D CZ 3860 N NH1 . ARG C 66 ? 0.8368 0.7867 0.6529 -0.0704 0.0454 -0.0632 66 ARG D NH1 3861 N NH2 . ARG C 66 ? 0.8320 0.8103 0.6523 -0.0786 0.0400 -0.0684 66 ARG D NH2 3862 N N . LEU C 67 ? 0.7235 0.7503 0.5640 -0.0813 0.0329 -0.0511 67 LEU D N 3863 C CA . LEU C 67 ? 0.6990 0.7414 0.5454 -0.0744 0.0286 -0.0491 67 LEU D CA 3864 C C . LEU C 67 ? 0.6859 0.7455 0.5357 -0.0750 0.0271 -0.0467 67 LEU D C 3865 O O . LEU C 67 ? 0.7112 0.7708 0.5597 -0.0788 0.0290 -0.0454 67 LEU D O 3866 C CB . LEU C 67 ? 0.6957 0.7302 0.5444 -0.0641 0.0272 -0.0464 67 LEU D CB 3867 C CG . LEU C 67 ? 0.7020 0.7233 0.5489 -0.0606 0.0278 -0.0474 67 LEU D CG 3868 C CD1 . LEU C 67 ? 0.6999 0.7171 0.5496 -0.0515 0.0261 -0.0442 67 LEU D CD1 3869 C CD2 . LEU C 67 ? 0.7020 0.7304 0.5504 -0.0611 0.0260 -0.0495 67 LEU D CD2 3870 N N . SER C 68 ? 0.6639 0.7386 0.5181 -0.0705 0.0240 -0.0457 68 SER D N 3871 C CA . SER C 68 ? 0.6566 0.7463 0.5145 -0.0664 0.0223 -0.0425 68 SER D CA 3872 C C . SER C 68 ? 0.6341 0.7297 0.4965 -0.0572 0.0194 -0.0409 68 SER D C 3873 O O . SER C 68 ? 0.6182 0.7151 0.4815 -0.0571 0.0186 -0.0420 68 SER D O 3874 C CB . SER C 68 ? 0.6691 0.7768 0.5271 -0.0746 0.0228 -0.0426 68 SER D CB 3875 O OG . SER C 68 ? 0.6789 0.7996 0.5382 -0.0768 0.0215 -0.0440 68 SER D OG 3876 N N . ILE C 69 ? 0.6177 0.7159 0.4825 -0.0495 0.0182 -0.0384 69 ILE D N 3877 C CA . ILE C 69 ? 0.6080 0.7091 0.4767 -0.0406 0.0159 -0.0369 69 ILE D CA 3878 C C . ILE C 69 ? 0.6028 0.7207 0.4736 -0.0366 0.0154 -0.0343 69 ILE D C 3879 O O . ILE C 69 ? 0.6058 0.7281 0.4752 -0.0375 0.0163 -0.0335 69 ILE D O 3880 C CB . ILE C 69 ? 0.6078 0.6935 0.4768 -0.0340 0.0150 -0.0371 69 ILE D CB 3881 C CG1 . ILE C 69 ? 0.6181 0.6890 0.4850 -0.0369 0.0157 -0.0389 69 ILE D CG1 3882 C CG2 . ILE C 69 ? 0.6035 0.6906 0.4765 -0.0260 0.0129 -0.0359 69 ILE D CG2 3883 C CD1 . ILE C 69 ? 0.6180 0.6758 0.4840 -0.0328 0.0154 -0.0389 69 ILE D CD1 3884 N N . SER C 70 ? 0.6023 0.7297 0.4764 -0.0317 0.0144 -0.0324 70 SER D N 3885 C CA . SER C 70 ? 0.6145 0.7589 0.4904 -0.0267 0.0145 -0.0293 70 SER D CA 3886 C C . SER C 70 ? 0.6184 0.7634 0.4979 -0.0174 0.0137 -0.0270 70 SER D C 3887 O O . SER C 70 ? 0.6129 0.7471 0.4938 -0.0164 0.0129 -0.0276 70 SER D O 3888 C CB . SER C 70 ? 0.6213 0.7857 0.4971 -0.0340 0.0153 -0.0283 70 SER D CB 3889 O OG . SER C 70 ? 0.6343 0.8033 0.5113 -0.0368 0.0149 -0.0286 70 SER D OG 3890 N N . ARG C 71 ? 0.6215 0.7788 0.5023 -0.0105 0.0142 -0.0239 71 ARG D N 3891 C CA . ARG C 71 ? 0.6269 0.7838 0.5108 -0.0008 0.0143 -0.0210 71 ARG D CA 3892 C C . ARG C 71 ? 0.6313 0.8088 0.5164 0.0051 0.0157 -0.0165 71 ARG D C 3893 O O . ARG C 71 ? 0.6314 0.8211 0.5148 0.0040 0.0164 -0.0159 71 ARG D O 3894 C CB . ARG C 71 ? 0.6362 0.7744 0.5195 0.0059 0.0137 -0.0231 71 ARG D CB 3895 C CG . ARG C 71 ? 0.6427 0.7830 0.5232 0.0095 0.0141 -0.0241 71 ARG D CG 3896 C CD . ARG C 71 ? 0.6530 0.7767 0.5328 0.0168 0.0135 -0.0267 71 ARG D CD 3897 N NE . ARG C 71 ? 0.6564 0.7843 0.5332 0.0216 0.0142 -0.0276 71 ARG D NE 3898 C CZ . ARG C 71 ? 0.6571 0.7729 0.5319 0.0275 0.0137 -0.0309 71 ARG D CZ 3899 N NH1 . ARG C 71 ? 0.6644 0.7629 0.5402 0.0286 0.0124 -0.0337 71 ARG D NH1 3900 N NH2 . ARG C 71 ? 0.6638 0.7861 0.5354 0.0319 0.0144 -0.0316 71 ARG D NH2 3901 N N . ASP C 72 ? 0.6418 0.8234 0.5299 0.0118 0.0165 -0.0126 72 ASP D N 3902 C CA . ASP C 72 ? 0.6581 0.8568 0.5474 0.0206 0.0184 -0.0073 72 ASP D CA 3903 C C . ASP C 72 ? 0.6700 0.8529 0.5605 0.0319 0.0194 -0.0061 72 ASP D C 3904 O O . ASP C 72 ? 0.6657 0.8416 0.5591 0.0346 0.0197 -0.0040 72 ASP D O 3905 C CB . ASP C 72 ? 0.6687 0.8894 0.5607 0.0188 0.0191 -0.0027 72 ASP D CB 3906 C CG . ASP C 72 ? 0.6776 0.9239 0.5701 0.0250 0.0211 0.0028 72 ASP D CG 3907 O OD1 . ASP C 72 ? 0.6871 0.9308 0.5789 0.0355 0.0227 0.0050 72 ASP D OD1 3908 O OD2 . ASP C 72 ? 0.6936 0.9633 0.5868 0.0192 0.0210 0.0050 72 ASP D OD2 3909 N N . THR C 73 ? 0.6914 0.8685 0.5793 0.0382 0.0201 -0.0076 73 THR D N 3910 C CA . THR C 73 ? 0.7061 0.8646 0.5938 0.0479 0.0211 -0.0082 73 THR D CA 3911 C C . THR C 73 ? 0.7157 0.8814 0.6061 0.0581 0.0241 -0.0016 73 THR D C 3912 O O . THR C 73 ? 0.7255 0.8747 0.6176 0.0631 0.0249 -0.0009 73 THR D O 3913 C CB . THR C 73 ? 0.7103 0.8626 0.5938 0.0526 0.0214 -0.0120 73 THR D CB 3914 O OG1 . THR C 73 ? 0.7095 0.8828 0.5916 0.0580 0.0235 -0.0081 73 THR D OG1 3915 C CG2 . THR C 73 ? 0.7082 0.8534 0.5893 0.0433 0.0188 -0.0177 73 THR D CG2 3916 N N . SER C 74 ? 0.7193 0.9100 0.6101 0.0609 0.0258 0.0037 74 SER D N 3917 C CA . SER C 74 ? 0.7346 0.9363 0.6280 0.0710 0.0291 0.0115 74 SER D CA 3918 C C . SER C 74 ? 0.7342 0.9341 0.6320 0.0685 0.0289 0.0147 74 SER D C 3919 O O . SER C 74 ? 0.7416 0.9398 0.6418 0.0779 0.0317 0.0206 74 SER D O 3920 C CB . SER C 74 ? 0.7361 0.9695 0.6293 0.0729 0.0306 0.0168 74 SER D CB 3921 O OG . SER C 74 ? 0.7368 0.9865 0.6308 0.0600 0.0280 0.0154 74 SER D OG 3922 N N . LYS C 75 ? 0.7393 0.9396 0.6379 0.0564 0.0258 0.0113 75 LYS D N 3923 C CA . LYS C 75 ? 0.7465 0.9444 0.6489 0.0532 0.0253 0.0134 75 LYS D CA 3924 C C . LYS C 75 ? 0.7340 0.9033 0.6372 0.0511 0.0238 0.0093 75 LYS D C 3925 O O . LYS C 75 ? 0.7247 0.8903 0.6314 0.0502 0.0238 0.0119 75 LYS D O 3926 C CB . LYS C 75 ? 0.7564 0.9712 0.6586 0.0413 0.0231 0.0117 75 LYS D CB 3927 C CG . LYS C 75 ? 0.7760 1.0212 0.6776 0.0405 0.0239 0.0150 75 LYS D CG 3928 C CD . LYS C 75 ? 0.7837 1.0438 0.6849 0.0278 0.0219 0.0124 75 LYS D CD 3929 C CE . LYS C 75 ? 0.7882 1.0813 0.6893 0.0263 0.0226 0.0161 75 LYS D CE 3930 N NZ . LYS C 75 ? 0.7960 1.1056 0.6976 0.0163 0.0212 0.0149 75 LYS D NZ 3931 N N . ASN C 76 ? 0.7102 0.8615 0.6104 0.0505 0.0227 0.0033 76 ASN D N 3932 C CA . ASN C 76 ? 0.6827 0.8097 0.5831 0.0463 0.0206 -0.0017 76 ASN D CA 3933 C C . ASN C 76 ? 0.6400 0.7691 0.5412 0.0355 0.0181 -0.0039 76 ASN D C 3934 O O . ASN C 76 ? 0.6282 0.7480 0.5323 0.0337 0.0174 -0.0031 76 ASN D O 3935 C CB . ASN C 76 ? 0.6965 0.8075 0.6002 0.0537 0.0224 0.0013 76 ASN D CB 3936 C CG . ASN C 76 ? 0.7099 0.8015 0.6109 0.0594 0.0231 -0.0026 76 ASN D CG 3937 O OD1 . ASN C 76 ? 0.7143 0.8036 0.6111 0.0578 0.0218 -0.0082 76 ASN D OD1 3938 N ND2 . ASN C 76 ? 0.7145 0.7916 0.6179 0.0658 0.0252 0.0000 76 ASN D ND2 3939 N N . GLN C 77 ? 0.5995 0.7407 0.4979 0.0285 0.0170 -0.0065 77 GLN D N 3940 C CA . GLN C 77 ? 0.5825 0.7265 0.4805 0.0185 0.0154 -0.0089 77 GLN D CA 3941 C C . GLN C 77 ? 0.5705 0.7085 0.4644 0.0110 0.0139 -0.0148 77 GLN D C 3942 O O . GLN C 77 ? 0.5668 0.7119 0.4582 0.0113 0.0144 -0.0156 77 GLN D O 3943 C CB . GLN C 77 ? 0.5705 0.7387 0.4694 0.0160 0.0162 -0.0052 77 GLN D CB 3944 C CG . GLN C 77 ? 0.5605 0.7353 0.4638 0.0220 0.0176 0.0011 77 GLN D CG 3945 C CD . GLN C 77 ? 0.5456 0.7446 0.4496 0.0178 0.0178 0.0037 77 GLN D CD 3946 O OE1 . GLN C 77 ? 0.5370 0.7548 0.4390 0.0143 0.0179 0.0033 77 GLN D OE1 3947 N NE2 . GLN C 77 ? 0.5363 0.7362 0.4431 0.0180 0.0178 0.0064 77 GLN D NE2 3948 N N . VAL C 78 ? 0.5606 0.6861 0.4538 0.0049 0.0125 -0.0182 78 VAL D N 3949 C CA . VAL C 78 ? 0.5532 0.6738 0.4424 -0.0028 0.0118 -0.0228 78 VAL D CA 3950 C C . VAL C 78 ? 0.5525 0.6803 0.4407 -0.0109 0.0118 -0.0237 78 VAL D C 3951 O O . VAL C 78 ? 0.5499 0.6803 0.4405 -0.0105 0.0118 -0.0218 78 VAL D O 3952 C CB . VAL C 78 ? 0.5436 0.6439 0.4321 -0.0027 0.0105 -0.0261 78 VAL D CB 3953 C CG1 . VAL C 78 ? 0.5394 0.6351 0.4236 -0.0088 0.0104 -0.0297 78 VAL D CG1 3954 C CG2 . VAL C 78 ? 0.5541 0.6466 0.4437 0.0051 0.0103 -0.0259 78 VAL D CG2 3955 N N . PHE C 79 ? 0.5525 0.6835 0.4369 -0.0183 0.0122 -0.0267 79 PHE D N 3956 C CA . PHE C 79 ? 0.5627 0.6993 0.4450 -0.0271 0.0126 -0.0288 79 PHE D CA 3957 C C . PHE C 79 ? 0.5734 0.6948 0.4514 -0.0335 0.0130 -0.0331 79 PHE D C 3958 O O . PHE C 79 ? 0.5841 0.6992 0.4604 -0.0332 0.0133 -0.0340 79 PHE D O 3959 C CB . PHE C 79 ? 0.5626 0.7212 0.4442 -0.0315 0.0134 -0.0279 79 PHE D CB 3960 C CG . PHE C 79 ? 0.5549 0.7309 0.4403 -0.0241 0.0135 -0.0227 79 PHE D CG 3961 C CD1 . PHE C 79 ? 0.5449 0.7300 0.4331 -0.0215 0.0135 -0.0198 79 PHE D CD1 3962 C CD2 . PHE C 79 ? 0.5569 0.7407 0.4429 -0.0188 0.0141 -0.0202 79 PHE D CD2 3963 C CE1 . PHE C 79 ? 0.5421 0.7431 0.4338 -0.0137 0.0143 -0.0139 79 PHE D CE1 3964 C CE2 . PHE C 79 ? 0.5508 0.7500 0.4398 -0.0106 0.0149 -0.0148 79 PHE D CE2 3965 C CZ . PHE C 79 ? 0.5479 0.7555 0.4399 -0.0080 0.0151 -0.0114 79 PHE D CZ 3966 N N . LEU C 80 ? 0.5872 0.7032 0.4632 -0.0385 0.0134 -0.0355 80 LEU D N 3967 C CA . LEU C 80 ? 0.6056 0.7086 0.4768 -0.0451 0.0147 -0.0394 80 LEU D CA 3968 C C . LEU C 80 ? 0.6211 0.7324 0.4887 -0.0544 0.0160 -0.0425 80 LEU D C 3969 O O . LEU C 80 ? 0.6061 0.7279 0.4748 -0.0553 0.0155 -0.0425 80 LEU D O 3970 C CB . LEU C 80 ? 0.6086 0.6951 0.4794 -0.0425 0.0146 -0.0401 80 LEU D CB 3971 C CG . LEU C 80 ? 0.6141 0.6858 0.4795 -0.0475 0.0166 -0.0434 80 LEU D CG 3972 C CD1 . LEU C 80 ? 0.6281 0.6939 0.4915 -0.0484 0.0176 -0.0434 80 LEU D CD1 3973 C CD2 . LEU C 80 ? 0.6141 0.6730 0.4799 -0.0432 0.0163 -0.0430 80 LEU D CD2 3974 N N . LYS C 81 ? 0.6505 0.7573 0.5140 -0.0616 0.0178 -0.0451 81 LYS D N 3975 C CA . LYS C 81 ? 0.6793 0.7889 0.5383 -0.0721 0.0194 -0.0495 81 LYS D CA 3976 C C . LYS C 81 ? 0.6848 0.7723 0.5384 -0.0758 0.0219 -0.0527 81 LYS D C 3977 O O . LYS C 81 ? 0.6701 0.7460 0.5232 -0.0732 0.0228 -0.0511 81 LYS D O 3978 C CB . LYS C 81 ? 0.6943 0.8206 0.5533 -0.0789 0.0198 -0.0493 81 LYS D CB 3979 C CG . LYS C 81 ? 0.7072 0.8585 0.5691 -0.0794 0.0182 -0.0480 81 LYS D CG 3980 C CD . LYS C 81 ? 0.7240 0.8940 0.5895 -0.0767 0.0174 -0.0436 81 LYS D CD 3981 C CE . LYS C 81 ? 0.7303 0.9234 0.5998 -0.0721 0.0160 -0.0401 81 LYS D CE 3982 N NZ . LYS C 81 ? 0.7315 0.9408 0.6047 -0.0658 0.0156 -0.0348 81 LYS D NZ 3983 N N . MET C 82 ? 0.7067 0.7890 0.5562 -0.0812 0.0233 -0.0570 82 MET D N 3984 C CA . MET C 82 ? 0.7448 0.8052 0.5883 -0.0840 0.0265 -0.0602 82 MET D CA 3985 C C . MET C 82 ? 0.7633 0.8226 0.6007 -0.0946 0.0287 -0.0665 82 MET D C 3986 O O . MET C 82 ? 0.7565 0.8268 0.5937 -0.0962 0.0275 -0.0690 82 MET D O 3987 C CB . MET C 82 ? 0.7600 0.8088 0.6042 -0.0753 0.0260 -0.0587 82 MET D CB 3988 C CG . MET C 82 ? 0.7958 0.8222 0.6347 -0.0750 0.0294 -0.0599 82 MET D CG 3989 S SD . MET C 82 ? 0.8427 0.8605 0.6840 -0.0640 0.0283 -0.0567 82 MET D SD 3990 C CE . MET C 82 ? 0.8408 0.8368 0.6773 -0.0618 0.0322 -0.0556 82 MET D CE 3991 N N . ASN C 83 ? 0.7900 0.8353 0.6221 -0.1019 0.0322 -0.0692 83 ASN D N 3992 C CA . ASN C 83 ? 0.8168 0.8589 0.6423 -0.1137 0.0348 -0.0761 83 ASN D CA 3993 C C . ASN C 83 ? 0.8330 0.8480 0.6510 -0.1142 0.0393 -0.0796 83 ASN D C 3994 O O . ASN C 83 ? 0.8159 0.8169 0.6342 -0.1051 0.0402 -0.0760 83 ASN D O 3995 C CB . ASN C 83 ? 0.8271 0.8788 0.6527 -0.1241 0.0355 -0.0767 83 ASN D CB 3996 C CG . ASN C 83 ? 0.8327 0.8700 0.6578 -0.1236 0.0381 -0.0730 83 ASN D CG 3997 O OD1 . ASN C 83 ? 0.8438 0.8591 0.6657 -0.1193 0.0410 -0.0723 83 ASN D OD1 3998 N ND2 . ASN C 83 ? 0.8304 0.8819 0.6589 -0.1277 0.0372 -0.0701 83 ASN D ND2 3999 N N . SER C 84 ? 0.8669 0.8753 0.6779 -0.1250 0.0422 -0.0868 84 SER D N 4000 C CA . SER C 84 ? 0.8911 0.8729 0.6935 -0.1262 0.0473 -0.0911 84 SER D CA 4001 C C . SER C 84 ? 0.8737 0.8477 0.6760 -0.1141 0.0471 -0.0892 84 SER D C 4002 O O . SER C 84 ? 0.8509 0.8069 0.6517 -0.1068 0.0497 -0.0857 84 SER D O 4003 C CB . SER C 84 ? 0.9134 0.8753 0.7131 -0.1285 0.0518 -0.0886 84 SER D CB 4004 O OG . SER C 84 ? 0.9362 0.8941 0.7405 -0.1168 0.0511 -0.0808 84 SER D OG 4005 N N . LEU C 85 ? 0.8714 0.8612 0.6757 -0.1119 0.0438 -0.0909 85 LEU D N 4006 C CA . LEU C 85 ? 0.8747 0.8620 0.6803 -0.1008 0.0428 -0.0883 85 LEU D CA 4007 C C . LEU C 85 ? 0.9178 0.8845 0.7142 -0.1004 0.0475 -0.0935 85 LEU D C 4008 O O . LEU C 85 ? 0.9438 0.8995 0.7322 -0.1098 0.0512 -0.1006 85 LEU D O 4009 C CB . LEU C 85 ? 0.8595 0.8713 0.6705 -0.0985 0.0382 -0.0876 85 LEU D CB 4010 C CG . LEU C 85 ? 0.8485 0.8818 0.6687 -0.0968 0.0338 -0.0820 85 LEU D CG 4011 C CD1 . LEU C 85 ? 0.8449 0.9017 0.6687 -0.0961 0.0305 -0.0821 85 LEU D CD1 4012 C CD2 . LEU C 85 ? 0.8365 0.8653 0.6628 -0.0864 0.0323 -0.0744 85 LEU D CD2 4013 N N . GLN C 86 ? 0.9226 0.8840 0.7200 -0.0895 0.0475 -0.0899 86 GLN D N 4014 C CA . GLN C 86 ? 0.9467 0.8899 0.7357 -0.0862 0.0520 -0.0935 86 GLN D CA 4015 C C . GLN C 86 ? 0.9129 0.8641 0.7058 -0.0753 0.0496 -0.0892 86 GLN D C 4016 O O . GLN C 86 ? 0.8808 0.8468 0.6829 -0.0700 0.0451 -0.0829 86 GLN D O 4017 C CB . GLN C 86 ? 0.9910 0.9086 0.7748 -0.0843 0.0574 -0.0917 86 GLN D CB 4018 C CG . GLN C 86 ? 1.0177 0.9355 0.8085 -0.0774 0.0560 -0.0829 86 GLN D CG 4019 C CD . GLN C 86 ? 1.0573 0.9531 0.8431 -0.0781 0.0615 -0.0813 86 GLN D CD 4020 O OE1 . GLN C 86 ? 1.0940 0.9693 0.8711 -0.0772 0.0673 -0.0841 86 GLN D OE1 4021 N NE2 . GLN C 86 ? 1.0427 0.9427 0.8337 -0.0793 0.0602 -0.0765 86 GLN D NE2 4022 N N . THR C 87 ? 0.9116 0.8532 0.6975 -0.0719 0.0527 -0.0928 87 THR D N 4023 C CA . THR C 87 ? 0.8951 0.8462 0.6845 -0.0622 0.0507 -0.0889 87 THR D CA 4024 C C . THR C 87 ? 0.8594 0.8096 0.6559 -0.0522 0.0492 -0.0795 87 THR D C 4025 O O . THR C 87 ? 0.8470 0.8111 0.6503 -0.0462 0.0456 -0.0747 87 THR D O 4026 C CB . THR C 87 ? 0.9155 0.8552 0.6950 -0.0595 0.0551 -0.0943 87 THR D CB 4027 O OG1 . THR C 87 ? 0.9430 0.8567 0.7146 -0.0578 0.0611 -0.0954 87 THR D OG1 4028 C CG2 . THR C 87 ? 0.9202 0.8670 0.6937 -0.0691 0.0552 -0.1040 87 THR D CG2 4029 N N . ASP C 88 ? 0.8568 0.7912 0.6518 -0.0508 0.0520 -0.0769 88 ASP D N 4030 C CA . ASP C 88 ? 0.8407 0.7763 0.6426 -0.0429 0.0501 -0.0685 88 ASP D CA 4031 C C . ASP C 88 ? 0.7872 0.7422 0.5998 -0.0430 0.0439 -0.0643 88 ASP D C 4032 O O . ASP C 88 ? 0.7867 0.7481 0.6058 -0.0360 0.0412 -0.0584 88 ASP D O 4033 C CB . ASP C 88 ? 0.8669 0.7858 0.6656 -0.0433 0.0538 -0.0668 88 ASP D CB 4034 C CG . ASP C 88 ? 0.9084 0.8064 0.6981 -0.0382 0.0604 -0.0672 88 ASP D CG 4035 O OD1 . ASP C 88 ? 0.9302 0.8254 0.7151 -0.0348 0.0624 -0.0698 88 ASP D OD1 4036 O OD2 . ASP C 88 ? 0.9365 0.8211 0.7238 -0.0371 0.0640 -0.0644 88 ASP D OD2 4037 N N . ASP C 89 ? 0.7389 0.7035 0.5533 -0.0509 0.0418 -0.0674 89 ASP D N 4038 C CA . ASP C 89 ? 0.6987 0.6806 0.5224 -0.0508 0.0367 -0.0636 89 ASP D CA 4039 C C . ASP C 89 ? 0.6625 0.6613 0.4923 -0.0470 0.0330 -0.0612 89 ASP D C 4040 O O . ASP C 89 ? 0.6385 0.6499 0.4761 -0.0455 0.0292 -0.0573 89 ASP D O 4041 C CB . ASP C 89 ? 0.6980 0.6862 0.5214 -0.0599 0.0362 -0.0669 89 ASP D CB 4042 C CG . ASP C 89 ? 0.7165 0.6891 0.5351 -0.0639 0.0398 -0.0680 89 ASP D CG 4043 O OD1 . ASP C 89 ? 0.7206 0.6831 0.5399 -0.0583 0.0409 -0.0637 89 ASP D OD1 4044 O OD2 . ASP C 89 ? 0.7270 0.6983 0.5413 -0.0731 0.0415 -0.0730 89 ASP D OD2 4045 N N . THR C 90 ? 0.6398 0.6386 0.4658 -0.0452 0.0344 -0.0633 90 THR D N 4046 C CA . THR C 90 ? 0.6195 0.6333 0.4512 -0.0406 0.0315 -0.0598 90 THR D CA 4047 C C . THR C 90 ? 0.5955 0.6100 0.4348 -0.0330 0.0292 -0.0523 90 THR D C 4048 O O . THR C 90 ? 0.6020 0.6051 0.4394 -0.0285 0.0310 -0.0504 90 THR D O 4049 C CB . THR C 90 ? 0.6257 0.6379 0.4511 -0.0388 0.0340 -0.0631 90 THR D CB 4050 O OG1 . THR C 90 ? 0.6309 0.6439 0.4491 -0.0467 0.0359 -0.0710 90 THR D OG1 4051 C CG2 . THR C 90 ? 0.6121 0.6408 0.4440 -0.0335 0.0312 -0.0582 90 THR D CG2 4052 N N . GLY C 91 ? 0.5651 0.5933 0.4129 -0.0318 0.0254 -0.0481 91 GLY D N 4053 C CA . GLY C 91 ? 0.5464 0.5762 0.4018 -0.0259 0.0229 -0.0416 91 GLY D CA 4054 C C . GLY C 91 ? 0.5337 0.5762 0.3974 -0.0257 0.0194 -0.0380 91 GLY D C 4055 O O . GLY C 91 ? 0.5344 0.5879 0.3986 -0.0289 0.0188 -0.0394 91 GLY D O 4056 N N . THR C 92 ? 0.5192 0.5603 0.3893 -0.0219 0.0172 -0.0333 92 THR D N 4057 C CA . THR C 92 ? 0.5032 0.5523 0.3808 -0.0209 0.0144 -0.0297 92 THR D CA 4058 C C . THR C 92 ? 0.4994 0.5426 0.3772 -0.0221 0.0136 -0.0310 92 THR D C 4059 O O . THR C 92 ? 0.4897 0.5228 0.3654 -0.0214 0.0141 -0.0317 92 THR D O 4060 C CB . THR C 92 ? 0.5029 0.5539 0.3875 -0.0165 0.0126 -0.0241 92 THR D CB 4061 O OG1 . THR C 92 ? 0.5100 0.5663 0.3937 -0.0149 0.0137 -0.0226 92 THR D OG1 4062 C CG2 . THR C 92 ? 0.4973 0.5555 0.3894 -0.0152 0.0105 -0.0202 92 THR D CG2 4063 N N . TYR C 93 ? 0.4913 0.5426 0.3717 -0.0232 0.0126 -0.0308 93 TYR D N 4064 C CA . TYR C 93 ? 0.4844 0.5331 0.3645 -0.0243 0.0121 -0.0322 93 TYR D CA 4065 C C . TYR C 93 ? 0.4771 0.5292 0.3641 -0.0204 0.0098 -0.0285 93 TYR D C 4066 O O . TYR C 93 ? 0.4710 0.5323 0.3621 -0.0187 0.0093 -0.0254 93 TYR D O 4067 C CB . TYR C 93 ? 0.4839 0.5403 0.3602 -0.0291 0.0133 -0.0354 93 TYR D CB 4068 C CG . TYR C 93 ? 0.4870 0.5358 0.3557 -0.0340 0.0159 -0.0401 93 TYR D CG 4069 C CD1 . TYR C 93 ? 0.4904 0.5381 0.3554 -0.0351 0.0175 -0.0419 93 TYR D CD1 4070 C CD2 . TYR C 93 ? 0.4926 0.5344 0.3574 -0.0371 0.0171 -0.0425 93 TYR D CD2 4071 C CE1 . TYR C 93 ? 0.5007 0.5388 0.3579 -0.0393 0.0205 -0.0466 93 TYR D CE1 4072 C CE2 . TYR C 93 ? 0.5020 0.5347 0.3598 -0.0416 0.0201 -0.0464 93 TYR D CE2 4073 C CZ . TYR C 93 ? 0.5048 0.5346 0.3585 -0.0427 0.0219 -0.0487 93 TYR D CZ 4074 O OH . TYR C 93 ? 0.5161 0.5342 0.3621 -0.0469 0.0255 -0.0529 93 TYR D OH 4075 N N . TYR C 94 ? 0.4825 0.5267 0.3704 -0.0188 0.0088 -0.0287 94 TYR D N 4076 C CA . TYR C 94 ? 0.4851 0.5291 0.3786 -0.0153 0.0069 -0.0263 94 TYR D CA 4077 C C . TYR C 94 ? 0.4878 0.5316 0.3799 -0.0149 0.0067 -0.0284 94 TYR D C 4078 O O . TYR C 94 ? 0.4705 0.5106 0.3579 -0.0170 0.0075 -0.0313 94 TYR D O 4079 C CB . TYR C 94 ? 0.4841 0.5199 0.3802 -0.0137 0.0055 -0.0253 94 TYR D CB 4080 C CG . TYR C 94 ? 0.4774 0.5137 0.3753 -0.0135 0.0056 -0.0226 94 TYR D CG 4081 C CD1 . TYR C 94 ? 0.4752 0.5151 0.3794 -0.0117 0.0047 -0.0183 94 TYR D CD1 4082 C CD2 . TYR C 94 ? 0.4771 0.5101 0.3706 -0.0145 0.0069 -0.0239 94 TYR D CD2 4083 C CE1 . TYR C 94 ? 0.4694 0.5113 0.3756 -0.0113 0.0048 -0.0153 94 TYR D CE1 4084 C CE2 . TYR C 94 ? 0.4783 0.5128 0.3733 -0.0135 0.0071 -0.0212 94 TYR D CE2 4085 C CZ . TYR C 94 ? 0.4717 0.5115 0.3732 -0.0121 0.0059 -0.0168 94 TYR D CZ 4086 O OH . TYR C 94 ? 0.4734 0.5163 0.3765 -0.0110 0.0062 -0.0137 94 TYR D OH 4087 N N . CYS C 95 ? 0.5030 0.5505 0.3988 -0.0117 0.0061 -0.0264 95 CYS D N 4088 C CA . CYS C 95 ? 0.5305 0.5765 0.4256 -0.0096 0.0057 -0.0281 95 CYS D CA 4089 C C . CYS C 95 ? 0.5205 0.5573 0.4190 -0.0066 0.0041 -0.0278 95 CYS D C 4090 O O . CYS C 95 ? 0.5094 0.5445 0.4125 -0.0055 0.0036 -0.0249 95 CYS D O 4091 C CB . CYS C 95 ? 0.5542 0.6112 0.4498 -0.0077 0.0067 -0.0265 95 CYS D CB 4092 S SG . CYS C 95 ? 0.6072 0.6706 0.5089 -0.0025 0.0072 -0.0209 95 CYS D SG 4093 N N . THR C 96 ? 0.5181 0.5495 0.4144 -0.0060 0.0033 -0.0310 96 THR D N 4094 C CA . THR C 96 ? 0.5177 0.5404 0.4162 -0.0043 0.0016 -0.0322 96 THR D CA 4095 C C . THR C 96 ? 0.5210 0.5424 0.4182 -0.0008 0.0015 -0.0346 96 THR D C 4096 O O . THR C 96 ? 0.5327 0.5602 0.4266 -0.0001 0.0026 -0.0354 96 THR D O 4097 C CB . THR C 96 ? 0.5131 0.5312 0.4094 -0.0067 0.0004 -0.0346 96 THR D CB 4098 O OG1 . THR C 96 ? 0.5140 0.5334 0.4054 -0.0066 0.0009 -0.0374 96 THR D OG1 4099 C CG2 . THR C 96 ? 0.5061 0.5256 0.4019 -0.0093 0.0012 -0.0326 96 THR D CG2 4100 N N . ARG C 97 ? 0.5242 0.5377 0.4237 0.0012 0.0005 -0.0358 97 ARG D N 4101 C CA . ARG C 97 ? 0.5299 0.5401 0.4271 0.0047 0.0003 -0.0394 97 ARG D CA 4102 C C . ARG C 97 ? 0.5367 0.5419 0.4316 0.0026 -0.0017 -0.0440 97 ARG D C 4103 O O . ARG C 97 ? 0.5389 0.5387 0.4365 0.0000 -0.0033 -0.0443 97 ARG D O 4104 C CB . ARG C 97 ? 0.5417 0.5449 0.4420 0.0086 0.0010 -0.0385 97 ARG D CB 4105 C CG . ARG C 97 ? 0.5525 0.5539 0.4495 0.0139 0.0019 -0.0416 97 ARG D CG 4106 C CD . ARG C 97 ? 0.5633 0.5531 0.4625 0.0177 0.0028 -0.0419 97 ARG D CD 4107 N NE . ARG C 97 ? 0.5749 0.5531 0.4737 0.0148 0.0006 -0.0474 97 ARG D NE 4108 C CZ . ARG C 97 ? 0.5926 0.5579 0.4915 0.0172 0.0012 -0.0504 97 ARG D CZ 4109 N NH1 . ARG C 97 ? 0.6092 0.5704 0.5086 0.0236 0.0043 -0.0477 97 ARG D NH1 4110 N NH2 . ARG C 97 ? 0.5931 0.5497 0.4914 0.0131 -0.0011 -0.0562 97 ARG D NH2 4111 N N . ASP C 98 ? 0.5459 0.5545 0.4361 0.0039 -0.0016 -0.0470 98 ASP D N 4112 C CA . ASP C 98 ? 0.5601 0.5673 0.4477 0.0023 -0.0034 -0.0507 98 ASP D CA 4113 C C . ASP C 98 ? 0.5668 0.5683 0.4530 0.0048 -0.0047 -0.0559 98 ASP D C 4114 O O . ASP C 98 ? 0.5825 0.5828 0.4674 0.0091 -0.0035 -0.0571 98 ASP D O 4115 C CB . ASP C 98 ? 0.5659 0.5805 0.4490 0.0019 -0.0023 -0.0505 98 ASP D CB 4116 C CG . ASP C 98 ? 0.5696 0.5880 0.4531 -0.0011 -0.0007 -0.0464 98 ASP D CG 4117 O OD1 . ASP C 98 ? 0.5720 0.5882 0.4588 -0.0029 -0.0008 -0.0440 98 ASP D OD1 4118 O OD2 . ASP C 98 ? 0.5787 0.6021 0.4588 -0.0020 0.0008 -0.0457 98 ASP D OD2 4119 N N . GLU C 99 ? 0.5704 0.5692 0.4564 0.0022 -0.0069 -0.0591 99 GLU D N 4120 C CA . GLU C 99 ? 0.5888 0.5822 0.4731 0.0031 -0.0086 -0.0654 99 GLU D CA 4121 C C . GLU C 99 ? 0.5916 0.5927 0.4710 0.0034 -0.0096 -0.0684 99 GLU D C 4122 O O . GLU C 99 ? 0.5774 0.5850 0.4565 0.0014 -0.0096 -0.0653 99 GLU D O 4123 C CB . GLU C 99 ? 0.5997 0.5856 0.4884 -0.0012 -0.0106 -0.0663 99 GLU D CB 4124 C CG . GLU C 99 ? 0.6320 0.6074 0.5202 -0.0009 -0.0115 -0.0725 99 GLU D CG 4125 C CD . GLU C 99 ? 0.6510 0.6178 0.5398 0.0037 -0.0088 -0.0715 99 GLU D CD 4126 O OE1 . GLU C 99 ? 0.6463 0.6118 0.5396 0.0040 -0.0072 -0.0654 99 GLU D OE1 4127 O OE2 . GLU C 99 ? 0.6645 0.6266 0.5490 0.0078 -0.0082 -0.0768 99 GLU D OE2 4128 N N . ARG C 100 ? 0.6114 0.6118 0.4868 0.0064 -0.0102 -0.0742 100 ARG D N 4129 C CA . ARG C 100 ? 0.6117 0.6214 0.4821 0.0080 -0.0107 -0.0766 100 ARG D CA 4130 C C . ARG C 100 ? 0.5974 0.6059 0.4650 0.0076 -0.0133 -0.0843 100 ARG D C 4131 O O . ARG C 100 ? 0.6047 0.6039 0.4718 0.0085 -0.0137 -0.0894 100 ARG D O 4132 C CB . ARG C 100 ? 0.6320 0.6473 0.4989 0.0132 -0.0082 -0.0754 100 ARG D CB 4133 C CG . ARG C 100 ? 0.6694 0.6789 0.5343 0.0182 -0.0073 -0.0792 100 ARG D CG 4134 C CD . ARG C 100 ? 0.7018 0.7146 0.5608 0.0220 -0.0081 -0.0859 100 ARG D CD 4135 N NE . ARG C 100 ? 0.7173 0.7418 0.5727 0.0264 -0.0062 -0.0836 100 ARG D NE 4136 C CZ . ARG C 100 ? 0.7383 0.7707 0.5885 0.0297 -0.0066 -0.0873 100 ARG D CZ 4137 N NH1 . ARG C 100 ? 0.7518 0.7823 0.5991 0.0292 -0.0091 -0.0946 100 ARG D NH1 4138 N NH2 . ARG C 100 ? 0.7367 0.7803 0.5846 0.0331 -0.0046 -0.0838 100 ARG D NH2 4139 N N . ILE C 101 ? 0.5815 0.5996 0.4470 0.0062 -0.0148 -0.0850 101 ILE D N 4140 C CA . ILE C 101 ? 0.5816 0.6037 0.4429 0.0066 -0.0172 -0.0926 101 ILE D CA 4141 C C . ILE C 101 ? 0.5680 0.6037 0.4246 0.0106 -0.0162 -0.0910 101 ILE D C 4142 O O . ILE C 101 ? 0.5617 0.6056 0.4191 0.0096 -0.0156 -0.0854 101 ILE D O 4143 C CB . ILE C 101 ? 0.5848 0.6081 0.4484 0.0005 -0.0205 -0.0953 101 ILE D CB 4144 C CG1 . ILE C 101 ? 0.5924 0.6199 0.4513 0.0002 -0.0231 -0.1046 101 ILE D CG1 4145 C CG2 . ILE C 101 ? 0.5717 0.6056 0.4374 -0.0013 -0.0205 -0.0886 101 ILE D CG2 4146 C CD1 . ILE C 101 ? 0.6061 0.6192 0.4638 -0.0004 -0.0237 -0.1127 101 ILE D CD1 4147 N N . ARG C 102 ? 0.5647 0.6024 0.4164 0.0154 -0.0156 -0.0956 102 ARG D N 4148 C CA . ARG C 102 ? 0.5516 0.6024 0.3991 0.0199 -0.0141 -0.0935 102 ARG D CA 4149 C C . ARG C 102 ? 0.5316 0.5849 0.3813 0.0201 -0.0110 -0.0842 102 ARG D C 4150 O O . ARG C 102 ? 0.5325 0.5796 0.3840 0.0209 -0.0093 -0.0821 102 ARG D O 4151 C CB . ARG C 102 ? 0.5602 0.6232 0.4049 0.0192 -0.0162 -0.0957 102 ARG D CB 4152 C CG . ARG C 102 ? 0.5736 0.6354 0.4157 0.0176 -0.0196 -0.1058 102 ARG D CG 4153 C CD . ARG C 102 ? 0.5911 0.6454 0.4290 0.0216 -0.0193 -0.1134 102 ARG D CD 4154 N NE . ARG C 102 ? 0.6096 0.6616 0.4442 0.0193 -0.0224 -0.1242 102 ARG D NE 4155 C CZ . ARG C 102 ? 0.6249 0.6898 0.4541 0.0207 -0.0242 -0.1298 102 ARG D CZ 4156 N NH1 . ARG C 102 ? 0.6275 0.7092 0.4543 0.0251 -0.0230 -0.1248 102 ARG D NH1 4157 N NH2 . ARG C 102 ? 0.6364 0.6979 0.4625 0.0174 -0.0271 -0.1405 102 ARG D NH2 4158 N N . ALA C 103 ? 0.5151 0.5772 0.3648 0.0192 -0.0101 -0.0787 103 ALA D N 4159 C CA . ALA C 103 ? 0.4971 0.5595 0.3486 0.0183 -0.0069 -0.0705 103 ALA D CA 4160 C C . ALA C 103 ? 0.4858 0.5416 0.3416 0.0137 -0.0067 -0.0663 103 ALA D C 4161 O O . ALA C 103 ? 0.4913 0.5461 0.3481 0.0124 -0.0040 -0.0605 103 ALA D O 4162 C CB . ALA C 103 ? 0.4896 0.5634 0.3379 0.0206 -0.0048 -0.0661 103 ALA D CB 4163 N N . ILE C 104 ? 0.4795 0.5309 0.3377 0.0111 -0.0094 -0.0695 104 ILE D N 4164 C CA . ILE C 104 ? 0.4729 0.5197 0.3352 0.0072 -0.0094 -0.0656 104 ILE D CA 4165 C C . ILE C 104 ? 0.4645 0.5008 0.3306 0.0053 -0.0094 -0.0658 104 ILE D C 4166 O O . ILE C 104 ? 0.4698 0.5009 0.3363 0.0058 -0.0108 -0.0707 104 ILE D O 4167 C CB . ILE C 104 ? 0.4788 0.5289 0.3423 0.0050 -0.0125 -0.0682 104 ILE D CB 4168 C CG1 . ILE C 104 ? 0.4832 0.5462 0.3427 0.0075 -0.0130 -0.0687 104 ILE D CG1 4169 C CG2 . ILE C 104 ? 0.4730 0.5204 0.3405 0.0018 -0.0123 -0.0633 104 ILE D CG2 4170 C CD1 . ILE C 104 ? 0.4831 0.5518 0.3412 0.0096 -0.0096 -0.0609 104 ILE D CD1 4171 N N . ASN C 105 ? 0.4518 0.4849 0.3203 0.0034 -0.0075 -0.0605 105 ASN D N 4172 C CA . ASN C 105 ? 0.4476 0.4728 0.3200 0.0017 -0.0074 -0.0597 105 ASN D CA 4173 C C . ASN C 105 ? 0.4378 0.4604 0.3141 -0.0016 -0.0078 -0.0565 105 ASN D C 4174 O O . ASN C 105 ? 0.4292 0.4555 0.3044 -0.0021 -0.0070 -0.0533 105 ASN D O 4175 C CB . ASN C 105 ? 0.4475 0.4732 0.3193 0.0025 -0.0045 -0.0565 105 ASN D CB 4176 C CG . ASN C 105 ? 0.4534 0.4845 0.3214 0.0060 -0.0036 -0.0583 105 ASN D CG 4177 O OD1 . ASN C 105 ? 0.4582 0.4954 0.3229 0.0070 -0.0028 -0.0575 105 ASN D OD1 4178 N ND2 . ASN C 105 ? 0.4547 0.4843 0.3230 0.0085 -0.0033 -0.0600 105 ASN D ND2 4179 N N . TRP C 106 ? 0.4306 0.4469 0.3110 -0.0032 -0.0088 -0.0568 106 TRP D N 4180 C CA . TRP C 106 ? 0.4252 0.4395 0.3096 -0.0060 -0.0089 -0.0531 106 TRP D CA 4181 C C . TRP C 106 ? 0.4236 0.4328 0.3115 -0.0064 -0.0079 -0.0511 106 TRP D C 4182 O O . TRP C 106 ? 0.4240 0.4305 0.3118 -0.0043 -0.0075 -0.0529 106 TRP D O 4183 C CB . TRP C 106 ? 0.4259 0.4409 0.3130 -0.0087 -0.0118 -0.0550 106 TRP D CB 4184 C CG . TRP C 106 ? 0.4293 0.4378 0.3190 -0.0103 -0.0140 -0.0595 106 TRP D CG 4185 C CD1 . TRP C 106 ? 0.4282 0.4304 0.3231 -0.0128 -0.0145 -0.0582 106 TRP D CD1 4186 C CD2 . TRP C 106 ? 0.4351 0.4418 0.3219 -0.0093 -0.0154 -0.0661 106 TRP D CD2 4187 N NE1 . TRP C 106 ? 0.4374 0.4324 0.3329 -0.0137 -0.0159 -0.0634 106 TRP D NE1 4188 C CE2 . TRP C 106 ? 0.4437 0.4412 0.3340 -0.0116 -0.0166 -0.0688 106 TRP D CE2 4189 C CE3 . TRP C 106 ? 0.4362 0.4483 0.3177 -0.0066 -0.0156 -0.0699 106 TRP D CE3 4190 C CZ2 . TRP C 106 ? 0.4533 0.4449 0.3412 -0.0113 -0.0179 -0.0761 106 TRP D CZ2 4191 C CZ3 . TRP C 106 ? 0.4478 0.4562 0.3271 -0.0060 -0.0172 -0.0770 106 TRP D CZ3 4192 C CH2 . TRP C 106 ? 0.4540 0.4515 0.3362 -0.0084 -0.0182 -0.0804 106 TRP D CH2 4193 N N . PHE C 107 ? 0.4233 0.4324 0.3141 -0.0082 -0.0073 -0.0469 107 PHE D N 4194 C CA . PHE C 107 ? 0.4271 0.4338 0.3215 -0.0084 -0.0062 -0.0441 107 PHE D CA 4195 C C . PHE C 107 ? 0.4391 0.4405 0.3387 -0.0099 -0.0081 -0.0444 107 PHE D C 4196 O O . PHE C 107 ? 0.4302 0.4321 0.3326 -0.0126 -0.0096 -0.0436 107 PHE D O 4197 C CB . PHE C 107 ? 0.4207 0.4302 0.3152 -0.0096 -0.0045 -0.0398 107 PHE D CB 4198 C CG . PHE C 107 ? 0.4188 0.4310 0.3079 -0.0091 -0.0024 -0.0396 107 PHE D CG 4199 C CD1 . PHE C 107 ? 0.4166 0.4304 0.3026 -0.0082 -0.0009 -0.0407 107 PHE D CD1 4200 C CD2 . PHE C 107 ? 0.4167 0.4299 0.3037 -0.0094 -0.0017 -0.0379 107 PHE D CD2 4201 C CE1 . PHE C 107 ? 0.4177 0.4331 0.2990 -0.0086 0.0012 -0.0402 107 PHE D CE1 4202 C CE2 . PHE C 107 ? 0.4160 0.4298 0.2980 -0.0089 0.0008 -0.0373 107 PHE D CE2 4203 C CZ . PHE C 107 ? 0.4171 0.4314 0.2964 -0.0089 0.0022 -0.0386 107 PHE D CZ 4204 N N . ALA C 108 ? 0.4591 0.4558 0.3602 -0.0079 -0.0075 -0.0452 108 ALA D N 4205 C CA . ALA C 108 ? 0.4707 0.4597 0.3763 -0.0092 -0.0086 -0.0458 108 ALA D CA 4206 C C . ALA C 108 ? 0.4751 0.4628 0.3860 -0.0088 -0.0071 -0.0402 108 ALA D C 4207 O O . ALA C 108 ? 0.4825 0.4667 0.3982 -0.0117 -0.0080 -0.0381 108 ALA D O 4208 C CB . ALA C 108 ? 0.4789 0.4613 0.3820 -0.0065 -0.0087 -0.0510 108 ALA D CB 4209 N N . TYR C 109 ? 0.4781 0.4696 0.3880 -0.0055 -0.0048 -0.0373 109 TYR D N 4210 C CA . TYR C 109 ? 0.4882 0.4810 0.4028 -0.0044 -0.0032 -0.0315 109 TYR D CA 4211 C C . TYR C 109 ? 0.4846 0.4876 0.3975 -0.0040 -0.0017 -0.0284 109 TYR D C 4212 O O . TYR C 109 ? 0.4890 0.4966 0.3973 -0.0029 -0.0009 -0.0304 109 TYR D O 4213 C CB . TYR C 109 ? 0.5000 0.4878 0.4156 0.0000 -0.0014 -0.0308 109 TYR D CB 4214 C CG . TYR C 109 ? 0.5170 0.4919 0.4341 -0.0002 -0.0021 -0.0340 109 TYR D CG 4215 C CD1 . TYR C 109 ? 0.5258 0.4940 0.4487 -0.0032 -0.0025 -0.0312 109 TYR D CD1 4216 C CD2 . TYR C 109 ? 0.5298 0.4990 0.4425 0.0022 -0.0022 -0.0400 109 TYR D CD2 4217 C CE1 . TYR C 109 ? 0.5450 0.4998 0.4691 -0.0047 -0.0030 -0.0348 109 TYR D CE1 4218 C CE2 . TYR C 109 ? 0.5486 0.5046 0.4618 0.0014 -0.0027 -0.0441 109 TYR D CE2 4219 C CZ . TYR C 109 ? 0.5546 0.5028 0.4736 -0.0024 -0.0031 -0.0417 109 TYR D CZ 4220 O OH . TYR C 109 ? 0.5703 0.5041 0.4896 -0.0042 -0.0035 -0.0463 109 TYR D OH 4221 N N . TRP C 110 ? 0.4861 0.4931 0.4026 -0.0053 -0.0013 -0.0236 110 TRP D N 4222 C CA . TRP C 110 ? 0.4800 0.4966 0.3947 -0.0055 0.0001 -0.0212 110 TRP D CA 4223 C C . TRP C 110 ? 0.4854 0.5079 0.4035 -0.0027 0.0019 -0.0163 110 TRP D C 4224 O O . TRP C 110 ? 0.4824 0.5007 0.4053 -0.0008 0.0022 -0.0131 110 TRP D O 4225 C CB . TRP C 110 ? 0.4717 0.4906 0.3874 -0.0082 -0.0003 -0.0194 110 TRP D CB 4226 C CG . TRP C 110 ? 0.4658 0.4830 0.3771 -0.0102 -0.0011 -0.0228 110 TRP D CG 4227 C CD1 . TRP C 110 ? 0.4596 0.4802 0.3660 -0.0110 0.0001 -0.0236 110 TRP D CD1 4228 C CD2 . TRP C 110 ? 0.4615 0.4737 0.3728 -0.0114 -0.0031 -0.0254 110 TRP D CD2 4229 N NE1 . TRP C 110 ? 0.4589 0.4765 0.3625 -0.0118 -0.0005 -0.0257 110 TRP D NE1 4230 C CE2 . TRP C 110 ? 0.4600 0.4740 0.3667 -0.0121 -0.0027 -0.0268 110 TRP D CE2 4231 C CE3 . TRP C 110 ? 0.4635 0.4699 0.3781 -0.0122 -0.0050 -0.0269 110 TRP D CE3 4232 C CZ2 . TRP C 110 ? 0.4588 0.4712 0.3642 -0.0129 -0.0042 -0.0290 110 TRP D CZ2 4233 C CZ3 . TRP C 110 ? 0.4675 0.4725 0.3807 -0.0140 -0.0069 -0.0301 110 TRP D CZ3 4234 C CH2 . TRP C 110 ? 0.4631 0.4722 0.3718 -0.0140 -0.0066 -0.0307 110 TRP D CH2 4235 N N . GLY C 111 ? 0.5005 0.5329 0.4158 -0.0027 0.0032 -0.0156 111 GLY D N 4236 C CA . GLY C 111 ? 0.5090 0.5511 0.4272 -0.0009 0.0048 -0.0105 111 GLY D CA 4237 C C . GLY C 111 ? 0.5287 0.5739 0.4484 -0.0032 0.0045 -0.0081 111 GLY D C 4238 O O . GLY C 111 ? 0.5170 0.5575 0.4349 -0.0059 0.0034 -0.0106 111 GLY D O 4239 N N . GLN C 112 ? 0.5698 0.6242 0.4929 -0.0014 0.0057 -0.0029 112 GLN D N 4240 C CA . GLN C 112 ? 0.5914 0.6509 0.5165 -0.0025 0.0058 0.0003 112 GLN D CA 4241 C C . GLN C 112 ? 0.5931 0.6566 0.5119 -0.0056 0.0060 -0.0038 112 GLN D C 4242 O O . GLN C 112 ? 0.5950 0.6573 0.5135 -0.0067 0.0057 -0.0033 112 GLN D O 4243 C CB . GLN C 112 ? 0.6195 0.6904 0.5489 0.0007 0.0074 0.0069 112 GLN D CB 4244 C CG . GLN C 112 ? 0.6487 0.7246 0.5824 0.0009 0.0076 0.0124 112 GLN D CG 4245 C CD . GLN C 112 ? 0.6710 0.7536 0.6114 0.0052 0.0093 0.0207 112 GLN D CD 4246 O OE1 . GLN C 112 ? 0.6783 0.7692 0.6184 0.0084 0.0108 0.0226 112 GLN D OE1 4247 N NE2 . GLN C 112 ? 0.6886 0.7683 0.6352 0.0053 0.0092 0.0263 112 GLN D NE2 4248 N N . GLY C 113 ? 0.6023 0.6700 0.5158 -0.0068 0.0067 -0.0077 113 GLY D N 4249 C CA . GLY C 113 ? 0.6139 0.6831 0.5206 -0.0103 0.0075 -0.0124 113 GLY D CA 4250 C C . GLY C 113 ? 0.6244 0.7078 0.5293 -0.0111 0.0088 -0.0120 113 GLY D C 4251 O O . GLY C 113 ? 0.6325 0.7257 0.5420 -0.0083 0.0091 -0.0069 113 GLY D O 4252 N N . THR C 114 ? 0.6289 0.7139 0.5270 -0.0152 0.0097 -0.0174 114 THR D N 4253 C CA . THR C 114 ? 0.6414 0.7399 0.5365 -0.0175 0.0109 -0.0186 114 THR D CA 4254 C C . THR C 114 ? 0.6445 0.7369 0.5327 -0.0211 0.0121 -0.0237 114 THR D C 4255 O O . THR C 114 ? 0.6274 0.7078 0.5111 -0.0236 0.0127 -0.0279 114 THR D O 4256 C CB . THR C 114 ? 0.6510 0.7598 0.5438 -0.0203 0.0112 -0.0209 114 THR D CB 4257 O OG1 . THR C 114 ? 0.6606 0.7703 0.5580 -0.0166 0.0105 -0.0175 114 THR D OG1 4258 C CG2 . THR C 114 ? 0.6533 0.7811 0.5458 -0.0211 0.0119 -0.0199 114 THR D CG2 4259 N N . LEU C 115 ? 0.6389 0.7398 0.5260 -0.0208 0.0129 -0.0232 115 LEU D N 4260 C CA . LEU C 115 ? 0.6481 0.7435 0.5278 -0.0236 0.0146 -0.0284 115 LEU D CA 4261 C C . LEU C 115 ? 0.6484 0.7481 0.5212 -0.0300 0.0158 -0.0351 115 LEU D C 4262 O O . LEU C 115 ? 0.6518 0.7678 0.5255 -0.0316 0.0154 -0.0349 115 LEU D O 4263 C CB . LEU C 115 ? 0.6621 0.7654 0.5429 -0.0205 0.0151 -0.0256 115 LEU D CB 4264 C CG . LEU C 115 ? 0.6813 0.7765 0.5544 -0.0213 0.0172 -0.0303 115 LEU D CG 4265 C CD1 . LEU C 115 ? 0.6819 0.7597 0.5540 -0.0194 0.0177 -0.0300 115 LEU D CD1 4266 C CD2 . LEU C 115 ? 0.6855 0.7921 0.5598 -0.0178 0.0176 -0.0272 115 LEU D CD2 4267 N N . VAL C 116 ? 0.6424 0.7280 0.5085 -0.0337 0.0175 -0.0406 116 VAL D N 4268 C CA . VAL C 116 ? 0.6412 0.7274 0.5001 -0.0411 0.0191 -0.0475 116 VAL D CA 4269 C C . VAL C 116 ? 0.6462 0.7211 0.4970 -0.0426 0.0219 -0.0527 116 VAL D C 4270 O O . VAL C 116 ? 0.6383 0.6980 0.4875 -0.0393 0.0231 -0.0519 116 VAL D O 4271 C CB . VAL C 116 ? 0.6450 0.7225 0.5030 -0.0444 0.0192 -0.0491 116 VAL D CB 4272 C CG1 . VAL C 116 ? 0.6608 0.7368 0.5111 -0.0531 0.0213 -0.0563 116 VAL D CG1 4273 C CG2 . VAL C 116 ? 0.6351 0.7238 0.5004 -0.0421 0.0168 -0.0443 116 VAL D CG2 4274 N N . THR C 117 ? 0.6536 0.7365 0.4989 -0.0475 0.0230 -0.0581 117 THR D N 4275 C CA . THR C 117 ? 0.6646 0.7368 0.5009 -0.0489 0.0262 -0.0641 117 THR D CA 4276 C C . THR C 117 ? 0.6813 0.7513 0.5094 -0.0590 0.0281 -0.0729 117 THR D C 4277 O O . THR C 117 ? 0.6704 0.7578 0.4996 -0.0642 0.0266 -0.0747 117 THR D O 4278 C CB . THR C 117 ? 0.6562 0.7393 0.4932 -0.0438 0.0260 -0.0622 117 THR D CB 4279 O OG1 . THR C 117 ? 0.6663 0.7499 0.4939 -0.0482 0.0284 -0.0703 117 THR D OG1 4280 C CG2 . THR C 117 ? 0.6427 0.7483 0.4887 -0.0409 0.0228 -0.0557 117 THR D CG2 4281 N N . VAL C 118 ? 0.7110 0.7597 0.5315 -0.0615 0.0316 -0.0776 118 VAL D N 4282 C CA . VAL C 118 ? 0.7397 0.7809 0.5520 -0.0718 0.0342 -0.0860 118 VAL D CA 4283 C C . VAL C 118 ? 0.7670 0.8007 0.5693 -0.0736 0.0376 -0.0936 118 VAL D C 4284 O O . VAL C 118 ? 0.7594 0.7756 0.5572 -0.0679 0.0406 -0.0936 118 VAL D O 4285 C CB . VAL C 118 ? 0.7419 0.7623 0.5522 -0.0735 0.0366 -0.0857 118 VAL D CB 4286 C CG1 . VAL C 118 ? 0.7537 0.7679 0.5567 -0.0854 0.0391 -0.0936 118 VAL D CG1 4287 C CG2 . VAL C 118 ? 0.7236 0.7503 0.5433 -0.0696 0.0333 -0.0780 118 VAL D CG2 4288 N N . SER C 119 ? 0.7942 0.8421 0.5928 -0.0811 0.0370 -0.1002 119 SER D N 4289 C CA . SER C 119 ? 0.8211 0.8655 0.6099 -0.0830 0.0398 -0.1084 119 SER D CA 4290 C C . SER C 119 ? 0.8492 0.9071 0.6329 -0.0951 0.0394 -0.1175 119 SER D C 4291 O O . SER C 119 ? 0.8477 0.9288 0.6376 -0.0989 0.0358 -0.1153 119 SER D O 4292 C CB . SER C 119 ? 0.8104 0.8681 0.6028 -0.0733 0.0382 -0.1037 119 SER D CB 4293 O OG . SER C 119 ? 0.8284 0.8829 0.6109 -0.0741 0.0411 -0.1116 119 SER D OG 4294 N N . SER C 120 ? 0.8915 0.9349 0.6634 -0.1008 0.0434 -0.1278 120 SER D N 4295 C CA . SER C 120 ? 0.9133 0.9680 0.6786 -0.1135 0.0434 -0.1384 120 SER D CA 4296 C C . SER C 120 ? 0.9066 0.9911 0.6737 -0.1114 0.0403 -0.1388 120 SER D C 4297 O O . SER C 120 ? 0.9260 1.0315 0.6923 -0.1208 0.0382 -0.1438 120 SER D O 4298 C CB . SER C 120 ? 0.9408 0.9684 0.6921 -0.1198 0.0491 -0.1499 120 SER D CB 4299 O OG . SER C 120 ? 0.9567 0.9576 0.7065 -0.1215 0.0524 -0.1485 120 SER D OG 4300 N N . ALA C 121 ? 0.8966 0.9844 0.6663 -0.0993 0.0399 -0.1331 121 ALA D N 4301 C CA . ALA C 121 ? 0.9031 1.0195 0.6753 -0.0955 0.0373 -0.1317 121 ALA D CA 4302 C C . ALA C 121 ? 0.8899 1.0362 0.6728 -0.0970 0.0326 -0.1248 121 ALA D C 4303 O O . ALA C 121 ? 0.8677 1.0120 0.6589 -0.0953 0.0309 -0.1172 121 ALA D O 4304 C CB . ALA C 121 ? 0.8985 1.0125 0.6740 -0.0816 0.0376 -0.1240 121 ALA D CB 4305 N N . GLU C 122 ? 0.8964 1.0707 0.6786 -0.0996 0.0307 -0.1275 122 GLU D N 4306 C CA . GLU C 122 ? 0.8903 1.0962 0.6818 -0.1004 0.0267 -0.1209 122 GLU D CA 4307 C C . GLU C 122 ? 0.8559 1.0762 0.6574 -0.0869 0.0248 -0.1082 122 GLU D C 4308 O O . GLU C 122 ? 0.8525 1.0661 0.6522 -0.0791 0.0262 -0.1069 122 GLU D O 4309 C CB . GLU C 122 ? 0.9230 1.1538 0.7083 -0.1108 0.0258 -0.1302 122 GLU D CB 4310 C CG . GLU C 122 ? 0.9353 1.1928 0.7270 -0.1173 0.0227 -0.1272 122 GLU D CG 4311 C CD . GLU C 122 ? 0.9576 1.2008 0.7468 -0.1291 0.0235 -0.1326 122 GLU D CD 4312 O OE1 . GLU C 122 ? 0.9700 1.1812 0.7570 -0.1287 0.0259 -0.1333 122 GLU D OE1 4313 O OE2 . GLU C 122 ? 0.9714 1.2370 0.7609 -0.1389 0.0217 -0.1355 122 GLU D OE2 4314 N N . THR C 123 ? 0.8274 1.0666 0.6395 -0.0839 0.0220 -0.0986 123 THR D N 4315 C CA . THR C 123 ? 0.8070 1.0595 0.6294 -0.0718 0.0205 -0.0858 123 THR D CA 4316 C C . THR C 123 ? 0.7979 1.0758 0.6186 -0.0689 0.0202 -0.0861 123 THR D C 4317 O O . THR C 123 ? 0.8118 1.1103 0.6277 -0.0764 0.0196 -0.0928 123 THR D O 4318 C CB . THR C 123 ? 0.8024 1.0707 0.6353 -0.0695 0.0182 -0.0762 123 THR D CB 4319 O OG1 . THR C 123 ? 0.8344 1.1265 0.6651 -0.0782 0.0170 -0.0808 123 THR D OG1 4320 C CG2 . THR C 123 ? 0.7991 1.0438 0.6353 -0.0696 0.0183 -0.0737 123 THR D CG2 4321 N N . THR C 124 ? 0.7791 1.0567 0.6038 -0.0584 0.0206 -0.0787 124 THR D N 4322 C CA . THR C 124 ? 0.7724 1.0736 0.5958 -0.0542 0.0206 -0.0778 124 THR D CA 4323 C C . THR C 124 ? 0.7548 1.0710 0.5904 -0.0426 0.0195 -0.0625 124 THR D C 4324 O O . THR C 124 ? 0.7285 1.0275 0.5705 -0.0360 0.0197 -0.0547 124 THR D O 4325 C CB . THR C 124 ? 0.7847 1.0698 0.5978 -0.0535 0.0232 -0.0861 124 THR D CB 4326 O OG1 . THR C 124 ? 0.8044 1.0708 0.6062 -0.0641 0.0248 -0.0999 124 THR D OG1 4327 C CG2 . THR C 124 ? 0.7840 1.0954 0.5940 -0.0504 0.0232 -0.0873 124 THR D CG2 4328 N N . ALA C 125 ? 0.7536 1.1027 0.5922 -0.0405 0.0185 -0.0582 125 ALA D N 4329 C CA . ALA C 125 ? 0.7380 1.1039 0.5882 -0.0298 0.0180 -0.0430 125 ALA D CA 4330 C C . ALA C 125 ? 0.7333 1.0965 0.5842 -0.0216 0.0192 -0.0385 125 ALA D C 4331 O O . ALA C 125 ? 0.7377 1.1034 0.5795 -0.0234 0.0203 -0.0469 125 ALA D O 4332 C CB . ALA C 125 ? 0.7353 1.1387 0.5882 -0.0298 0.0169 -0.0393 125 ALA D CB 4333 N N . PRO C 126 ? 0.7286 1.0867 0.5903 -0.0128 0.0193 -0.0253 126 PRO D N 4334 C CA . PRO C 126 ? 0.7305 1.0905 0.5945 -0.0049 0.0204 -0.0191 126 PRO D CA 4335 C C . PRO C 126 ? 0.7263 1.1210 0.5931 0.0002 0.0206 -0.0124 126 PRO D C 4336 O O . PRO C 126 ? 0.7194 1.1360 0.5909 0.0006 0.0199 -0.0072 126 PRO D O 4337 C CB . PRO C 126 ? 0.7214 1.0652 0.5967 0.0009 0.0202 -0.0072 126 PRO D CB 4338 C CG . PRO C 126 ? 0.7125 1.0571 0.5933 -0.0011 0.0191 -0.0038 126 PRO D CG 4339 C CD . PRO C 126 ? 0.7151 1.0640 0.5868 -0.0104 0.0185 -0.0162 126 PRO D CD 4340 N N . SER C 127 ? 0.7382 1.1386 0.6020 0.0048 0.0218 -0.0121 127 SER D N 4341 C CA . SER C 127 ? 0.7480 1.1802 0.6161 0.0117 0.0223 -0.0031 127 SER D CA 4342 C C . SER C 127 ? 0.7532 1.1799 0.6331 0.0206 0.0231 0.0121 127 SER D C 4343 O O . SER C 127 ? 0.7821 1.1877 0.6611 0.0221 0.0237 0.0114 127 SER D O 4344 C CB . SER C 127 ? 0.7608 1.2046 0.6175 0.0110 0.0233 -0.0130 127 SER D CB 4345 O OG . SER C 127 ? 0.7746 1.2195 0.6198 0.0012 0.0227 -0.0285 127 SER D OG 4346 N N . VAL C 128 ? 0.7402 1.1854 0.6311 0.0263 0.0232 0.0261 128 VAL D N 4347 C CA . VAL C 128 ? 0.7325 1.1716 0.6356 0.0337 0.0241 0.0414 128 VAL D CA 4348 C C . VAL C 128 ? 0.7368 1.2031 0.6437 0.0414 0.0256 0.0514 128 VAL D C 4349 O O . VAL C 128 ? 0.7342 1.2261 0.6472 0.0460 0.0264 0.0613 128 VAL D O 4350 C CB . VAL C 128 ? 0.7221 1.1573 0.6355 0.0351 0.0240 0.0511 128 VAL D CB 4351 C CG1 . VAL C 128 ? 0.7163 1.1418 0.6418 0.0414 0.0251 0.0659 128 VAL D CG1 4352 C CG2 . VAL C 128 ? 0.7278 1.1378 0.6371 0.0277 0.0225 0.0412 128 VAL D CG2 4353 N N . TYR C 129 ? 0.7463 1.2075 0.6495 0.0434 0.0263 0.0492 129 TYR D N 4354 C CA . TYR C 129 ? 0.7461 1.2328 0.6515 0.0507 0.0278 0.0575 129 TYR D CA 4355 C C . TYR C 129 ? 0.7526 1.2359 0.6719 0.0570 0.0289 0.0748 129 TYR D C 4356 O O . TYR C 129 ? 0.7488 1.2050 0.6724 0.0552 0.0284 0.0764 129 TYR D O 4357 C CB . TYR C 129 ? 0.7476 1.2316 0.6412 0.0501 0.0283 0.0462 129 TYR D CB 4358 C CG . TYR C 129 ? 0.7565 1.2422 0.6357 0.0429 0.0276 0.0282 129 TYR D CG 4359 C CD1 . TYR C 129 ? 0.7471 1.2620 0.6233 0.0415 0.0271 0.0258 129 TYR D CD1 4360 C CD2 . TYR C 129 ? 0.7657 1.2242 0.6341 0.0374 0.0276 0.0139 129 TYR D CD2 4361 C CE1 . TYR C 129 ? 0.7558 1.2725 0.6188 0.0336 0.0263 0.0089 129 TYR D CE1 4362 C CE2 . TYR C 129 ? 0.7734 1.2317 0.6285 0.0300 0.0273 -0.0026 129 TYR D CE2 4363 C CZ . TYR C 129 ? 0.7679 1.2553 0.6204 0.0275 0.0265 -0.0054 129 TYR D CZ 4364 O OH . TYR C 129 ? 0.7857 1.2730 0.6251 0.0188 0.0261 -0.0222 129 TYR D OH 4365 N N . PRO C 130 ? 0.7838 1.2950 0.7102 0.0642 0.0305 0.0881 130 PRO D N 4366 C CA . PRO C 130 ? 0.7906 1.2987 0.7305 0.0696 0.0320 0.1052 130 PRO D CA 4367 C C . PRO C 130 ? 0.7933 1.2952 0.7326 0.0717 0.0325 0.1062 130 PRO D C 4368 O O . PRO C 130 ? 0.7879 1.3000 0.7170 0.0724 0.0326 0.0973 130 PRO D O 4369 C CB . PRO C 130 ? 0.7853 1.3282 0.7315 0.0768 0.0340 0.1183 130 PRO D CB 4370 C CG . PRO C 130 ? 0.7824 1.3498 0.7164 0.0765 0.0335 0.1072 130 PRO D CG 4371 C CD . PRO C 130 ? 0.7877 1.3355 0.7105 0.0676 0.0312 0.0886 130 PRO D CD 4372 N N . LEU C 131 ? 0.8029 1.2884 0.7526 0.0725 0.0329 0.1167 131 LEU D N 4373 C CA . LEU C 131 ? 0.8140 1.2997 0.7664 0.0756 0.0337 0.1223 131 LEU D CA 4374 C C . LEU C 131 ? 0.8301 1.3279 0.7975 0.0806 0.0356 0.1423 131 LEU D C 4375 O O . LEU C 131 ? 0.8441 1.3249 0.8215 0.0785 0.0357 0.1502 131 LEU D O 4376 C CB . LEU C 131 ? 0.7984 1.2526 0.7491 0.0706 0.0322 0.1156 131 LEU D CB 4377 C CG . LEU C 131 ? 0.8043 1.2416 0.7409 0.0653 0.0308 0.0968 131 LEU D CG 4378 C CD1 . LEU C 131 ? 0.8027 1.2091 0.7402 0.0610 0.0296 0.0931 131 LEU D CD1 4379 C CD2 . LEU C 131 ? 0.8093 1.2613 0.7336 0.0681 0.0317 0.0876 131 LEU D CD2 4380 N N . ALA C 132 ? 0.8449 1.3718 0.8134 0.0872 0.0374 0.1502 132 ALA D N 4381 C CA . ALA C 132 ? 0.8661 1.4085 0.8485 0.0926 0.0399 0.1702 132 ALA D CA 4382 C C . ALA C 132 ? 0.8881 1.4437 0.8714 0.0967 0.0409 0.1757 132 ALA D C 4383 O O . ALA C 132 ? 0.8696 1.4359 0.8414 0.0985 0.0405 0.1653 132 ALA D O 4384 C CB . ALA C 132 ? 0.8697 1.4415 0.8540 0.0981 0.0417 0.1774 132 ALA D CB 4385 N N . PRO C 133 ? 0.9399 1.4948 0.9367 0.0981 0.0424 0.1921 133 PRO D N 4386 C CA . PRO C 133 ? 0.9716 1.5406 0.9706 0.1019 0.0434 0.1990 133 PRO D CA 4387 C C . PRO C 133 ? 1.0173 1.6251 1.0163 0.1106 0.0459 0.2078 133 PRO D C 4388 O O . PRO C 133 ? 1.0039 1.6276 1.0092 0.1140 0.0477 0.2180 133 PRO D O 4389 C CB . PRO C 133 ? 0.9625 1.5172 0.9768 0.0989 0.0442 0.2139 133 PRO D CB 4390 C CG . PRO C 133 ? 0.9549 1.5017 0.9770 0.0976 0.0452 0.2207 133 PRO D CG 4391 C CD . PRO C 133 ? 0.9476 1.4870 0.9580 0.0956 0.0433 0.2045 133 PRO D CD 4392 N N . GLY C 134 ? 1.0672 1.6903 1.0589 0.1146 0.0461 0.2039 134 GLY D N 4393 C CA . GLY C 134 ? 1.1138 1.7749 1.1050 0.1233 0.0484 0.2121 134 GLY D CA 4394 C C . GLY C 134 ? 1.1420 1.8182 1.1488 0.1274 0.0510 0.2342 134 GLY D C 4395 O O . GLY C 134 ? 1.1240 1.8302 1.1356 0.1341 0.0535 0.2464 134 GLY D O 4396 N N . THR C 135 ? 1.1962 1.8525 1.2107 0.1230 0.0505 0.2395 135 THR D N 4397 C CA . THR C 135 ? 1.2313 1.8979 1.2612 0.1247 0.0528 0.2603 135 THR D CA 4398 C C . THR C 135 ? 1.2668 1.9127 1.3110 0.1190 0.0535 0.2716 135 THR D C 4399 O O . THR C 135 ? 1.2717 1.8880 1.3138 0.1122 0.0514 0.2619 135 THR D O 4400 C CB . THR C 135 ? 1.2259 1.8861 1.2559 0.1230 0.0519 0.2596 135 THR D CB 4401 O OG1 . THR C 135 ? 1.2162 1.8861 1.2303 0.1276 0.0512 0.2450 135 THR D OG1 4402 C CG2 . THR C 135 ? 1.2316 1.9127 1.2757 0.1262 0.0545 0.2809 135 THR D CG2 4403 N N . ALA C 136 ? 1.3144 1.9756 1.3727 0.1220 0.0567 0.2922 136 ALA D N 4404 C CA . ALA C 136 ? 1.3438 1.9854 1.4165 0.1171 0.0583 0.3051 136 ALA D CA 4405 C C . ALA C 136 ? 1.3800 2.0327 1.4675 0.1173 0.0610 0.3255 136 ALA D C 4406 O O . ALA C 136 ? 1.3795 2.0570 1.4748 0.1238 0.0648 0.3420 136 ALA D O 4407 C CB . ALA C 136 ? 1.3314 1.9801 1.4059 0.1214 0.0607 0.3103 136 ALA D CB 4408 N N . LEU C 137 ? 1.4025 2.0380 1.4939 0.1099 0.0592 0.3247 137 LEU D N 4409 C CA . LEU C 137 ? 1.4063 2.0544 1.5103 0.1090 0.0611 0.3419 137 LEU D CA 4410 C C . LEU C 137 ? 1.4334 2.0712 1.5545 0.1049 0.0644 0.3606 137 LEU D C 4411 O O . LEU C 137 ? 1.4108 2.0722 1.5412 0.1103 0.0684 0.3789 137 LEU D O 4412 C CB . LEU C 137 ? 1.3829 2.0176 1.4851 0.1022 0.0578 0.3343 137 LEU D CB 4413 C CG . LEU C 137 ? 1.3560 1.9990 1.4421 0.1064 0.0552 0.3176 137 LEU D CG 4414 C CD1 . LEU C 137 ? 1.3375 1.9651 1.4239 0.0995 0.0526 0.3126 137 LEU D CD1 4415 C CD2 . LEU C 137 ? 1.3513 2.0332 1.4337 0.1173 0.0575 0.3237 137 LEU D CD2 4416 N N . LYS C 138 ? 1.4608 2.0631 1.5854 0.0955 0.0630 0.3559 138 LYS D N 4417 C CA . LYS C 138 ? 1.4713 2.0566 1.6113 0.0896 0.0661 0.3714 138 LYS D CA 4418 C C . LYS C 138 ? 1.4801 2.0420 1.6194 0.0893 0.0674 0.3680 138 LYS D C 4419 O O . LYS C 138 ? 1.4600 2.0190 1.5871 0.0927 0.0654 0.3532 138 LYS D O 4420 C CB . LYS C 138 ? 1.4655 2.0282 1.6119 0.0773 0.0636 0.3701 138 LYS D CB 4421 C CG . LYS C 138 ? 1.4514 2.0277 1.5920 0.0764 0.0602 0.3631 138 LYS D CG 4422 C CD . LYS C 138 ? 1.4465 2.0026 1.5944 0.0639 0.0578 0.3630 138 LYS D CD 4423 C CE . LYS C 138 ? 1.4344 1.9967 1.5728 0.0634 0.0538 0.3505 138 LYS D CE 4424 N NZ . LYS C 138 ? 1.4244 2.0236 1.5597 0.0732 0.0551 0.3563 138 LYS D NZ 4425 N N . SER C 139 ? 1.4917 2.0371 1.6439 0.0853 0.0711 0.3820 139 SER D N 4426 C CA . SER C 139 ? 1.4928 2.0094 1.6456 0.0835 0.0725 0.3792 139 SER D CA 4427 C C . SER C 139 ? 1.4858 1.9653 1.6424 0.0703 0.0701 0.3727 139 SER D C 4428 O O . SER C 139 ? 1.4733 1.9327 1.6410 0.0649 0.0734 0.3835 139 SER D O 4429 C CB . SER C 139 ? 1.4995 2.0235 1.6630 0.0902 0.0793 0.3997 139 SER D CB 4430 O OG . SER C 139 ? 1.5089 2.0355 1.6868 0.0860 0.0825 0.4180 139 SER D OG 4431 N N . ASN C 140 ? 1.4808 1.9518 1.6276 0.0651 0.0645 0.3546 140 ASN D N 4432 C CA . ASN C 140 ? 1.4731 1.9144 1.6219 0.0525 0.0612 0.3464 140 ASN D CA 4433 C C . ASN C 140 ? 1.4554 1.8648 1.5968 0.0493 0.0594 0.3313 140 ASN D C 4434 O O . ASN C 140 ? 1.4476 1.8577 1.5834 0.0567 0.0610 0.3285 140 ASN D O 4435 C CB . ASN C 140 ? 1.4678 1.9213 1.6117 0.0492 0.0568 0.3383 140 ASN D CB 4436 C CG . ASN C 140 ? 1.4525 1.9128 1.5800 0.0548 0.0533 0.3202 140 ASN D CG 4437 O OD1 . ASN C 140 ? 1.4443 1.8818 1.5638 0.0507 0.0502 0.3047 140 ASN D OD1 4438 N ND2 . ASN C 140 ? 1.4388 1.9306 1.5612 0.0638 0.0539 0.3221 140 ASN D ND2 4439 N N . SER C 141 ? 1.4213 1.8047 1.5628 0.0384 0.0561 0.3219 141 SER D N 4440 C CA . SER C 141 ? 1.3783 1.7297 1.5146 0.0342 0.0546 0.3092 141 SER D CA 4441 C C . SER C 141 ? 1.3356 1.6836 1.4568 0.0359 0.0500 0.2888 141 SER D C 4442 O O . SER C 141 ? 1.3444 1.6673 1.4611 0.0327 0.0488 0.2782 141 SER D O 4443 C CB . SER C 141 ? 1.3814 1.7050 1.5258 0.0211 0.0537 0.3096 141 SER D CB 4444 O OG . SER C 141 ? 1.3572 1.6892 1.5031 0.0140 0.0501 0.3074 141 SER D OG 4445 N N . MET C 142 ? 1.2745 1.6466 1.3878 0.0409 0.0479 0.2835 142 MET D N 4446 C CA . MET C 142 ? 1.2104 1.5798 1.3089 0.0428 0.0442 0.2648 142 MET D CA 4447 C C . MET C 142 ? 1.1244 1.5238 1.2142 0.0526 0.0445 0.2626 142 MET D C 4448 O O . MET C 142 ? 1.0701 1.4934 1.1626 0.0559 0.0453 0.2707 142 MET D O 4449 C CB . MET C 142 ? 1.2361 1.5932 1.3310 0.0348 0.0398 0.2536 142 MET D CB 4450 C CG . MET C 142 ? 1.2772 1.6044 1.3779 0.0241 0.0384 0.2513 142 MET D CG 4451 S SD . MET C 142 ? 1.3437 1.6409 1.4385 0.0230 0.0382 0.2398 142 MET D SD 4452 C CE . MET C 142 ? 1.3429 1.6105 1.4473 0.0103 0.0375 0.2415 142 MET D CE 4453 N N . VAL C 143 ? 1.0713 1.4694 1.1507 0.0569 0.0438 0.2514 143 VAL D N 4454 C CA . VAL C 143 ? 1.0354 1.4579 1.1039 0.0646 0.0435 0.2450 143 VAL D CA 4455 C C . VAL C 143 ? 0.9896 1.3971 1.0452 0.0630 0.0406 0.2262 143 VAL D C 4456 O O . VAL C 143 ? 0.9586 1.3479 1.0146 0.0610 0.0408 0.2233 143 VAL D O 4457 C CB . VAL C 143 ? 1.0382 1.4840 1.1093 0.0734 0.0473 0.2558 143 VAL D CB 4458 C CG1 . VAL C 143 ? 1.0211 1.4934 1.0805 0.0802 0.0466 0.2481 143 VAL D CG1 4459 C CG2 . VAL C 143 ? 1.0512 1.5097 1.1363 0.0752 0.0510 0.2764 143 VAL D CG2 4460 N N . THR C 144 ? 0.9557 1.3709 0.9999 0.0642 0.0384 0.2141 144 THR D N 4461 C CA . THR C 144 ? 0.9357 1.3355 0.9675 0.0619 0.0358 0.1962 144 THR D CA 4462 C C . THR C 144 ? 0.8964 1.3154 0.9178 0.0678 0.0363 0.1892 144 THR D C 4463 O O . THR C 144 ? 0.8553 1.2988 0.8734 0.0732 0.0374 0.1915 144 THR D O 4464 C CB . THR C 144 ? 0.9494 1.3369 0.9747 0.0575 0.0329 0.1853 144 THR D CB 4465 O OG1 . THR C 144 ? 0.9751 1.3802 0.9900 0.0624 0.0329 0.1785 144 THR D OG1 4466 C CG2 . THR C 144 ? 0.9515 1.3340 0.9875 0.0531 0.0326 0.1950 144 THR D CG2 4467 N N . LEU C 145 ? 0.8821 1.2904 0.8982 0.0665 0.0356 0.1806 145 LEU D N 4468 C CA . LEU C 145 ? 0.8627 1.2859 0.8679 0.0698 0.0355 0.1711 145 LEU D CA 4469 C C . LEU C 145 ? 0.8387 1.2403 0.8337 0.0644 0.0328 0.1541 145 LEU D C 4470 O O . LEU C 145 ? 0.8255 1.2019 0.8231 0.0590 0.0314 0.1513 145 LEU D O 4471 C CB . LEU C 145 ? 0.8719 1.3089 0.8819 0.0743 0.0378 0.1799 145 LEU D CB 4472 C CG . LEU C 145 ? 0.8789 1.3319 0.9017 0.0795 0.0412 0.1997 145 LEU D CG 4473 C CD1 . LEU C 145 ? 0.8805 1.3107 0.9146 0.0767 0.0426 0.2090 145 LEU D CD1 4474 C CD2 . LEU C 145 ? 0.8782 1.3620 0.8999 0.0871 0.0436 0.2056 145 LEU D CD2 4475 N N . GLY C 146 ? 0.8216 1.2335 0.8052 0.0653 0.0323 0.1429 146 GLY D N 4476 C CA . GLY C 146 ? 0.8153 1.2079 0.7888 0.0599 0.0300 0.1268 146 GLY D CA 4477 C C . GLY C 146 ? 0.7981 1.2024 0.7616 0.0599 0.0298 0.1166 146 GLY D C 4478 O O . GLY C 146 ? 0.7978 1.2286 0.7606 0.0644 0.0311 0.1207 146 GLY D O 4479 N N . CYS C 147 ? 0.7949 1.1798 0.7510 0.0543 0.0280 0.1037 147 CYS D N 4480 C CA . CYS C 147 ? 0.8136 1.2052 0.7589 0.0519 0.0273 0.0914 147 CYS D CA 4481 C C . CYS C 147 ? 0.7916 1.1671 0.7249 0.0474 0.0262 0.0762 147 CYS D C 4482 O O . CYS C 147 ? 0.8089 1.1603 0.7429 0.0443 0.0252 0.0736 147 CYS D O 4483 C CB . CYS C 147 ? 0.8578 1.2408 0.8058 0.0493 0.0267 0.0910 147 CYS D CB 4484 S SG . CYS C 147 ? 0.9392 1.3478 0.8972 0.0560 0.0290 0.1066 147 CYS D SG 4485 N N . LEU C 148 ? 0.7521 1.1412 0.6745 0.0471 0.0265 0.0665 148 LEU D N 4486 C CA . LEU C 148 ? 0.7213 1.0950 0.6309 0.0428 0.0261 0.0512 148 LEU D CA 4487 C C . LEU C 148 ? 0.6931 1.0634 0.5957 0.0366 0.0251 0.0402 148 LEU D C 4488 O O . LEU C 148 ? 0.6792 1.0714 0.5779 0.0363 0.0253 0.0374 148 LEU D O 4489 C CB . LEU C 148 ? 0.7351 1.1245 0.6361 0.0465 0.0276 0.0469 148 LEU D CB 4490 C CG . LEU C 148 ? 0.7457 1.1215 0.6315 0.0429 0.0282 0.0303 148 LEU D CG 4491 C CD1 . LEU C 148 ? 0.7416 1.0900 0.6264 0.0424 0.0285 0.0283 148 LEU D CD1 4492 C CD2 . LEU C 148 ? 0.7585 1.1553 0.6358 0.0471 0.0299 0.0263 148 LEU D CD2 4493 N N . VAL C 149 ? 0.6686 1.0131 0.5698 0.0314 0.0241 0.0343 149 VAL D N 4494 C CA . VAL C 149 ? 0.6463 0.9850 0.5412 0.0248 0.0231 0.0240 149 VAL D CA 4495 C C . VAL C 149 ? 0.6394 0.9641 0.5208 0.0205 0.0238 0.0093 149 VAL D C 4496 O O . VAL C 149 ? 0.6114 0.9122 0.4908 0.0194 0.0240 0.0061 149 VAL D O 4497 C CB . VAL C 149 ? 0.6312 0.9510 0.5332 0.0224 0.0219 0.0273 149 VAL D CB 4498 C CG1 . VAL C 149 ? 0.6297 0.9489 0.5266 0.0162 0.0210 0.0189 149 VAL D CG1 4499 C CG2 . VAL C 149 ? 0.6190 0.9477 0.5343 0.0278 0.0220 0.0428 149 VAL D CG2 4500 N N . LYS C 150 ? 0.6516 0.9917 0.5235 0.0182 0.0244 0.0004 150 LYS D N 4501 C CA . LYS C 150 ? 0.6664 0.9953 0.5244 0.0150 0.0258 -0.0134 150 LYS D CA 4502 C C . LYS C 150 ? 0.6681 0.9956 0.5168 0.0059 0.0254 -0.0266 150 LYS D C 4503 O O . LYS C 150 ? 0.6659 1.0148 0.5163 0.0034 0.0242 -0.0260 150 LYS D O 4504 C CB . LYS C 150 ? 0.6781 1.0264 0.5316 0.0207 0.0274 -0.0131 150 LYS D CB 4505 C CG . LYS C 150 ? 0.6948 1.0370 0.5323 0.0178 0.0294 -0.0285 150 LYS D CG 4506 C CD . LYS C 150 ? 0.6980 1.0518 0.5324 0.0259 0.0314 -0.0260 150 LYS D CD 4507 C CE . LYS C 150 ? 0.7167 1.0781 0.5358 0.0238 0.0333 -0.0403 150 LYS D CE 4508 N NZ . LYS C 150 ? 0.7288 1.0602 0.5350 0.0205 0.0357 -0.0537 150 LYS D NZ 4509 N N . GLY C 151 ? 0.6714 0.9738 0.5104 0.0010 0.0266 -0.0379 151 GLY D N 4510 C CA . GLY C 151 ? 0.6746 0.9732 0.5029 -0.0083 0.0269 -0.0519 151 GLY D CA 4511 C C . GLY C 151 ? 0.6707 0.9632 0.5026 -0.0154 0.0251 -0.0528 151 GLY D C 4512 O O . GLY C 151 ? 0.6897 0.9969 0.5181 -0.0221 0.0242 -0.0588 151 GLY D O 4513 N N . TYR C 152 ? 0.6548 0.9271 0.4934 -0.0142 0.0245 -0.0472 152 TYR D N 4514 C CA . TYR C 152 ? 0.6382 0.9044 0.4802 -0.0202 0.0230 -0.0477 152 TYR D CA 4515 C C . TYR C 152 ? 0.6385 0.8740 0.4750 -0.0251 0.0240 -0.0549 152 TYR D C 4516 O O . TYR C 152 ? 0.6397 0.8560 0.4720 -0.0224 0.0259 -0.0570 152 TYR D O 4517 C CB . TYR C 152 ? 0.6169 0.8907 0.4727 -0.0148 0.0211 -0.0339 152 TYR D CB 4518 C CG . TYR C 152 ? 0.6112 0.8674 0.4741 -0.0086 0.0212 -0.0256 152 TYR D CG 4519 C CD1 . TYR C 152 ? 0.6019 0.8665 0.4698 -0.0010 0.0217 -0.0170 152 TYR D CD1 4520 C CD2 . TYR C 152 ? 0.6044 0.8373 0.4692 -0.0106 0.0207 -0.0259 152 TYR D CD2 4521 C CE1 . TYR C 152 ? 0.5888 0.8392 0.4636 0.0035 0.0216 -0.0093 152 TYR D CE1 4522 C CE2 . TYR C 152 ? 0.5912 0.8101 0.4625 -0.0056 0.0206 -0.0187 152 TYR D CE2 4523 C CZ . TYR C 152 ? 0.5875 0.8153 0.4638 0.0010 0.0209 -0.0106 152 TYR D CZ 4524 O OH . TYR C 152 ? 0.5905 0.8061 0.4733 0.0048 0.0206 -0.0035 152 TYR D OH 4525 N N . PHE C 153 ? 0.6289 0.8618 0.4657 -0.0321 0.0229 -0.0581 153 PHE D N 4526 C CA . PHE C 153 ? 0.6307 0.8371 0.4639 -0.0370 0.0237 -0.0633 153 PHE D CA 4527 C C . PHE C 153 ? 0.6241 0.8365 0.4619 -0.0423 0.0218 -0.0622 153 PHE D C 4528 O O . PHE C 153 ? 0.6238 0.8590 0.4618 -0.0459 0.0207 -0.0634 153 PHE D O 4529 C CB . PHE C 153 ? 0.6400 0.8326 0.4596 -0.0436 0.0265 -0.0767 153 PHE D CB 4530 C CG . PHE C 153 ? 0.6436 0.8072 0.4591 -0.0475 0.0282 -0.0812 153 PHE D CG 4531 C CD1 . PHE C 153 ? 0.6408 0.7828 0.4555 -0.0413 0.0301 -0.0787 153 PHE D CD1 4532 C CD2 . PHE C 153 ? 0.6424 0.8019 0.4552 -0.0570 0.0279 -0.0870 153 PHE D CD2 4533 C CE1 . PHE C 153 ? 0.6392 0.7559 0.4502 -0.0441 0.0320 -0.0819 153 PHE D CE1 4534 C CE2 . PHE C 153 ? 0.6465 0.7799 0.4558 -0.0602 0.0298 -0.0902 153 PHE D CE2 4535 C CZ . PHE C 153 ? 0.6481 0.7600 0.4564 -0.0535 0.0319 -0.0876 153 PHE D CZ 4536 N N . PRO C 154 ? 0.6322 0.8269 0.4738 -0.0423 0.0214 -0.0595 154 PRO D N 4537 C CA . PRO C 154 ? 0.6361 0.8080 0.4796 -0.0371 0.0222 -0.0560 154 PRO D CA 4538 C C . PRO C 154 ? 0.6332 0.8122 0.4878 -0.0284 0.0206 -0.0439 154 PRO D C 4539 O O . PRO C 154 ? 0.6279 0.8280 0.4886 -0.0260 0.0193 -0.0380 154 PRO D O 4540 C CB . PRO C 154 ? 0.6340 0.7906 0.4777 -0.0418 0.0219 -0.0579 154 PRO D CB 4541 C CG . PRO C 154 ? 0.6228 0.7994 0.4720 -0.0442 0.0198 -0.0549 154 PRO D CG 4542 C CD . PRO C 154 ? 0.6327 0.8307 0.4773 -0.0476 0.0200 -0.0595 154 PRO D CD 4543 N N . GLU C 155 ? 0.6492 0.8107 0.5067 -0.0241 0.0208 -0.0401 155 GLU D N 4544 C CA . GLU C 155 ? 0.6562 0.8198 0.5248 -0.0181 0.0191 -0.0294 155 GLU D CA 4545 C C . GLU C 155 ? 0.6589 0.8230 0.5329 -0.0201 0.0174 -0.0270 155 GLU D C 4546 O O . GLU C 155 ? 0.6695 0.8275 0.5386 -0.0260 0.0177 -0.0335 155 GLU D O 4547 C CB . GLU C 155 ? 0.6646 0.8105 0.5343 -0.0141 0.0196 -0.0268 155 GLU D CB 4548 C CG . GLU C 155 ? 0.6794 0.8335 0.5493 -0.0089 0.0206 -0.0233 155 GLU D CG 4549 C CD . GLU C 155 ? 0.6890 0.8295 0.5603 -0.0047 0.0212 -0.0200 155 GLU D CD 4550 O OE1 . GLU C 155 ? 0.7064 0.8296 0.5710 -0.0061 0.0227 -0.0255 155 GLU D OE1 4551 O OE2 . GLU C 155 ? 0.6882 0.8364 0.5671 0.0000 0.0203 -0.0114 155 GLU D OE2 4552 N N . PRO C 156 ? 0.6542 0.8252 0.5379 -0.0153 0.0161 -0.0177 156 PRO D N 4553 C CA . PRO C 156 ? 0.6450 0.8212 0.5356 -0.0090 0.0159 -0.0092 156 PRO D CA 4554 C C . PRO C 156 ? 0.6442 0.8447 0.5383 -0.0062 0.0161 -0.0039 156 PRO D C 4555 O O . PRO C 156 ? 0.6299 0.8448 0.5211 -0.0091 0.0161 -0.0070 156 PRO D O 4556 C CB . PRO C 156 ? 0.6353 0.8013 0.5341 -0.0066 0.0147 -0.0029 156 PRO D CB 4557 C CG . PRO C 156 ? 0.6351 0.8049 0.5337 -0.0092 0.0142 -0.0049 156 PRO D CG 4558 C CD . PRO C 156 ? 0.6479 0.8204 0.5369 -0.0155 0.0149 -0.0146 156 PRO D CD 4559 N N . VAL C 157 ? 0.6533 0.8592 0.5538 -0.0006 0.0163 0.0045 157 VAL D N 4560 C CA . VAL C 157 ? 0.6542 0.8822 0.5606 0.0036 0.0166 0.0128 157 VAL D CA 4561 C C . VAL C 157 ? 0.6619 0.8848 0.5794 0.0085 0.0164 0.0239 157 VAL D C 4562 O O . VAL C 157 ? 0.6411 0.8489 0.5609 0.0090 0.0160 0.0254 157 VAL D O 4563 C CB . VAL C 157 ? 0.6465 0.8902 0.5487 0.0050 0.0177 0.0116 157 VAL D CB 4564 C CG1 . VAL C 157 ? 0.6405 0.8810 0.5473 0.0099 0.0181 0.0185 157 VAL D CG1 4565 C CG2 . VAL C 157 ? 0.6435 0.9147 0.5474 0.0069 0.0180 0.0154 157 VAL D CG2 4566 N N . THR C 158 ? 0.6898 0.9252 0.6137 0.0119 0.0168 0.0315 158 THR D N 4567 C CA . THR C 158 ? 0.7143 0.9451 0.6486 0.0166 0.0173 0.0425 158 THR D CA 4568 C C . THR C 158 ? 0.7333 0.9849 0.6731 0.0221 0.0189 0.0527 158 THR D C 4569 O O . THR C 158 ? 0.7150 0.9884 0.6517 0.0232 0.0196 0.0524 158 THR D O 4570 C CB . THR C 158 ? 0.7168 0.9427 0.6542 0.0175 0.0174 0.0443 158 THR D CB 4571 O OG1 . THR C 158 ? 0.7175 0.9294 0.6631 0.0204 0.0178 0.0518 158 THR D OG1 4572 C CG2 . THR C 158 ? 0.7218 0.9714 0.6603 0.0210 0.0188 0.0489 158 THR D CG2 4573 N N . VAL C 159 ? 0.7628 1.0085 0.7106 0.0250 0.0194 0.0616 159 VAL D N 4574 C CA . VAL C 159 ? 0.7766 1.0407 0.7307 0.0303 0.0211 0.0727 159 VAL D CA 4575 C C . VAL C 159 ? 0.7965 1.0513 0.7616 0.0335 0.0224 0.0844 159 VAL D C 4576 O O . VAL C 159 ? 0.7921 1.0273 0.7601 0.0308 0.0214 0.0840 159 VAL D O 4577 C CB . VAL C 159 ? 0.7712 1.0401 0.7226 0.0300 0.0209 0.0713 159 VAL D CB 4578 C CG1 . VAL C 159 ? 0.7734 1.0630 0.7314 0.0357 0.0228 0.0834 159 VAL D CG1 4579 C CG2 . VAL C 159 ? 0.7763 1.0511 0.7158 0.0267 0.0202 0.0590 159 VAL D CG2 4580 N N . THR C 160 ? 0.8278 1.0970 0.7989 0.0392 0.0247 0.0947 160 THR D N 4581 C CA . THR C 160 ? 0.8694 1.1305 0.8510 0.0428 0.0269 0.1070 160 THR D CA 4582 C C . THR C 160 ? 0.9124 1.1965 0.9003 0.0489 0.0296 0.1199 160 THR D C 4583 O O . THR C 160 ? 0.9197 1.2280 0.9034 0.0514 0.0299 0.1193 160 THR D O 4584 C CB . THR C 160 ? 0.8745 1.1262 0.8581 0.0451 0.0282 0.1086 160 THR D CB 4585 O OG1 . THR C 160 ? 0.8642 1.1372 0.8437 0.0485 0.0291 0.1079 160 THR D OG1 4586 C CG2 . THR C 160 ? 0.8706 1.0974 0.8498 0.0394 0.0258 0.0977 160 THR D CG2 4587 N N . TRP C 161 ? 0.9473 1.2237 0.9449 0.0511 0.0316 0.1315 161 TRP D N 4588 C CA . TRP C 161 ? 0.9676 1.2639 0.9725 0.0567 0.0344 0.1453 161 TRP D CA 4589 C C . TRP C 161 ? 0.9816 1.2771 0.9950 0.0630 0.0385 0.1588 161 TRP D C 4590 O O . TRP C 161 ? 0.9851 1.2578 1.0047 0.0615 0.0396 0.1631 161 TRP D O 4591 C CB . TRP C 161 ? 0.9669 1.2571 0.9764 0.0535 0.0336 0.1490 161 TRP D CB 4592 C CG . TRP C 161 ? 0.9604 1.2588 0.9620 0.0504 0.0309 0.1393 161 TRP D CG 4593 C CD1 . TRP C 161 ? 0.9635 1.2453 0.9590 0.0443 0.0279 0.1274 161 TRP D CD1 4594 C CD2 . TRP C 161 ? 0.9532 1.2784 0.9513 0.0538 0.0314 0.1406 161 TRP D CD2 4595 N NE1 . TRP C 161 ? 0.9625 1.2574 0.9508 0.0440 0.0268 0.1215 161 TRP D NE1 4596 C CE2 . TRP C 161 ? 0.9548 1.2762 0.9444 0.0497 0.0288 0.1288 161 TRP D CE2 4597 C CE3 . TRP C 161 ? 0.9528 1.3054 0.9541 0.0605 0.0340 0.1507 161 TRP D CE3 4598 C CZ2 . TRP C 161 ? 0.9478 1.2903 0.9313 0.0519 0.0288 0.1260 161 TRP D CZ2 4599 C CZ3 . TRP C 161 ? 0.9556 1.3311 0.9511 0.0624 0.0336 0.1479 161 TRP D CZ3 4600 C CH2 . TRP C 161 ? 0.9542 1.3237 0.9406 0.0580 0.0310 0.1352 161 TRP D CH2 4601 N N . ASN C 162 ? 0.9882 1.3091 1.0017 0.0700 0.0410 0.1654 162 ASN D N 4602 C CA . ASN C 162 ? 1.0029 1.3259 1.0230 0.0777 0.0455 0.1780 162 ASN D CA 4603 C C . ASN C 162 ? 1.0230 1.3201 1.0416 0.0763 0.0455 0.1724 162 ASN D C 4604 O O . ASN C 162 ? 1.0104 1.2869 1.0357 0.0779 0.0483 0.1797 162 ASN D O 4605 C CB . ASN C 162 ? 1.0033 1.3244 1.0347 0.0813 0.0492 0.1943 162 ASN D CB 4606 C CG . ASN C 162 ? 0.9906 1.3416 1.0239 0.0846 0.0500 0.2020 162 ASN D CG 4607 O OD1 . ASN C 162 ? 0.9752 1.3530 1.0024 0.0871 0.0490 0.1983 162 ASN D OD1 4608 N ND2 . ASN C 162 ? 0.9849 1.3323 1.0270 0.0845 0.0518 0.2130 162 ASN D ND2 4609 N N . SER C 163 ? 1.0435 1.3415 1.0529 0.0730 0.0425 0.1590 163 SER D N 4610 C CA . SER C 163 ? 1.0643 1.3395 1.0705 0.0709 0.0417 0.1514 163 SER D CA 4611 C C . SER C 163 ? 1.1044 1.3482 1.1133 0.0644 0.0401 0.1476 163 SER D C 4612 O O . SER C 163 ? 1.1190 1.3609 1.1268 0.0585 0.0373 0.1429 163 SER D O 4613 C CB . SER C 163 ? 1.0741 1.3521 1.0841 0.0799 0.0463 0.1613 163 SER D CB 4614 O OG . SER C 163 ? 1.0729 1.3842 1.0823 0.0864 0.0481 0.1678 163 SER D OG 4615 N N . GLY C 164 ? 1.1439 1.3642 1.1560 0.0655 0.0420 0.1496 164 GLY D N 4616 C CA . GLY C 164 ? 1.1652 1.3567 1.1798 0.0588 0.0405 0.1457 164 GLY D CA 4617 C C . GLY C 164 ? 1.1740 1.3597 1.1978 0.0572 0.0420 0.1559 164 GLY D C 4618 O O . GLY C 164 ? 1.1631 1.3274 1.1889 0.0505 0.0403 0.1521 164 GLY D O 4619 N N . ALA C 165 ? 1.1943 1.3995 1.2238 0.0631 0.0453 0.1690 165 ALA D N 4620 C CA . ALA C 165 ? 1.2160 1.4176 1.2550 0.0618 0.0472 0.1803 165 ALA D CA 4621 C C . ALA C 165 ? 1.2369 1.4498 1.2749 0.0559 0.0435 0.1766 165 ALA D C 4622 O O . ALA C 165 ? 1.2389 1.4761 1.2790 0.0595 0.0445 0.1841 165 ALA D O 4623 C CB . ALA C 165 ? 1.2127 1.4308 1.2586 0.0712 0.0528 0.1971 165 ALA D CB 4624 N N . LEU C 166 ? 1.2600 1.4559 1.2947 0.0476 0.0394 0.1654 166 LEU D N 4625 C CA . LEU C 166 ? 1.2616 1.4662 1.2943 0.0424 0.0360 0.1608 166 LEU D CA 4626 C C . LEU C 166 ? 1.2794 1.4630 1.3153 0.0337 0.0336 0.1574 166 LEU D C 4627 O O . LEU C 166 ? 1.2841 1.4740 1.3253 0.0311 0.0333 0.1635 166 LEU D O 4628 C CB . LEU C 166 ? 1.2621 1.4787 1.2835 0.0422 0.0329 0.1481 166 LEU D CB 4629 C CG . LEU C 166 ? 1.2743 1.4746 1.2871 0.0374 0.0295 0.1329 166 LEU D CG 4630 C CD1 . LEU C 166 ? 1.2647 1.4779 1.2679 0.0358 0.0268 0.1225 166 LEU D CD1 4631 C CD2 . LEU C 166 ? 1.2741 1.4671 1.2848 0.0409 0.0311 0.1311 166 LEU D CD2 4632 N N . SER C 167 ? 1.2911 1.4517 1.3237 0.0294 0.0318 0.1479 167 SER D N 4633 C CA . SER C 167 ? 1.3065 1.4469 1.3419 0.0209 0.0295 0.1441 167 SER D CA 4634 C C . SER C 167 ? 1.2756 1.4247 1.3079 0.0160 0.0257 0.1383 167 SER D C 4635 O O . SER C 167 ? 1.2752 1.4411 1.3009 0.0190 0.0246 0.1342 167 SER D O 4636 C CB . SER C 167 ? 1.3454 1.4764 1.3921 0.0191 0.0326 0.1565 167 SER D CB 4637 O OG . SER C 167 ? 1.3834 1.5122 1.4333 0.0262 0.0374 0.1650 167 SER D OG 4638 N N . SER C 168 ? 1.2379 1.3762 1.2748 0.0086 0.0239 0.1382 168 SER D N 4639 C CA . SER C 168 ? 1.1907 1.3376 1.2254 0.0046 0.0207 0.1343 168 SER D CA 4640 C C . SER C 168 ? 1.1573 1.3261 1.1976 0.0067 0.0220 0.1453 168 SER D C 4641 O O . SER C 168 ? 1.1617 1.3343 1.2049 0.0021 0.0202 0.1466 168 SER D O 4642 C CB . SER C 168 ? 1.1889 1.3181 1.2260 -0.0043 0.0180 0.1294 168 SER D CB 4643 O OG . SER C 168 ? 1.1687 1.3064 1.2025 -0.0072 0.0149 0.1247 168 SER D OG 4644 N N . GLY C 169 ? 1.0885 1.2730 1.1302 0.0139 0.0251 0.1534 169 GLY D N 4645 C CA . GLY C 169 ? 1.0412 1.2504 1.0855 0.0177 0.0262 0.1619 169 GLY D CA 4646 C C . GLY C 169 ? 1.0043 1.2311 1.0382 0.0231 0.0254 0.1547 169 GLY D C 4647 O O . GLY C 169 ? 1.0006 1.2495 1.0350 0.0276 0.0266 0.1609 169 GLY D O 4648 N N . VAL C 170 ? 0.9582 1.1752 0.9825 0.0224 0.0234 0.1416 170 VAL D N 4649 C CA . VAL C 170 ? 0.9094 1.1393 0.9230 0.0264 0.0229 0.1333 170 VAL D CA 4650 C C . VAL C 170 ? 0.8599 1.0838 0.8653 0.0230 0.0201 0.1220 170 VAL D C 4651 O O . VAL C 170 ? 0.8456 1.0519 0.8516 0.0177 0.0181 0.1174 170 VAL D O 4652 C CB . VAL C 170 ? 0.9209 1.1455 0.9297 0.0286 0.0236 0.1280 170 VAL D CB 4653 C CG1 . VAL C 170 ? 0.9219 1.1535 0.9187 0.0297 0.0223 0.1160 170 VAL D CG1 4654 C CG2 . VAL C 170 ? 0.9228 1.1597 0.9381 0.0344 0.0270 0.1398 170 VAL D CG2 4655 N N . HIS C 171 ? 0.8040 1.0430 0.8017 0.0265 0.0202 0.1178 171 HIS D N 4656 C CA . HIS C 171 ? 0.7586 0.9916 0.7463 0.0248 0.0185 0.1062 171 HIS D CA 4657 C C . HIS C 171 ? 0.7201 0.9584 0.6971 0.0273 0.0189 0.0969 171 HIS D C 4658 O O . HIS C 171 ? 0.7123 0.9691 0.6882 0.0317 0.0206 0.1000 171 HIS D O 4659 C CB . HIS C 171 ? 0.7491 0.9940 0.7367 0.0265 0.0186 0.1094 171 HIS D CB 4660 C CG . HIS C 171 ? 0.7479 0.9910 0.7463 0.0233 0.0181 0.1189 171 HIS D CG 4661 N ND1 . HIS C 171 ? 0.7478 0.9743 0.7481 0.0175 0.0159 0.1157 171 HIS D ND1 4662 C CD2 . HIS C 171 ? 0.7404 0.9973 0.7485 0.0245 0.0194 0.1318 171 HIS D CD2 4663 C CE1 . HIS C 171 ? 0.7531 0.9830 0.7637 0.0146 0.0158 0.1256 171 HIS D CE1 4664 N NE2 . HIS C 171 ? 0.7494 0.9971 0.7650 0.0187 0.0180 0.1358 171 HIS D NE2 4665 N N . THR C 172 ? 0.6772 0.9002 0.6467 0.0242 0.0175 0.0856 172 THR D N 4666 C CA . THR C 172 ? 0.6545 0.8809 0.6127 0.0251 0.0179 0.0753 172 THR D CA 4667 C C . THR C 172 ? 0.6227 0.8395 0.5727 0.0236 0.0172 0.0668 172 THR D C 4668 O O . THR C 172 ? 0.5972 0.7988 0.5489 0.0205 0.0158 0.0652 172 THR D O 4669 C CB . THR C 172 ? 0.6562 0.8746 0.6120 0.0230 0.0174 0.0698 172 THR D CB 4670 O OG1 . THR C 172 ? 0.6583 0.8567 0.6097 0.0188 0.0158 0.0612 172 THR D OG1 4671 C CG2 . THR C 172 ? 0.6640 0.8830 0.6299 0.0242 0.0181 0.0795 172 THR D CG2 4672 N N . PHE C 173 ? 0.6000 0.8264 0.5412 0.0263 0.0185 0.0616 173 PHE D N 4673 C CA . PHE C 173 ? 0.5939 0.8134 0.5272 0.0269 0.0190 0.0553 173 PHE D CA 4674 C C . PHE C 173 ? 0.5873 0.7929 0.5097 0.0239 0.0191 0.0426 173 PHE D C 4675 O O . PHE C 173 ? 0.5829 0.7922 0.5018 0.0225 0.0192 0.0381 173 PHE D O 4676 C CB . PHE C 173 ? 0.5938 0.8312 0.5239 0.0322 0.0209 0.0578 173 PHE D CB 4677 C CG . PHE C 173 ? 0.5886 0.8396 0.5297 0.0349 0.0210 0.0711 173 PHE D CG 4678 C CD1 . PHE C 173 ? 0.5833 0.8497 0.5322 0.0365 0.0214 0.0801 173 PHE D CD1 4679 C CD2 . PHE C 173 ? 0.5882 0.8372 0.5322 0.0358 0.0208 0.0753 173 PHE D CD2 4680 C CE1 . PHE C 173 ? 0.5761 0.8543 0.5356 0.0385 0.0217 0.0929 173 PHE D CE1 4681 C CE2 . PHE C 173 ? 0.5855 0.8476 0.5401 0.0373 0.0208 0.0878 173 PHE D CE2 4682 C CZ . PHE C 173 ? 0.5808 0.8568 0.5432 0.0384 0.0214 0.0967 173 PHE D CZ 4683 N N . PRO C 174 ? 0.5841 0.7744 0.5016 0.0229 0.0191 0.0374 174 PRO D N 4684 C CA . PRO C 174 ? 0.5878 0.7647 0.4948 0.0202 0.0198 0.0259 174 PRO D CA 4685 C C . PRO C 174 ? 0.5974 0.7817 0.4938 0.0217 0.0220 0.0188 174 PRO D C 4686 O O . PRO C 174 ? 0.5938 0.7877 0.4873 0.0263 0.0237 0.0204 174 PRO D O 4687 C CB . PRO C 174 ? 0.5872 0.7495 0.4914 0.0206 0.0200 0.0240 174 PRO D CB 4688 C CG . PRO C 174 ? 0.5829 0.7482 0.4986 0.0208 0.0181 0.0338 174 PRO D CG 4689 C CD . PRO C 174 ? 0.5862 0.7705 0.5084 0.0235 0.0184 0.0421 174 PRO D CD 4690 N N . ALA C 175 ? 0.6167 0.7971 0.5073 0.0176 0.0221 0.0107 175 ALA D N 4691 C CA . ALA C 175 ? 0.6407 0.8262 0.5203 0.0170 0.0241 0.0020 175 ALA D CA 4692 C C . ALA C 175 ? 0.6709 0.8423 0.5396 0.0186 0.0268 -0.0052 175 ALA D C 4693 O O . ALA C 175 ? 0.6791 0.8339 0.5476 0.0184 0.0270 -0.0057 175 ALA D O 4694 C CB . ALA C 175 ? 0.6400 0.8238 0.5166 0.0110 0.0233 -0.0047 175 ALA D CB 4695 N N . VAL C 176 ? 0.6991 0.8776 0.5587 0.0206 0.0292 -0.0108 176 VAL D N 4696 C CA . VAL C 176 ? 0.7243 0.8886 0.5719 0.0227 0.0327 -0.0186 176 VAL D CA 4697 C C . VAL C 176 ? 0.7409 0.9013 0.5768 0.0175 0.0344 -0.0312 176 VAL D C 4698 O O . VAL C 176 ? 0.7224 0.8997 0.5580 0.0152 0.0335 -0.0330 176 VAL D O 4699 C CB . VAL C 176 ? 0.7297 0.9044 0.5756 0.0308 0.0348 -0.0145 176 VAL D CB 4700 C CG1 . VAL C 176 ? 0.7462 0.9029 0.5804 0.0344 0.0388 -0.0209 176 VAL D CG1 4701 C CG2 . VAL C 176 ? 0.7184 0.9031 0.5776 0.0346 0.0326 -0.0010 176 VAL D CG2 4702 N N . LEU C 177 ? 0.7739 0.9123 0.6000 0.0156 0.0371 -0.0394 177 LEU D N 4703 C CA . LEU C 177 ? 0.8230 0.9530 0.6366 0.0100 0.0395 -0.0522 177 LEU D CA 4704 C C . LEU C 177 ? 0.8669 0.9968 0.6694 0.0153 0.0435 -0.0576 177 LEU D C 4705 O O . LEU C 177 ? 0.8761 0.9948 0.6755 0.0222 0.0463 -0.0553 177 LEU D O 4706 C CB . LEU C 177 ? 0.8334 0.9376 0.6419 0.0054 0.0411 -0.0579 177 LEU D CB 4707 C CG . LEU C 177 ? 0.8293 0.9331 0.6415 -0.0036 0.0384 -0.0604 177 LEU D CG 4708 C CD1 . LEU C 177 ? 0.8329 0.9152 0.6457 -0.0055 0.0389 -0.0601 177 LEU D CD1 4709 C CD2 . LEU C 177 ? 0.8317 0.9387 0.6345 -0.0112 0.0395 -0.0717 177 LEU D CD2 4710 N N . GLN C 178 ? 0.9040 1.0471 0.7003 0.0125 0.0438 -0.0646 178 GLN D N 4711 C CA . GLN C 178 ? 0.9532 1.0949 0.7367 0.0165 0.0479 -0.0724 178 GLN D CA 4712 C C . GLN C 178 ? 0.9844 1.1081 0.7541 0.0082 0.0508 -0.0875 178 GLN D C 4713 O O . GLN C 178 ? 1.0061 1.1035 0.7692 0.0080 0.0542 -0.0916 178 GLN D O 4714 C CB . GLN C 178 ? 0.9577 1.1288 0.7436 0.0205 0.0466 -0.0691 178 GLN D CB 4715 C CG . GLN C 178 ? 0.9830 1.1543 0.7559 0.0265 0.0509 -0.0761 178 GLN D CG 4716 C CD . GLN C 178 ? 0.9888 1.1902 0.7662 0.0331 0.0497 -0.0693 178 GLN D CD 4717 O OE1 . GLN C 178 ? 0.9940 1.2182 0.7814 0.0308 0.0459 -0.0629 178 GLN D OE1 4718 N NE2 . GLN C 178 ? 0.9998 1.2020 0.7698 0.0421 0.0533 -0.0699 178 GLN D NE2 4719 N N . SER C 179 ? 0.9846 1.1226 0.7505 0.0010 0.0495 -0.0952 179 SER D N 4720 C CA . SER C 179 ? 0.9962 1.1192 0.7484 -0.0079 0.0523 -0.1104 179 SER D CA 4721 C C . SER C 179 ? 0.9718 1.0929 0.7291 -0.0190 0.0493 -0.1119 179 SER D C 4722 O O . SER C 179 ? 0.9696 1.1072 0.7263 -0.0271 0.0471 -0.1172 179 SER D O 4723 C CB . SER C 179 ? 1.0188 1.1601 0.7621 -0.0093 0.0530 -0.1194 179 SER D CB 4724 O OG . SER C 179 ? 1.0180 1.1602 0.7558 0.0015 0.0562 -0.1183 179 SER D OG 4725 N N . GLY C 180 ? 0.9499 1.0526 0.7126 -0.0187 0.0493 -0.1065 180 GLY D N 4726 C CA . GLY C 180 ? 0.9197 1.0198 0.6883 -0.0275 0.0465 -0.1060 180 GLY D CA 4727 C C . GLY C 180 ? 0.8762 1.0043 0.6574 -0.0289 0.0413 -0.0981 180 GLY D C 4728 O O . GLY C 180 ? 0.8783 1.0113 0.6619 -0.0373 0.0391 -0.1003 180 GLY D O 4729 N N . LEU C 181 ? 0.8494 0.9957 0.6387 -0.0204 0.0394 -0.0882 181 LEU D N 4730 C CA . LEU C 181 ? 0.8199 0.9931 0.6206 -0.0205 0.0352 -0.0800 181 LEU D CA 4731 C C . LEU C 181 ? 0.7727 0.9563 0.5850 -0.0104 0.0337 -0.0660 181 LEU D C 4732 O O . LEU C 181 ? 0.7718 0.9554 0.5817 -0.0032 0.0356 -0.0639 181 LEU D O 4733 C CB . LEU C 181 ? 0.8361 1.0318 0.6309 -0.0253 0.0348 -0.0875 181 LEU D CB 4734 C CG . LEU C 181 ? 0.8419 1.0706 0.6435 -0.0207 0.0326 -0.0802 181 LEU D CG 4735 C CD1 . LEU C 181 ? 0.8535 1.1032 0.6508 -0.0291 0.0313 -0.0879 181 LEU D CD1 4736 C CD2 . LEU C 181 ? 0.8565 1.0905 0.6543 -0.0118 0.0347 -0.0787 181 LEU D CD2 4737 N N . TYR C 182 ? 0.7404 0.9321 0.5649 -0.0104 0.0305 -0.0567 182 TYR D N 4738 C CA . TYR C 182 ? 0.7168 0.9120 0.5531 -0.0029 0.0290 -0.0434 182 TYR D CA 4739 C C . TYR C 182 ? 0.6948 0.9173 0.5377 0.0023 0.0280 -0.0352 182 TYR D C 4740 O O . TYR C 182 ? 0.6918 0.9340 0.5349 -0.0003 0.0269 -0.0364 182 TYR D O 4741 C CB . TYR C 182 ? 0.7056 0.8947 0.5517 -0.0052 0.0265 -0.0375 182 TYR D CB 4742 C CG . TYR C 182 ? 0.7137 0.8764 0.5567 -0.0079 0.0273 -0.0415 182 TYR D CG 4743 C CD1 . TYR C 182 ? 0.7172 0.8664 0.5628 -0.0027 0.0280 -0.0365 182 TYR D CD1 4744 C CD2 . TYR C 182 ? 0.7225 0.8754 0.5601 -0.0157 0.0275 -0.0496 182 TYR D CD2 4745 C CE1 . TYR C 182 ? 0.7241 0.8510 0.5669 -0.0045 0.0289 -0.0394 182 TYR D CE1 4746 C CE2 . TYR C 182 ? 0.7285 0.8580 0.5634 -0.0177 0.0286 -0.0524 182 TYR D CE2 4747 C CZ . TYR C 182 ? 0.7340 0.8508 0.5714 -0.0118 0.0293 -0.0472 182 TYR D CZ 4748 O OH . TYR C 182 ? 0.7467 0.8424 0.5816 -0.0130 0.0305 -0.0492 182 TYR D OH 4749 N N . THR C 183 ? 0.6838 0.9082 0.5326 0.0097 0.0282 -0.0261 183 THR D N 4750 C CA . THR C 183 ? 0.6732 0.9223 0.5301 0.0154 0.0274 -0.0157 183 THR D CA 4751 C C . THR C 183 ? 0.6627 0.9078 0.5315 0.0203 0.0264 -0.0030 183 THR D C 4752 O O . THR C 183 ? 0.6635 0.8905 0.5315 0.0215 0.0271 -0.0033 183 THR D O 4753 C CB . THR C 183 ? 0.6804 0.9433 0.5289 0.0194 0.0296 -0.0197 183 THR D CB 4754 O OG1 . THR C 183 ? 0.6627 0.9446 0.5201 0.0267 0.0294 -0.0074 183 THR D OG1 4755 C CG2 . THR C 183 ? 0.6996 0.9420 0.5370 0.0208 0.0326 -0.0280 183 THR D CG2 4756 N N . LEU C 184 ? 0.6473 0.9101 0.5272 0.0230 0.0251 0.0080 184 LEU D N 4757 C CA . LEU C 184 ? 0.6373 0.8953 0.5297 0.0253 0.0238 0.0198 184 LEU D CA 4758 C C . LEU C 184 ? 0.6330 0.9137 0.5354 0.0302 0.0237 0.0324 184 LEU D C 4759 O O . LEU C 184 ? 0.6149 0.9157 0.5164 0.0311 0.0240 0.0328 184 LEU D O 4760 C CB . LEU C 184 ? 0.6372 0.8814 0.5334 0.0204 0.0220 0.0187 184 LEU D CB 4761 C CG . LEU C 184 ? 0.6255 0.8654 0.5345 0.0210 0.0205 0.0294 184 LEU D CG 4762 C CD1 . LEU C 184 ? 0.6230 0.8411 0.5311 0.0163 0.0193 0.0241 184 LEU D CD1 4763 C CD2 . LEU C 184 ? 0.6199 0.8783 0.5367 0.0229 0.0203 0.0376 184 LEU D CD2 4764 N N . THR C 185 ? 0.6400 0.9180 0.5522 0.0330 0.0233 0.0430 185 THR D N 4765 C CA . THR C 185 ? 0.6468 0.9433 0.5700 0.0373 0.0236 0.0567 185 THR D CA 4766 C C . THR C 185 ? 0.6475 0.9340 0.5829 0.0358 0.0224 0.0660 185 THR D C 4767 O O . THR C 185 ? 0.6384 0.9046 0.5749 0.0325 0.0212 0.0636 185 THR D O 4768 C CB . THR C 185 ? 0.6597 0.9667 0.5843 0.0424 0.0249 0.0628 185 THR D CB 4769 O OG1 . THR C 185 ? 0.6535 0.9430 0.5796 0.0415 0.0243 0.0632 185 THR D OG1 4770 C CG2 . THR C 185 ? 0.6712 0.9897 0.5835 0.0451 0.0265 0.0542 185 THR D CG2 4771 N N . SER C 186 ? 0.6537 0.9548 0.5979 0.0384 0.0230 0.0764 186 SER D N 4772 C CA . SER C 186 ? 0.6531 0.9462 0.6095 0.0379 0.0227 0.0871 186 SER D CA 4773 C C . SER C 186 ? 0.6589 0.9705 0.6245 0.0428 0.0243 0.1011 186 SER D C 4774 O O . SER C 186 ? 0.6413 0.9751 0.6043 0.0470 0.0256 0.1031 186 SER D O 4775 C CB . SER C 186 ? 0.6463 0.9364 0.6049 0.0368 0.0226 0.0871 186 SER D CB 4776 O OG . SER C 186 ? 0.6346 0.9116 0.6034 0.0360 0.0225 0.0952 186 SER D OG 4777 N N . SER C 187 ? 0.6852 0.9880 0.6613 0.0417 0.0242 0.1107 187 SER D N 4778 C CA . SER C 187 ? 0.7030 1.0217 0.6894 0.0456 0.0260 0.1256 187 SER D CA 4779 C C . SER C 187 ? 0.7362 1.0419 0.7345 0.0434 0.0265 0.1355 187 SER D C 4780 O O . SER C 187 ? 0.7394 1.0225 0.7382 0.0384 0.0249 0.1304 187 SER D O 4781 C CB . SER C 187 ? 0.7023 1.0283 0.6885 0.0468 0.0260 0.1279 187 SER D CB 4782 O OG . SER C 187 ? 0.6997 1.0083 0.6909 0.0421 0.0246 0.1291 187 SER D OG 4783 N N . VAL C 188 ? 0.7688 1.0890 0.7764 0.0473 0.0289 0.1495 188 VAL D N 4784 C CA . VAL C 188 ? 0.7983 1.1068 0.8178 0.0458 0.0303 0.1606 188 VAL D CA 4785 C C . VAL C 188 ? 0.8470 1.1711 0.8765 0.0483 0.0325 0.1759 188 VAL D C 4786 O O . VAL C 188 ? 0.8365 1.1858 0.8652 0.0543 0.0341 0.1814 188 VAL D O 4787 C CB . VAL C 188 ? 0.7910 1.0973 0.8116 0.0487 0.0321 0.1628 188 VAL D CB 4788 C CG1 . VAL C 188 ? 0.7933 1.1283 0.8123 0.0562 0.0344 0.1683 188 VAL D CG1 4789 C CG2 . VAL C 188 ? 0.7952 1.0855 0.8271 0.0474 0.0341 0.1735 188 VAL D CG2 4790 N N . THR C 189 ? 0.9015 1.2114 0.9403 0.0434 0.0324 0.1827 189 THR D N 4791 C CA . THR C 189 ? 0.9489 1.2717 0.9984 0.0444 0.0345 0.1978 189 THR D CA 4792 C C . THR C 189 ? 0.9788 1.2938 1.0395 0.0447 0.0379 0.2110 189 THR D C 4793 O O . THR C 189 ? 0.9836 1.2737 1.0482 0.0390 0.0375 0.2095 189 THR D O 4794 C CB . THR C 189 ? 0.9623 1.2780 1.0144 0.0379 0.0322 0.1968 189 THR D CB 4795 O OG1 . THR C 189 ? 1.0108 1.2996 1.0673 0.0302 0.0309 0.1942 189 THR D OG1 4796 C CG2 . THR C 189 ? 0.9571 1.2768 0.9973 0.0384 0.0294 0.1834 189 THR D CG2 4797 N N . VAL C 190 ? 1.0030 1.3394 1.0685 0.0519 0.0415 0.2236 190 VAL D N 4798 C CA . VAL C 190 ? 1.0346 1.3659 1.1106 0.0541 0.0458 0.2380 190 VAL D CA 4799 C C . VAL C 190 ? 1.0582 1.4075 1.1451 0.0560 0.0487 0.2554 190 VAL D C 4800 O O . VAL C 190 ? 1.0578 1.4292 1.1425 0.0580 0.0477 0.2561 190 VAL D O 4801 C CB . VAL C 190 ? 1.0311 1.3717 1.1035 0.0623 0.0484 0.2392 190 VAL D CB 4802 C CG1 . VAL C 190 ? 1.0365 1.3557 1.1010 0.0597 0.0462 0.2248 190 VAL D CG1 4803 C CG2 . VAL C 190 ? 1.0105 1.3846 1.0764 0.0696 0.0483 0.2385 190 VAL D CG2 4804 N N . PRO C 191 ? 1.0899 1.4295 1.1882 0.0557 0.0528 0.2696 191 PRO D N 4805 C CA . PRO C 191 ? 1.1013 1.4594 1.2104 0.0577 0.0561 0.2874 191 PRO D CA 4806 C C . PRO C 191 ? 1.1053 1.4990 1.2129 0.0687 0.0585 0.2957 191 PRO D C 4807 O O . PRO C 191 ? 1.0784 1.4807 1.1789 0.0754 0.0591 0.2910 191 PRO D O 4808 C CB . PRO C 191 ? 1.1112 1.4475 1.2315 0.0554 0.0605 0.2997 191 PRO D CB 4809 C CG . PRO C 191 ? 1.1115 1.4142 1.2274 0.0483 0.0580 0.2860 191 PRO D CG 4810 C CD . PRO C 191 ? 1.1024 1.4112 1.2046 0.0521 0.0545 0.2698 191 PRO D CD 4811 N N . SER C 192 ? 1.1397 1.5551 1.2539 0.0701 0.0599 0.3076 192 SER D N 4812 C CA . SER C 192 ? 1.1652 1.6170 1.2791 0.0804 0.0624 0.3172 192 SER D CA 4813 C C . SER C 192 ? 1.1814 1.6389 1.3031 0.0879 0.0683 0.3333 192 SER D C 4814 O O . SER C 192 ? 1.1847 1.6715 1.3041 0.0975 0.0705 0.3390 192 SER D O 4815 C CB . SER C 192 ? 1.1713 1.6444 1.2910 0.0800 0.0626 0.3270 192 SER D CB 4816 O OG . SER C 192 ? 1.1634 1.6271 1.2792 0.0723 0.0581 0.3157 192 SER D OG 4817 N N . SER C 193 ? 1.1997 1.6299 1.3305 0.0836 0.0713 0.3410 193 SER D N 4818 C CA . SER C 193 ? 1.2109 1.6396 1.3481 0.0909 0.0774 0.3551 193 SER D CA 4819 C C . SER C 193 ? 1.2096 1.6354 1.3369 0.0965 0.0769 0.3445 193 SER D C 4820 O O . SER C 193 ? 1.1951 1.6418 1.3223 0.1069 0.0806 0.3531 193 SER D O 4821 C CB . SER C 193 ? 1.2320 1.6272 1.3802 0.0837 0.0806 0.3638 193 SER D CB 4822 O OG . SER C 193 ? 1.2353 1.6307 1.3921 0.0758 0.0800 0.3709 193 SER D OG 4823 N N . THR C 194 ? 1.2058 1.6075 1.3249 0.0896 0.0724 0.3262 194 THR D N 4824 C CA . THR C 194 ? 1.1909 1.5855 1.3008 0.0930 0.0716 0.3150 194 THR D CA 4825 C C . THR C 194 ? 1.1674 1.5932 1.2665 0.0991 0.0691 0.3064 194 THR D C 4826 O O . THR C 194 ? 1.1466 1.5864 1.2430 0.1072 0.0715 0.3092 194 THR D O 4827 C CB . THR C 194 ? 1.1860 1.5466 1.2901 0.0833 0.0672 0.2976 194 THR D CB 4828 O OG1 . THR C 194 ? 1.1876 1.5186 1.3011 0.0767 0.0692 0.3039 194 THR D OG1 4829 C CG2 . THR C 194 ? 1.1787 1.5317 1.2741 0.0868 0.0667 0.2870 194 THR D CG2 4830 N N . TRP C 195 ? 1.1681 1.6047 1.2607 0.0951 0.0645 0.2959 195 TRP D N 4831 C CA . TRP C 195 ? 1.1632 1.6222 1.2432 0.0982 0.0614 0.2829 195 TRP D CA 4832 C C . TRP C 195 ? 1.1806 1.6766 1.2605 0.1089 0.0646 0.2928 195 TRP D C 4833 O O . TRP C 195 ? 1.2172 1.7200 1.2918 0.1132 0.0651 0.2889 195 TRP D O 4834 C CB . TRP C 195 ? 1.1362 1.5983 1.2093 0.0926 0.0567 0.2708 195 TRP D CB 4835 C CG . TRP C 195 ? 1.1041 1.5985 1.1674 0.0977 0.0553 0.2644 195 TRP D CG 4836 C CD1 . TRP C 195 ? 1.0997 1.6161 1.1622 0.0996 0.0549 0.2670 195 TRP D CD1 4837 C CD2 . TRP C 195 ? 1.0680 1.5765 1.1207 0.1011 0.0542 0.2541 195 TRP D CD2 4838 N NE1 . TRP C 195 ? 1.0714 1.6132 1.1229 0.1041 0.0537 0.2582 195 TRP D NE1 4839 C CE2 . TRP C 195 ? 1.0598 1.5977 1.1054 0.1046 0.0532 0.2503 195 TRP D CE2 4840 C CE3 . TRP C 195 ? 1.0540 1.5541 1.1026 0.1015 0.0541 0.2477 195 TRP D CE3 4841 C CZ2 . TRP C 195 ? 1.0484 1.6061 1.0828 0.1073 0.0519 0.2395 195 TRP D CZ2 4842 C CZ3 . TRP C 195 ? 1.0512 1.5727 1.0893 0.1042 0.0528 0.2381 195 TRP D CZ3 4843 C CH2 . TRP C 195 ? 1.0501 1.5998 1.0811 0.1066 0.0516 0.2337 195 TRP D CH2 4844 N N . PRO C 196 ? 1.1851 1.7066 1.2709 0.1134 0.0668 0.3060 196 PRO D N 4845 C CA . PRO C 196 ? 1.1865 1.7459 1.2712 0.1238 0.0696 0.3145 196 PRO D CA 4846 C C . PRO C 196 ? 1.1937 1.7532 1.2831 0.1308 0.0742 0.3250 196 PRO D C 4847 O O . PRO C 196 ? 1.1965 1.7785 1.2793 0.1367 0.0743 0.3217 196 PRO D O 4848 C CB . PRO C 196 ? 1.1890 1.7692 1.2827 0.1272 0.0723 0.3308 196 PRO D CB 4849 C CG . PRO C 196 ? 1.1882 1.7472 1.2832 0.1178 0.0691 0.3249 196 PRO D CG 4850 C CD . PRO C 196 ? 1.1958 1.7146 1.2906 0.1099 0.0675 0.3158 196 PRO D CD 4851 N N . SER C 197 ? 1.1979 1.7317 1.2979 0.1298 0.0780 0.3369 197 SER D N 4852 C CA . SER C 197 ? 1.1901 1.7194 1.2952 0.1371 0.0834 0.3483 197 SER D CA 4853 C C . SER C 197 ? 1.1672 1.6841 1.2628 0.1364 0.0811 0.3335 197 SER D C 4854 O O . SER C 197 ? 1.1684 1.7095 1.2598 0.1443 0.0825 0.3348 197 SER D O 4855 C CB . SER C 197 ? 1.2036 1.7025 1.3213 0.1349 0.0880 0.3624 197 SER D CB 4856 O OG . SER C 197 ? 1.2055 1.6678 1.3220 0.1232 0.0842 0.3499 197 SER D OG 4857 N N . GLN C 198 ? 1.1380 1.6196 1.2302 0.1270 0.0776 0.3197 198 GLN D N 4858 C CA . GLN C 198 ? 1.1215 1.5897 1.2048 0.1255 0.0753 0.3051 198 GLN D CA 4859 C C . GLN C 198 ? 1.0854 1.5739 1.1558 0.1230 0.0697 0.2877 198 GLN D C 4860 O O . GLN C 198 ? 1.0746 1.5805 1.1421 0.1210 0.0672 0.2841 198 GLN D O 4861 C CB . GLN C 198 ? 1.1229 1.5472 1.2067 0.1163 0.0734 0.2961 198 GLN D CB 4862 C CG . GLN C 198 ? 1.1335 1.5324 1.2256 0.1196 0.0790 0.3079 198 GLN D CG 4863 C CD . GLN C 198 ? 1.1399 1.5239 1.2439 0.1167 0.0824 0.3218 198 GLN D CD 4864 O OE1 . GLN C 198 ? 1.1414 1.4912 1.2484 0.1090 0.0819 0.3184 198 GLN D OE1 4865 N NE2 . GLN C 198 ? 1.1296 1.5401 1.2405 0.1226 0.0857 0.3377 198 GLN D NE2 4866 N N . THR C 199 ? 1.0641 1.5503 1.1267 0.1232 0.0683 0.2771 199 THR D N 4867 C CA . THR C 199 ? 1.0278 1.5281 1.0779 0.1193 0.0631 0.2591 199 THR D CA 4868 C C . THR C 199 ? 1.0160 1.4823 1.0603 0.1088 0.0586 0.2420 199 THR D C 4869 O O . THR C 199 ? 1.0121 1.4538 1.0569 0.1073 0.0591 0.2394 199 THR D O 4870 C CB . THR C 199 ? 1.0054 1.5280 1.0503 0.1254 0.0642 0.2580 199 THR D CB 4871 O OG1 . THR C 199 ? 0.9785 1.5305 1.0303 0.1362 0.0693 0.2764 199 THR D OG1 4872 C CG2 . THR C 199 ? 0.9887 1.5311 1.0210 0.1208 0.0593 0.2407 199 THR D CG2 4873 N N . VAL C 200 ? 0.9983 1.4636 1.0370 0.1022 0.0545 0.2312 200 VAL D N 4874 C CA . VAL C 200 ? 0.9883 1.4264 1.0199 0.0929 0.0500 0.2140 200 VAL D CA 4875 C C . VAL C 200 ? 0.9657 1.4163 0.9849 0.0909 0.0469 0.1984 200 VAL D C 4876 O O . VAL C 200 ? 0.9574 1.4375 0.9715 0.0937 0.0466 0.1969 200 VAL D O 4877 C CB . VAL C 200 ? 0.9974 1.4277 1.0293 0.0873 0.0477 0.2107 200 VAL D CB 4878 C CG1 . VAL C 200 ? 0.9970 1.4021 1.0207 0.0785 0.0433 0.1931 200 VAL D CG1 4879 C CG2 . VAL C 200 ? 1.0077 1.4257 1.0523 0.0875 0.0505 0.2257 200 VAL D CG2 4880 N N . THR C 201 ? 0.9542 1.3824 0.9683 0.0859 0.0448 0.1870 201 THR D N 4881 C CA . THR C 201 ? 0.9395 1.3760 0.9423 0.0827 0.0420 0.1721 201 THR D CA 4882 C C . THR C 201 ? 0.9341 1.3394 0.9313 0.0743 0.0386 0.1576 201 THR D C 4883 O O . THR C 201 ? 0.9337 1.3154 0.9349 0.0734 0.0393 0.1592 201 THR D O 4884 C CB . THR C 201 ? 0.9348 1.3867 0.9381 0.0884 0.0442 0.1769 201 THR D CB 4885 O OG1 . THR C 201 ? 0.9309 1.4136 0.9396 0.0971 0.0477 0.1915 201 THR D OG1 4886 C CG2 . THR C 201 ? 0.9293 1.3917 0.9212 0.0840 0.0412 0.1616 201 THR D CG2 4887 N N . CYS C 202 ? 0.9240 1.3288 0.9118 0.0685 0.0354 0.1438 202 CYS D N 4888 C CA . CYS C 202 ? 0.9269 1.3054 0.9082 0.0609 0.0324 0.1296 202 CYS D CA 4889 C C . CYS C 202 ? 0.9053 1.2890 0.8798 0.0593 0.0316 0.1211 202 CYS D C 4890 O O . CYS C 202 ? 0.8968 1.3077 0.8679 0.0619 0.0322 0.1212 202 CYS D O 4891 C CB . CYS C 202 ? 0.9319 1.3057 0.9057 0.0560 0.0300 0.1189 202 CYS D CB 4892 S SG . CYS C 202 ? 0.9525 1.3469 0.9125 0.0534 0.0285 0.1048 202 CYS D SG 4893 N N . ASN C 203 ? 0.8859 1.2448 0.8585 0.0549 0.0302 0.1139 203 ASN D N 4894 C CA . ASN C 203 ? 0.8617 1.2227 0.8289 0.0530 0.0294 0.1065 203 ASN D CA 4895 C C . ASN C 203 ? 0.8241 1.1679 0.7819 0.0445 0.0263 0.0905 203 ASN D C 4896 O O . ASN C 203 ? 0.8110 1.1282 0.7697 0.0413 0.0252 0.0871 203 ASN D O 4897 C CB . ASN C 203 ? 0.8659 1.2135 0.8399 0.0568 0.0313 0.1141 203 ASN D CB 4898 C CG . ASN C 203 ? 0.8724 1.2351 0.8556 0.0658 0.0352 0.1308 203 ASN D CG 4899 O OD1 . ASN C 203 ? 0.8749 1.2225 0.8663 0.0684 0.0372 0.1402 203 ASN D OD1 4900 N ND2 . ASN C 203 ? 0.8848 1.2782 0.8667 0.0705 0.0366 0.1348 203 ASN D ND2 4901 N N . VAL C 204 ? 0.7968 1.1561 0.7455 0.0410 0.0251 0.0809 204 VAL D N 4902 C CA . VAL C 204 ? 0.7869 1.1314 0.7259 0.0330 0.0228 0.0658 204 VAL D CA 4903 C C . VAL C 204 ? 0.7784 1.1247 0.7124 0.0290 0.0219 0.0584 204 VAL D C 4904 O O . VAL C 204 ? 0.7832 1.1538 0.7173 0.0312 0.0227 0.0613 204 VAL D O 4905 C CB . VAL C 204 ? 0.7784 1.1364 0.7095 0.0309 0.0224 0.0588 204 VAL D CB 4906 C CG1 . VAL C 204 ? 0.7759 1.1171 0.6962 0.0230 0.0207 0.0433 204 VAL D CG1 4907 C CG2 . VAL C 204 ? 0.7755 1.1332 0.7114 0.0353 0.0233 0.0665 204 VAL D CG2 4908 N N . ALA C 205 ? 0.7656 1.0879 0.6955 0.0234 0.0204 0.0495 205 ALA D N 4909 C CA . ALA C 205 ? 0.7563 1.0789 0.6811 0.0186 0.0195 0.0417 205 ALA D CA 4910 C C . ALA C 205 ? 0.7470 1.0509 0.6627 0.0103 0.0180 0.0280 205 ALA D C 4911 O O . ALA C 205 ? 0.7276 1.0083 0.6436 0.0095 0.0175 0.0263 205 ALA D O 4912 C CB . ALA C 205 ? 0.7488 1.0615 0.6801 0.0220 0.0201 0.0480 205 ALA D CB 4913 N N . HIS C 206 ? 0.7453 1.0605 0.6530 0.0043 0.0174 0.0187 206 HIS D N 4914 C CA . HIS C 206 ? 0.7477 1.0462 0.6462 -0.0040 0.0165 0.0057 206 HIS D CA 4915 C C . HIS C 206 ? 0.7640 1.0667 0.6601 -0.0091 0.0158 0.0011 206 HIS D C 4916 O O . HIS C 206 ? 0.7669 1.0892 0.6579 -0.0139 0.0156 -0.0041 206 HIS D O 4917 C CB . HIS C 206 ? 0.7281 1.0349 0.6178 -0.0078 0.0168 -0.0025 206 HIS D CB 4918 C CG . HIS C 206 ? 0.7214 1.0058 0.6019 -0.0149 0.0168 -0.0146 206 HIS D CG 4919 N ND1 . HIS C 206 ? 0.7096 0.9957 0.5815 -0.0236 0.0167 -0.0256 206 HIS D ND1 4920 C CD2 . HIS C 206 ? 0.7236 0.9836 0.6023 -0.0144 0.0173 -0.0168 206 HIS D CD2 4921 C CE1 . HIS C 206 ? 0.7132 0.9753 0.5781 -0.0278 0.0174 -0.0339 206 HIS D CE1 4922 N NE2 . HIS C 206 ? 0.7191 0.9657 0.5879 -0.0219 0.0178 -0.0286 206 HIS D NE2 4923 N N . PRO C 207 ? 0.7810 1.0669 0.6809 -0.0082 0.0155 0.0033 207 PRO D N 4924 C CA . PRO C 207 ? 0.7920 1.0829 0.6905 -0.0120 0.0150 0.0004 207 PRO D CA 4925 C C . PRO C 207 ? 0.8012 1.0937 0.6898 -0.0224 0.0145 -0.0119 207 PRO D C 4926 O O . PRO C 207 ? 0.7983 1.1114 0.6852 -0.0262 0.0141 -0.0138 207 PRO D O 4927 C CB . PRO C 207 ? 0.7945 1.0603 0.6965 -0.0100 0.0148 0.0022 207 PRO D CB 4928 C CG . PRO C 207 ? 0.7862 1.0425 0.6949 -0.0029 0.0153 0.0104 207 PRO D CG 4929 C CD . PRO C 207 ? 0.7845 1.0475 0.6902 -0.0036 0.0155 0.0086 207 PRO D CD 4930 N N . GLY C 208 ? 0.8157 1.0876 0.6982 -0.0269 0.0146 -0.0199 208 GLY D N 4931 C CA . GLY C 208 ? 0.8351 1.1031 0.7075 -0.0370 0.0148 -0.0322 208 GLY D CA 4932 C C . GLY C 208 ? 0.8652 1.1600 0.7328 -0.0429 0.0145 -0.0372 208 GLY D C 4933 O O . GLY C 208 ? 0.8950 1.1900 0.7564 -0.0523 0.0144 -0.0458 208 GLY D O 4934 N N . GLN C 209 ? 0.8934 1.2116 0.7639 -0.0379 0.0145 -0.0318 209 GLN D N 4935 C CA . GLN C 209 ? 0.9195 1.2684 0.7863 -0.0427 0.0141 -0.0354 209 GLN D CA 4936 C C . GLN C 209 ? 0.9009 1.2802 0.7759 -0.0344 0.0140 -0.0235 209 GLN D C 4937 O O . GLN C 209 ? 0.8613 1.2673 0.7343 -0.0347 0.0139 -0.0240 209 GLN D O 4938 C CB . GLN C 209 ? 0.9592 1.3083 0.8162 -0.0483 0.0147 -0.0460 209 GLN D CB 4939 C CG . GLN C 209 ? 0.9902 1.3521 0.8485 -0.0409 0.0153 -0.0413 209 GLN D CG 4940 C CD . GLN C 209 ? 0.9985 1.3471 0.8654 -0.0301 0.0158 -0.0299 209 GLN D CD 4941 O OE1 . GLN C 209 ? 1.0418 1.3693 0.9062 -0.0285 0.0166 -0.0321 209 GLN D OE1 4942 N NE2 . GLN C 209 ? 0.9938 1.3548 0.8707 -0.0227 0.0156 -0.0176 209 GLN D NE2 4943 N N . GLN C 210 ? 0.9244 1.2992 0.8081 -0.0270 0.0142 -0.0132 210 GLN D N 4944 C CA . GLN C 210 ? 0.9467 1.3470 0.8385 -0.0184 0.0148 -0.0008 210 GLN D CA 4945 C C . GLN C 210 ? 0.9464 1.3677 0.8415 -0.0110 0.0157 0.0068 210 GLN D C 4946 O O . GLN C 210 ? 0.9237 1.3775 0.8203 -0.0088 0.0160 0.0113 210 GLN D O 4947 C CB . GLN C 210 ? 0.9657 1.3900 0.8562 -0.0231 0.0142 -0.0024 210 GLN D CB 4948 C CG . GLN C 210 ? 0.9989 1.4506 0.8820 -0.0321 0.0132 -0.0111 210 GLN D CG 4949 C CD . GLN C 210 ? 1.0282 1.4667 0.9020 -0.0462 0.0121 -0.0261 210 GLN D CD 4950 O OE1 . GLN C 210 ? 1.0474 1.4549 0.9195 -0.0490 0.0122 -0.0303 210 GLN D OE1 4951 N NE2 . GLN C 210 ? 1.0361 1.4989 0.9035 -0.0553 0.0112 -0.0342 210 GLN D NE2 4952 N N . HIS C 211 ? 0.9716 1.3755 0.8683 -0.0070 0.0163 0.0090 211 HIS D N 4953 C CA . HIS C 211 ? 0.9826 1.4036 0.8833 0.0006 0.0175 0.0177 211 HIS D CA 4954 C C . HIS C 211 ? 0.9698 1.3775 0.8809 0.0106 0.0189 0.0311 211 HIS D C 4955 O O . HIS C 211 ? 0.9381 1.3162 0.8507 0.0102 0.0186 0.0301 211 HIS D O 4956 C CB . HIS C 211 ? 0.9923 1.4095 0.8857 -0.0029 0.0172 0.0093 211 HIS D CB 4957 C CG . HIS C 211 ? 1.0273 1.4699 0.9122 -0.0096 0.0165 0.0000 211 HIS D CG 4958 N ND1 . HIS C 211 ? 1.0522 1.5092 0.9329 -0.0085 0.0169 -0.0022 211 HIS D ND1 4959 C CD2 . HIS C 211 ? 1.0428 1.5005 0.9225 -0.0177 0.0154 -0.0076 211 HIS D CD2 4960 C CE1 . HIS C 211 ? 1.0423 1.5209 0.9150 -0.0159 0.0161 -0.0117 211 HIS D CE1 4961 N NE2 . HIS C 211 ? 1.0443 1.5241 0.9166 -0.0220 0.0151 -0.0150 211 HIS D NE2 4962 N N . GLN C 212 ? 0.9809 1.4116 0.8990 0.0192 0.0205 0.0436 212 GLN D N 4963 C CA . GLN C 212 ? 0.9979 1.4196 0.9263 0.0288 0.0226 0.0577 212 GLN D CA 4964 C C . GLN C 212 ? 0.9851 1.4313 0.9172 0.0355 0.0242 0.0670 212 GLN D C 4965 O O . GLN C 212 ? 0.9492 1.4245 0.8841 0.0407 0.0256 0.0748 212 GLN D O 4966 C CB . GLN C 212 ? 1.0191 1.4435 0.9531 0.0340 0.0240 0.0656 212 GLN D CB 4967 C CG . GLN C 212 ? 1.0431 1.4582 0.9875 0.0442 0.0268 0.0804 212 GLN D CG 4968 C CD . GLN C 212 ? 1.0672 1.4457 1.0138 0.0426 0.0262 0.0787 212 GLN D CD 4969 O OE1 . GLN C 212 ? 1.1046 1.4622 1.0479 0.0376 0.0247 0.0706 212 GLN D OE1 4970 N NE2 . GLN C 212 ? 1.0612 1.4334 1.0138 0.0468 0.0275 0.0868 212 GLN D NE2 4971 N N . ARG C 213 ? 1.0035 1.4392 0.9355 0.0356 0.0241 0.0666 213 ARG D N 4972 C CA . ARG C 213 ? 1.0243 1.4833 0.9585 0.0410 0.0253 0.0739 213 ARG D CA 4973 C C . ARG C 213 ? 1.0101 1.4635 0.9555 0.0499 0.0278 0.0898 213 ARG D C 4974 O O . ARG C 213 ? 0.9720 1.3973 0.9222 0.0501 0.0280 0.0924 213 ARG D O 4975 C CB . ARG C 213 ? 1.0416 1.4975 0.9674 0.0357 0.0239 0.0629 213 ARG D CB 4976 C CG . ARG C 213 ? 1.0673 1.5434 0.9821 0.0289 0.0225 0.0502 213 ARG D CG 4977 C CD . ARG C 213 ? 1.0935 1.5825 1.0029 0.0294 0.0227 0.0466 213 ARG D CD 4978 N NE . ARG C 213 ? 1.1181 1.6231 1.0159 0.0218 0.0215 0.0324 213 ARG D NE 4979 C CZ . ARG C 213 ? 1.1231 1.6453 1.0142 0.0219 0.0217 0.0275 213 ARG D CZ 4980 N NH1 . ARG C 213 ? 1.1167 1.6447 1.0122 0.0296 0.0231 0.0364 213 ARG D NH1 4981 N NH2 . ARG C 213 ? 1.1312 1.6657 1.0112 0.0138 0.0205 0.0134 213 ARG D NH2 4982 N N . TRP C 214 ? 1.0421 1.5239 0.9916 0.0568 0.0298 0.1003 214 TRP D N 4983 C CA . TRP C 214 ? 1.0635 1.5447 1.0235 0.0651 0.0326 0.1163 214 TRP D CA 4984 C C . TRP C 214 ? 1.0245 1.5326 0.9838 0.0685 0.0333 0.1202 214 TRP D C 4985 O O . TRP C 214 ? 1.0108 1.5519 0.9682 0.0715 0.0340 0.1225 214 TRP D O 4986 C CB . TRP C 214 ? 1.1130 1.6018 1.0814 0.0732 0.0357 0.1302 214 TRP D CB 4987 C CG . TRP C 214 ? 1.1681 1.6962 1.1353 0.0778 0.0370 0.1346 214 TRP D CG 4988 C CD1 . TRP C 214 ? 1.1836 1.7409 1.1566 0.0868 0.0400 0.1488 214 TRP D CD1 4989 C CD2 . TRP C 214 ? 1.1967 1.7405 1.1567 0.0734 0.0352 0.1252 214 TRP D CD2 4990 N NE1 . TRP C 214 ? 1.1912 1.7823 1.1609 0.0887 0.0402 0.1487 214 TRP D NE1 4991 C CE2 . TRP C 214 ? 1.2032 1.7870 1.1650 0.0802 0.0372 0.1342 214 TRP D CE2 4992 C CE3 . TRP C 214 ? 1.1889 1.7181 1.1414 0.0643 0.0323 0.1105 214 TRP D CE3 4993 C CZ2 . TRP C 214 ? 1.2084 1.8187 1.1647 0.0776 0.0360 0.1286 214 TRP D CZ2 4994 C CZ3 . TRP C 214 ? 1.1957 1.7501 1.1429 0.0614 0.0313 0.1051 214 TRP D CZ3 4995 C CH2 . TRP C 214 ? 1.2059 1.8009 1.1550 0.0678 0.0331 0.1140 214 TRP D CH2 4996 N N . THR C 215 ? 1.0104 1.5060 0.9708 0.0679 0.0330 0.1205 215 THR D N 4997 C CA . THR C 215 ? 0.9961 1.5163 0.9566 0.0722 0.0341 0.1258 215 THR D CA 4998 C C . THR C 215 ? 0.9657 1.4842 0.9389 0.0797 0.0371 0.1441 215 THR D C 4999 O O . THR C 215 ? 0.9296 1.4211 0.9075 0.0779 0.0370 0.1462 215 THR D O 5000 C CB . THR C 215 ? 0.9968 1.5089 0.9483 0.0667 0.0319 0.1129 215 THR D CB 5001 O OG1 . THR C 215 ? 1.0211 1.5193 0.9620 0.0581 0.0294 0.0957 215 THR D OG1 5002 C CG2 . THR C 215 ? 0.9917 1.5371 0.9391 0.0704 0.0326 0.1137 215 THR D CG2 5003 N N . ARG C 216 ? 0.9645 1.5125 0.9433 0.0879 0.0400 0.1575 216 ARG D N 5004 C CA . ARG C 216 ? 0.9751 1.5260 0.9658 0.0953 0.0435 0.1760 216 ARG D CA 5005 C C . ARG C 216 ? 0.9803 1.5365 0.9696 0.0948 0.0428 0.1753 216 ARG D C 5006 O O . ARG C 216 ? 0.9933 1.5703 0.9737 0.0937 0.0413 0.1664 216 ARG D O 5007 C CB . ARG C 216 ? 0.9694 1.5539 0.9655 0.1048 0.0470 0.1905 216 ARG D CB 5008 N N . LYS C 217 ? 0.9841 1.5214 0.9820 0.0953 0.0440 0.1842 217 LYS D N 5009 C CA . LYS C 217 ? 0.9876 1.5298 0.9856 0.0955 0.0437 0.1857 217 LYS D CA 5010 C C . LYS C 217 ? 0.9911 1.5692 0.9943 0.1043 0.0468 0.2003 217 LYS D C 5011 O O . LYS C 217 ? 0.9976 1.5823 1.0110 0.1104 0.0503 0.2164 217 LYS D O 5012 C CB . LYS C 217 ? 0.9988 1.5120 1.0056 0.0929 0.0440 0.1922 217 LYS D CB 5013 C CG . LYS C 217 ? 1.0064 1.4836 1.0096 0.0846 0.0412 0.1796 217 LYS D CG 5014 C CD . LYS C 217 ? 1.0092 1.4826 0.9995 0.0792 0.0378 0.1616 217 LYS D CD 5015 C CE . LYS C 217 ? 1.0144 1.4898 0.9947 0.0761 0.0361 0.1483 217 LYS D CE 5016 N NZ . LYS C 217 ? 1.0199 1.5033 0.9873 0.0730 0.0341 0.1333 217 LYS D NZ 5017 N N . LEU C 218 ? 1.0012 1.6021 0.9973 0.1054 0.0459 0.1950 218 LEU D N 5018 C CA . LEU C 218 ? 1.0123 1.6498 1.0125 0.1140 0.0486 0.2083 218 LEU D CA 5019 C C . LEU C 218 ? 1.0178 1.6527 1.0243 0.1157 0.0497 0.2174 218 LEU D C 5020 O O . LEU C 218 ? 0.9898 1.6087 0.9907 0.1107 0.0474 0.2068 218 LEU D O 5021 C CB . LEU C 218 ? 1.0147 1.6828 1.0023 0.1146 0.0471 0.1965 218 LEU D CB 5022 C CG . LEU C 218 ? 1.0140 1.6839 0.9923 0.1099 0.0449 0.1825 218 LEU D CG 5023 C CD1 . LEU C 218 ? 1.0140 1.7177 0.9807 0.1104 0.0437 0.1722 218 LEU D CD1 5024 C CD2 . LEU C 218 ? 1.0091 1.6829 0.9958 0.1140 0.0472 0.1942 218 LEU D CD2 5025 N N . CYS C 219 ? 1.0505 1.7012 1.0690 0.1229 0.0536 0.2375 219 CYS D N 5026 C CA . CYS C 219 ? 1.0645 1.7225 1.0894 0.1255 0.0550 0.2482 219 CYS D CA 5027 C C . CYS C 219 ? 1.0669 1.7676 1.0878 0.1331 0.0562 0.2520 219 CYS D C 5028 O O . CYS C 219 ? 1.0720 1.7840 1.0802 0.1317 0.0537 0.2367 219 CYS D O 5029 C CB . CYS C 219 ? 1.0688 1.7146 1.1100 0.1276 0.0587 0.2687 219 CYS D CB 5030 S SG . CYS C 219 ? 1.0912 1.7214 1.1403 0.1292 0.0616 0.2776 219 CYS D SG 5031 N N . ILE D 1 ? 0.8611 1.8569 0.9089 0.0803 -0.0495 0.0207 1 ILE A N 5032 C CA . ILE D 1 ? 0.8656 1.7998 0.9180 0.0547 -0.0538 0.0178 1 ILE A CA 5033 C C . ILE D 1 ? 0.8788 1.7528 0.9312 0.0494 -0.0536 0.0225 1 ILE A C 5034 O O . ILE D 1 ? 0.8881 1.7498 0.9390 0.0744 -0.0485 0.0256 1 ILE A O 5035 C CB . ILE D 1 ? 0.8657 1.7816 0.9182 0.0693 -0.0520 0.0207 1 ILE A CB 5036 C CG1 . ILE D 1 ? 0.8658 1.7314 0.9264 0.0427 -0.0578 0.0108 1 ILE A CG1 5037 C CG2 . ILE D 1 ? 0.8675 1.7515 0.9190 0.1046 -0.0447 0.0392 1 ILE A CG2 5038 C CD1 . ILE D 1 ? 0.8673 1.7370 0.9290 0.0534 -0.0571 0.0076 1 ILE A CD1 5039 N N . VAL D 2 ? 0.8831 1.7244 0.9427 0.0176 -0.0595 0.0218 2 VAL A N 5040 C CA . VAL D 2 ? 0.8884 1.6844 0.9483 0.0094 -0.0601 0.0281 2 VAL A CA 5041 C C . VAL D 2 ? 0.8944 1.6205 0.9580 0.0063 -0.0615 0.0293 2 VAL A C 5042 O O . VAL D 2 ? 0.9034 1.6147 0.9792 -0.0146 -0.0675 0.0256 2 VAL A O 5043 C CB . VAL D 2 ? 0.8794 1.7022 0.9487 -0.0244 -0.0662 0.0358 2 VAL A CB 5044 C CG1 . VAL D 2 ? 0.8690 1.6619 0.9377 -0.0309 -0.0666 0.0452 2 VAL A CG1 5045 C CG2 . VAL D 2 ? 0.8734 1.7763 0.9387 -0.0227 -0.0648 0.0344 2 VAL A CG2 5046 N N . CYS D 3 ? 0.9098 1.5959 0.9682 0.0275 -0.0562 0.0316 3 CYS A N 5047 C CA . CYS D 3 ? 0.9060 1.5300 0.9666 0.0268 -0.0565 0.0337 3 CYS A CA 5048 C C . CYS D 3 ? 0.8635 1.4565 0.9250 0.0169 -0.0576 0.0364 3 CYS A C 5049 O O . CYS D 3 ? 0.8553 1.4707 0.9145 0.0248 -0.0548 0.0332 3 CYS A O 5050 C CB . CYS D 3 ? 0.9458 1.5516 1.0052 0.0573 -0.0495 0.0380 3 CYS A CB 5051 S SG . CYS D 3 ? 1.0130 1.6777 1.0713 0.0795 -0.0460 0.0429 3 CYS A SG 5052 N N . HIS D 4 ? 0.8234 1.3732 0.8904 0.0012 -0.0619 0.0398 4 HIS A N 5053 C CA . HIS D 4 ? 0.7785 1.2991 0.8456 -0.0034 -0.0620 0.0436 4 HIS A CA 5054 C C . HIS D 4 ? 0.7739 1.2625 0.8381 0.0215 -0.0548 0.0370 4 HIS A C 5055 O O . HIS D 4 ? 0.7727 1.2479 0.8376 0.0368 -0.0514 0.0380 4 HIS A O 5056 C CB . HIS D 4 ? 0.7672 1.2513 0.8452 -0.0246 -0.0692 0.0510 4 HIS A CB 5057 C CG . HIS D 4 ? 0.7641 1.2703 0.8593 -0.0514 -0.0774 0.0608 4 HIS A CG 5058 N ND1 . HIS D 4 ? 0.7624 1.2602 0.8757 -0.0625 -0.0833 0.0537 4 HIS A ND1 5059 C CD2 . HIS D 4 ? 0.7698 1.3102 0.8732 -0.0706 -0.0812 0.0779 4 HIS A CD2 5060 C CE1 . HIS D 4 ? 0.7701 1.2860 0.9071 -0.0884 -0.0907 0.0659 4 HIS A CE1 5061 N NE2 . HIS D 4 ? 0.7711 1.3146 0.9012 -0.0942 -0.0893 0.0853 4 HIS A NE2 5062 N N . THR D 5 ? 0.7677 1.2518 0.8333 0.0249 -0.0527 0.0311 5 THR A N 5063 C CA . THR D 5 ? 0.7624 1.2129 0.8362 0.0453 -0.0465 0.0220 5 THR A CA 5064 C C . THR D 5 ? 0.7505 1.1789 0.8270 0.0367 -0.0474 0.0161 5 THR A C 5065 O O . THR D 5 ? 0.7522 1.2135 0.8250 0.0232 -0.0508 0.0146 5 THR A O 5066 C CB . THR D 5 ? 0.7692 1.2461 0.8543 0.0686 -0.0415 0.0081 5 THR A CB 5067 O OG1 . THR D 5 ? 0.7749 1.2153 0.8803 0.0839 -0.0370 -0.0035 5 THR A OG1 5068 C CG2 . THR D 5 ? 0.7697 1.3075 0.8508 0.0621 -0.0437 -0.0038 5 THR A CG2 5069 N N . THR D 6 ? 0.7381 1.1195 0.8227 0.0448 -0.0441 0.0151 6 THR A N 5070 C CA . THR D 6 ? 0.7295 1.0907 0.8192 0.0390 -0.0440 0.0064 6 THR A CA 5071 C C . THR D 6 ? 0.7396 1.0990 0.8516 0.0558 -0.0386 -0.0173 6 THR A C 5072 O O . THR D 6 ? 0.7094 1.0460 0.8330 0.0543 -0.0372 -0.0284 6 THR A O 5073 C CB . THR D 6 ? 0.7095 1.0239 0.7977 0.0341 -0.0446 0.0182 6 THR A CB 5074 O OG1 . THR D 6 ? 0.7056 0.9997 0.8017 0.0494 -0.0399 0.0262 6 THR A OG1 5075 C CG2 . THR D 6 ? 0.6839 1.0010 0.7606 0.0163 -0.0520 0.0318 6 THR A CG2 5076 N N . ALA D 7 ? 0.7853 1.1699 0.9086 0.0721 -0.0362 -0.0278 7 ALA A N 5077 C CA . ALA D 7 ? 0.8256 1.2196 0.9789 0.0883 -0.0330 -0.0593 7 ALA A CA 5078 C C . ALA D 7 ? 0.8508 1.2950 0.9984 0.0765 -0.0360 -0.0834 7 ALA A C 5079 O O . ALA D 7 ? 0.8701 1.3084 1.0381 0.0781 -0.0347 -0.1093 7 ALA A O 5080 C CB . ALA D 7 ? 0.8305 1.2515 0.9972 0.1090 -0.0312 -0.0657 7 ALA A CB 5081 N N . THR D 8 ? 0.8633 1.3634 0.9857 0.0633 -0.0400 -0.0724 8 THR A N 5082 C CA . THR D 8 ? 0.8720 1.4393 0.9864 0.0502 -0.0433 -0.0838 8 THR A CA 5083 C C . THR D 8 ? 0.8743 1.4248 0.9732 0.0285 -0.0470 -0.0591 8 THR A C 5084 O O . THR D 8 ? 0.8305 1.3194 0.9237 0.0233 -0.0477 -0.0365 8 THR A O 5085 C CB . THR D 8 ? 0.8642 1.5082 0.9639 0.0439 -0.0462 -0.0748 8 THR A CB 5086 O OG1 . THR D 8 ? 0.8469 1.4720 0.9283 0.0262 -0.0499 -0.0347 8 THR A OG1 5087 C CG2 . THR D 8 ? 0.8780 1.5430 0.9929 0.0677 -0.0430 -0.0988 8 THR A CG2 5088 N N . SER D 9 ? 0.9186 1.5335 1.0132 0.0176 -0.0498 -0.0640 9 SER A N 5089 C CA . SER D 9 ? 0.9402 1.5546 1.0238 -0.0019 -0.0544 -0.0353 9 SER A CA 5090 C C . SER D 9 ? 0.9521 1.6694 1.0287 -0.0151 -0.0584 -0.0231 9 SER A C 5091 O O . SER D 9 ? 0.9923 1.7805 1.0753 -0.0084 -0.0567 -0.0555 9 SER A O 5092 C CB . SER D 9 ? 0.9623 1.5397 1.0558 0.0015 -0.0522 -0.0542 9 SER A CB 5093 O OG . SER D 9 ? 0.9726 1.5057 1.0576 -0.0112 -0.0558 -0.0225 9 SER A OG 5094 N N . PRO D 10 ? 0.9278 1.6627 0.9972 -0.0339 -0.0640 0.0218 10 PRO A N 5095 C CA . PRO D 10 ? 0.9042 1.5657 0.9736 -0.0427 -0.0673 0.0521 10 PRO A CA 5096 C C . PRO D 10 ? 0.8876 1.5161 0.9556 -0.0318 -0.0642 0.0405 10 PRO A C 5097 O O . PRO D 10 ? 0.8538 1.5126 0.9221 -0.0160 -0.0596 0.0124 10 PRO A O 5098 C CB . PRO D 10 ? 0.9107 1.6235 0.9851 -0.0662 -0.0745 0.0979 10 PRO A CB 5099 C CG . PRO D 10 ? 0.9197 1.7064 0.9937 -0.0705 -0.0756 0.1031 10 PRO A CG 5100 C CD . PRO D 10 ? 0.9282 1.7489 0.9966 -0.0503 -0.0687 0.0491 10 PRO A CD 5101 N N . ILE D 11 ? 0.8848 1.4582 0.9550 -0.0398 -0.0675 0.0612 11 ILE A N 5102 C CA . ILE D 11 ? 0.8736 1.4096 0.9424 -0.0289 -0.0648 0.0519 11 ILE A CA 5103 C C . ILE D 11 ? 0.8662 1.4606 0.9332 -0.0326 -0.0654 0.0559 11 ILE A C 5104 O O . ILE D 11 ? 0.8701 1.4894 0.9434 -0.0538 -0.0714 0.0819 11 ILE A O 5105 C CB . ILE D 11 ? 0.8725 1.3468 0.9473 -0.0375 -0.0693 0.0670 11 ILE A CB 5106 C CG1 . ILE D 11 ? 0.8781 1.2970 0.9527 -0.0286 -0.0671 0.0581 11 ILE A CG1 5107 C CG2 . ILE D 11 ? 0.8699 1.3332 0.9441 -0.0314 -0.0682 0.0619 11 ILE A CG2 5108 C CD1 . ILE D 11 ? 0.8738 1.2989 0.9514 -0.0379 -0.0701 0.0672 11 ILE A CD1 5109 N N . SER D 12 ? 0.8680 1.4844 0.9321 -0.0120 -0.0597 0.0311 12 SER A N 5110 C CA . SER D 12 ? 0.8723 1.5509 0.9340 -0.0117 -0.0596 0.0305 12 SER A CA 5111 C C . SER D 12 ? 0.8709 1.5234 0.9321 -0.0107 -0.0601 0.0376 12 SER A C 5112 O O . SER D 12 ? 0.8506 1.4451 0.9127 0.0005 -0.0579 0.0334 12 SER A O 5113 C CB . SER D 12 ? 0.8769 1.5958 0.9419 0.0133 -0.0541 -0.0034 12 SER A CB 5114 O OG . SER D 12 ? 0.8637 1.6297 0.9312 0.0113 -0.0543 -0.0171 12 SER A OG 5115 N N . ALA D 13 ? 0.8809 1.5874 0.9421 -0.0233 -0.0628 0.0485 13 ALA A N 5116 C CA . ALA D 13 ? 0.8928 1.5942 0.9555 -0.0252 -0.0639 0.0519 13 ALA A CA 5117 C C . ALA D 13 ? 0.8999 1.6450 0.9569 -0.0011 -0.0586 0.0341 13 ALA A C 5118 O O . ALA D 13 ? 0.9095 1.7155 0.9658 -0.0089 -0.0600 0.0378 13 ALA A O 5119 C CB . ALA D 13 ? 0.8916 1.6217 0.9664 -0.0581 -0.0714 0.0759 13 ALA A CB 5120 N N . VAL D 14 ? 0.9114 1.6249 0.9696 0.0282 -0.0528 0.0166 14 VAL A N 5121 C CA . VAL D 14 ? 0.9364 1.6835 0.9990 0.0571 -0.0480 -0.0007 14 VAL A CA 5122 C C . VAL D 14 ? 0.9471 1.7049 1.0071 0.0643 -0.0474 0.0073 14 VAL A C 5123 O O . VAL D 14 ? 0.9516 1.6699 1.0100 0.0599 -0.0481 0.0180 14 VAL A O 5124 C CB . VAL D 14 ? 0.9496 1.6515 1.0279 0.0852 -0.0429 -0.0185 14 VAL A CB 5125 C CG1 . VAL D 14 ? 0.9681 1.6904 1.0629 0.1188 -0.0388 -0.0324 14 VAL A CG1 5126 C CG2 . VAL D 14 ? 0.9607 1.6752 1.0439 0.0801 -0.0436 -0.0362 14 VAL A CG2 5127 N N . THR D 15 ? 0.9600 1.7814 1.0203 0.0763 -0.0462 -0.0002 15 THR A N 5128 C CA . THR D 15 ? 0.9734 1.8184 1.0324 0.0882 -0.0450 0.0054 15 THR A CA 5129 C C . THR D 15 ? 1.0006 1.7994 1.0716 0.1205 -0.0399 0.0078 15 THR A C 5130 O O . THR D 15 ? 1.0109 1.7948 1.0997 0.1458 -0.0365 -0.0038 15 THR A O 5131 C CB . THR D 15 ? 0.9680 1.8965 1.0266 0.0976 -0.0446 -0.0040 15 THR A CB 5132 O OG1 . THR D 15 ? 0.9658 1.9444 1.0162 0.0632 -0.0495 0.0024 15 THR A OG1 5133 C CG2 . THR D 15 ? 0.9707 1.9275 1.0298 0.1167 -0.0426 0.0014 15 THR A CG2 5134 N N . CYS D 16 ? 1.0099 1.7914 1.0767 0.1186 -0.0399 0.0226 16 CYS A N 5135 C CA . CYS D 16 ? 1.0239 1.7732 1.1035 0.1461 -0.0352 0.0357 16 CYS A CA 5136 C C . CYS D 16 ? 1.0205 1.8168 1.1133 0.1786 -0.0319 0.0385 16 CYS A C 5137 O O . CYS D 16 ? 1.0204 1.8810 1.1025 0.1754 -0.0335 0.0370 16 CYS A O 5138 C CB . CYS D 16 ? 1.0252 1.7658 1.0955 0.1346 -0.0366 0.0491 16 CYS A CB 5139 S SG . CYS D 16 ? 1.0710 1.7329 1.1421 0.1208 -0.0372 0.0531 16 CYS A SG 5140 N N . PRO D 17 ? 1.0288 1.7939 1.1508 0.2098 -0.0278 0.0416 17 PRO A N 5141 C CA . PRO D 17 ? 1.0422 1.8491 1.1861 0.2436 -0.0257 0.0423 17 PRO A CA 5142 C C . PRO D 17 ? 1.0462 1.8910 1.1908 0.2609 -0.0237 0.0734 17 PRO A C 5143 O O . PRO D 17 ? 1.0392 1.8642 1.1781 0.2545 -0.0226 0.0957 17 PRO A O 5144 C CB . PRO D 17 ? 1.0651 1.8145 1.2520 0.2689 -0.0231 0.0359 17 PRO A CB 5145 C CG . PRO D 17 ? 1.0615 1.7434 1.2484 0.2547 -0.0218 0.0516 17 PRO A CG 5146 C CD . PRO D 17 ? 1.0371 1.7275 1.1807 0.2160 -0.0254 0.0463 17 PRO A CD 5147 N N . PRO D 18 ? 1.0555 1.9651 1.2071 0.2835 -0.0233 0.0744 18 PRO A N 5148 C CA . PRO D 18 ? 1.0641 2.0247 1.2199 0.3049 -0.0212 0.1061 18 PRO A CA 5149 C C . PRO D 18 ? 1.0860 2.0057 1.2741 0.3295 -0.0172 0.1452 18 PRO A C 5150 O O . PRO D 18 ? 1.0935 1.9411 1.3139 0.3390 -0.0158 0.1456 18 PRO A O 5151 C CB . PRO D 18 ? 1.0762 2.0967 1.2472 0.3327 -0.0213 0.0972 18 PRO A CB 5152 C CG . PRO D 18 ? 1.0586 2.0935 1.2107 0.3088 -0.0246 0.0577 18 PRO A CG 5153 C CD . PRO D 18 ? 1.0581 2.0140 1.2096 0.2872 -0.0252 0.0448 18 PRO A CD 5154 N N . GLY D 19 ? 1.1002 2.0744 1.2823 0.3384 -0.0156 0.1783 19 GLY A N 5155 C CA . GLY D 19 ? 1.1229 2.0772 1.3306 0.3555 -0.0118 0.2245 19 GLY A CA 5156 C C . GLY D 19 ? 1.1242 2.0352 1.3129 0.3264 -0.0119 0.2247 19 GLY A C 5157 O O . GLY D 19 ? 1.1360 2.0313 1.3452 0.3366 -0.0087 0.2631 19 GLY A O 5158 N N . GLU D 20 ? 1.1117 2.0075 1.2650 0.2909 -0.0158 0.1852 20 GLU A N 5159 C CA . GLU D 20 ? 1.1048 1.9571 1.2415 0.2630 -0.0170 0.1782 20 GLU A CA 5160 C C . GLU D 20 ? 1.0765 1.9605 1.1771 0.2289 -0.0226 0.1434 20 GLU A C 5161 O O . GLU D 20 ? 1.0825 1.9444 1.1737 0.2098 -0.0260 0.1145 20 GLU A O 5162 C CB . GLU D 20 ? 1.1199 1.8783 1.2733 0.2570 -0.0165 0.1664 20 GLU A CB 5163 C CG . GLU D 20 ? 1.1480 1.8619 1.3480 0.2845 -0.0119 0.1992 20 GLU A CG 5164 C CD . GLU D 20 ? 1.1519 1.7786 1.3689 0.2735 -0.0117 0.1829 20 GLU A CD 5165 O OE1 . GLU D 20 ? 1.1399 1.7462 1.3422 0.2567 -0.0148 0.1433 20 GLU A OE1 5166 O OE2 . GLU D 20 ? 1.1437 1.7299 1.3910 0.2811 -0.0085 0.2115 20 GLU A OE2 5167 N N . ASN D 21 ? 1.0386 1.9800 1.1254 0.2214 -0.0239 0.1470 21 ASN A N 5168 C CA . ASN D 21 ? 0.9834 1.9704 1.0493 0.1926 -0.0299 0.1133 21 ASN A CA 5169 C C . ASN D 21 ? 0.9279 1.8609 0.9861 0.1591 -0.0351 0.0872 21 ASN A C 5170 O O . ASN D 21 ? 0.8948 1.8392 0.9474 0.1321 -0.0411 0.0585 21 ASN A O 5171 C CB . ASN D 21 ? 0.9889 2.0794 1.0500 0.2013 -0.0298 0.1194 21 ASN A CB 5172 C CG . ASN D 21 ? 0.9943 2.0994 1.0596 0.2119 -0.0270 0.1437 21 ASN A CG 5173 O OD1 . ASN D 21 ? 0.9916 2.0621 1.0728 0.2337 -0.0216 0.1821 21 ASN A OD1 5174 N ND2 . ASN D 21 ? 0.9770 2.1398 1.0333 0.1962 -0.0309 0.1202 21 ASN A ND2 5175 N N . LEU D 22 ? 0.9053 1.7808 0.9683 0.1606 -0.0332 0.0992 22 LEU A N 5176 C CA . LEU D 22 ? 0.8827 1.7195 0.9412 0.1341 -0.0382 0.0775 22 LEU A CA 5177 C C . LEU D 22 ? 0.8630 1.6133 0.9229 0.1189 -0.0398 0.0699 22 LEU A C 5178 O O . LEU D 22 ? 0.8488 1.5643 0.9146 0.1312 -0.0359 0.0810 22 LEU A O 5179 C CB . LEU D 22 ? 0.8752 1.7226 0.9364 0.1445 -0.0355 0.0942 22 LEU A CB 5180 C CG . LEU D 22 ? 0.8614 1.8116 0.9214 0.1604 -0.0338 0.1051 22 LEU A CG 5181 C CD1 . LEU D 22 ? 0.8678 1.8303 0.9319 0.1701 -0.0306 0.1276 22 LEU A CD1 5182 C CD2 . LEU D 22 ? 0.8467 1.8591 0.9019 0.1402 -0.0411 0.0630 22 LEU A CD2 5183 N N . CYS D 23 ? 0.8631 1.5858 0.9220 0.0930 -0.0461 0.0488 23 CYS A N 5184 C CA . CYS D 23 ? 0.8810 1.5285 0.9417 0.0790 -0.0478 0.0457 23 CYS A CA 5185 C C . CYS D 23 ? 0.8605 1.4854 0.9237 0.0752 -0.0493 0.0428 23 CYS A C 5186 O O . CYS D 23 ? 0.8633 1.5368 0.9278 0.0770 -0.0511 0.0341 23 CYS A O 5187 C CB . CYS D 23 ? 0.8993 1.5375 0.9627 0.0512 -0.0550 0.0287 23 CYS A CB 5188 S SG . CYS D 23 ? 0.9460 1.6376 1.0062 0.0517 -0.0543 0.0284 23 CYS A SG 5189 N N . TYR D 24 ? 0.8334 1.3948 0.8983 0.0707 -0.0488 0.0472 24 TYR A N 5190 C CA . TYR D 24 ? 0.8150 1.3560 0.8823 0.0688 -0.0498 0.0455 24 TYR A CA 5191 C C . TYR D 24 ? 0.7987 1.2761 0.8691 0.0523 -0.0537 0.0381 24 TYR A C 5192 O O . TYR D 24 ? 0.7919 1.2404 0.8617 0.0446 -0.0542 0.0395 24 TYR A O 5193 C CB . TYR D 24 ? 0.8277 1.3760 0.8967 0.0918 -0.0415 0.0732 24 TYR A CB 5194 C CG . TYR D 24 ? 0.8471 1.3368 0.9239 0.0989 -0.0361 0.0898 24 TYR A CG 5195 C CD1 . TYR D 24 ? 0.8560 1.2973 0.9361 0.0916 -0.0360 0.0897 24 TYR A CD1 5196 C CD2 . TYR D 24 ? 0.8777 1.3647 0.9636 0.1137 -0.0315 0.1013 24 TYR A CD2 5197 C CE1 . TYR D 24 ? 0.8821 1.2750 0.9747 0.0964 -0.0315 0.0988 24 TYR A CE1 5198 C CE2 . TYR D 24 ? 0.8952 1.3312 0.9974 0.1203 -0.0275 0.1074 24 TYR A CE2 5199 C CZ . TYR D 24 ? 0.8992 1.2891 1.0051 0.1105 -0.0274 0.1054 24 TYR A CZ 5200 O OH . TYR D 24 ? 0.9109 1.2554 1.0379 0.1154 -0.0238 0.1057 24 TYR A OH 5201 N N . ARG D 25 ? 0.7816 1.2487 0.8561 0.0483 -0.0567 0.0297 25 ARG A N 5202 C CA . ARG D 25 ? 0.7562 1.1685 0.8346 0.0377 -0.0597 0.0266 25 ARG A CA 5203 C C . ARG D 25 ? 0.7326 1.1445 0.8098 0.0493 -0.0554 0.0350 25 ARG A C 5204 O O . ARG D 25 ? 0.7183 1.1757 0.7973 0.0548 -0.0565 0.0271 25 ARG A O 5205 C CB . ARG D 25 ? 0.7644 1.1691 0.8581 0.0186 -0.0704 0.0038 25 ARG A CB 5206 C CG . ARG D 25 ? 0.7728 1.1267 0.8744 0.0095 -0.0747 0.0028 25 ARG A CG 5207 C CD . ARG D 25 ? 0.7944 1.1443 0.9228 -0.0036 -0.0860 -0.0208 25 ARG A CD 5208 N NE . ARG D 25 ? 0.8146 1.1582 0.9615 -0.0223 -0.0930 -0.0207 25 ARG A NE 5209 C CZ . ARG D 25 ? 0.8438 1.1775 1.0275 -0.0374 -0.1041 -0.0379 25 ARG A CZ 5210 N NH1 . ARG D 25 ? 0.8584 1.1885 1.0638 -0.0336 -0.1102 -0.0643 25 ARG A NH1 5211 N NH2 . ARG D 25 ? 0.8619 1.1920 1.0665 -0.0564 -0.1097 -0.0291 25 ARG A NH2 5212 N N . LYS D 26 ? 0.7283 1.0973 0.8049 0.0517 -0.0508 0.0490 26 LYS A N 5213 C CA . LYS D 26 ? 0.7189 1.0861 0.7979 0.0602 -0.0460 0.0623 26 LYS A CA 5214 C C . LYS D 26 ? 0.6941 1.0146 0.7752 0.0493 -0.0490 0.0543 26 LYS A C 5215 O O . LYS D 26 ? 0.6821 0.9642 0.7639 0.0429 -0.0486 0.0547 26 LYS A O 5216 C CB . LYS D 26 ? 0.7434 1.1072 0.8297 0.0751 -0.0365 0.0908 26 LYS A CB 5217 C CG . LYS D 26 ? 0.7784 1.1639 0.8735 0.0851 -0.0308 0.1158 26 LYS A CG 5218 C CD . LYS D 26 ? 0.8116 1.2021 0.9255 0.1015 -0.0227 0.1503 26 LYS A CD 5219 C CE . LYS D 26 ? 0.8423 1.1682 0.9776 0.1001 -0.0188 0.1550 26 LYS A CE 5220 N NZ . LYS D 26 ? 0.8572 1.1645 1.0061 0.0951 -0.0157 0.1695 26 LYS A NZ 5221 N N . MET D 27 ? 0.6778 1.0115 0.7609 0.0483 -0.0523 0.0450 27 MET A N 5222 C CA . MET D 27 ? 0.6673 0.9645 0.7539 0.0395 -0.0564 0.0358 27 MET A CA 5223 C C . MET D 27 ? 0.6531 0.9613 0.7409 0.0456 -0.0520 0.0452 27 MET A C 5224 O O . MET D 27 ? 0.6506 1.0100 0.7382 0.0547 -0.0495 0.0505 27 MET A O 5225 C CB . MET D 27 ? 0.6643 0.9628 0.7609 0.0308 -0.0676 0.0092 27 MET A CB 5226 C CG . MET D 27 ? 0.6676 0.9545 0.7694 0.0202 -0.0728 0.0047 27 MET A CG 5227 S SD . MET D 27 ? 0.6940 0.9567 0.8235 0.0063 -0.0868 -0.0158 27 MET A SD 5228 C CE . MET D 27 ? 0.7019 0.9478 0.8354 -0.0091 -0.0895 -0.0006 27 MET A CE 5229 N N . TRP D 28 ? 0.6367 0.9059 0.7264 0.0398 -0.0508 0.0487 28 TRP A N 5230 C CA . TRP D 28 ? 0.6327 0.9112 0.7257 0.0421 -0.0472 0.0571 28 TRP A CA 5231 C C . TRP D 28 ? 0.6140 0.8515 0.7090 0.0329 -0.0497 0.0497 28 TRP A C 5232 O O . TRP D 28 ? 0.6041 0.8087 0.6985 0.0262 -0.0510 0.0466 28 TRP A O 5233 C CB . TRP D 28 ? 0.6455 0.9356 0.7464 0.0488 -0.0367 0.0890 28 TRP A CB 5234 C CG . TRP D 28 ? 0.6544 0.8954 0.7670 0.0448 -0.0314 0.0985 28 TRP A CG 5235 C CD1 . TRP D 28 ? 0.6541 0.8686 0.7805 0.0386 -0.0274 0.1047 28 TRP A CD1 5236 C CD2 . TRP D 28 ? 0.6569 0.8771 0.7728 0.0468 -0.0302 0.0967 28 TRP A CD2 5237 N NE1 . TRP D 28 ? 0.6674 0.8457 0.8087 0.0369 -0.0241 0.1025 28 TRP A NE1 5238 C CE2 . TRP D 28 ? 0.6682 0.8510 0.8024 0.0429 -0.0258 0.0974 28 TRP A CE2 5239 C CE3 . TRP D 28 ? 0.6546 0.8898 0.7619 0.0514 -0.0326 0.0914 28 TRP A CE3 5240 C CZ2 . TRP D 28 ? 0.6806 0.8441 0.8258 0.0456 -0.0241 0.0895 28 TRP A CZ2 5241 C CZ3 . TRP D 28 ? 0.6701 0.8858 0.7846 0.0536 -0.0304 0.0889 28 TRP A CZ3 5242 C CH2 . TRP D 28 ? 0.6813 0.8630 0.8151 0.0518 -0.0263 0.0864 28 TRP A CH2 5243 N N . CYS D 29 ? 0.6048 0.8559 0.7020 0.0335 -0.0504 0.0467 29 CYS A N 5244 C CA . CYS D 29 ? 0.5993 0.8220 0.6989 0.0263 -0.0521 0.0418 29 CYS A CA 5245 C C . CYS D 29 ? 0.5895 0.7951 0.6962 0.0219 -0.0427 0.0597 29 CYS A C 5246 O O . CYS D 29 ? 0.6017 0.8281 0.7165 0.0254 -0.0357 0.0795 29 CYS A O 5247 C CB . CYS D 29 ? 0.6095 0.8595 0.7116 0.0299 -0.0565 0.0297 29 CYS A CB 5248 S SG . CYS D 29 ? 0.6551 0.9045 0.7662 0.0331 -0.0710 -0.0015 29 CYS A SG 5249 N N . ASP D 30 ? 0.5665 0.7404 0.6757 0.0141 -0.0429 0.0531 30 ASP A N 5250 C CA . ASP D 30 ? 0.5494 0.7082 0.6732 0.0075 -0.0360 0.0585 30 ASP A CA 5251 C C . ASP D 30 ? 0.5333 0.6939 0.6541 0.0014 -0.0399 0.0473 30 ASP A C 5252 O O . ASP D 30 ? 0.5203 0.6896 0.6308 0.0044 -0.0478 0.0382 30 ASP A O 5253 C CB . ASP D 30 ? 0.5515 0.6872 0.6858 0.0047 -0.0328 0.0521 30 ASP A CB 5254 C CG . ASP D 30 ? 0.5436 0.6770 0.6669 -0.0007 -0.0390 0.0337 30 ASP A CG 5255 O OD1 . ASP D 30 ? 0.5297 0.6706 0.6418 -0.0030 -0.0458 0.0300 30 ASP A OD1 5256 O OD2 . ASP D 30 ? 0.5416 0.6714 0.6717 -0.0018 -0.0371 0.0242 30 ASP A OD2 5257 N N . VAL D 31 ? 0.5439 0.6965 0.6795 -0.0067 -0.0347 0.0469 31 VAL A N 5258 C CA . VAL D 31 ? 0.5434 0.7034 0.6779 -0.0131 -0.0374 0.0363 31 VAL A CA 5259 C C . VAL D 31 ? 0.5275 0.6904 0.6475 -0.0120 -0.0467 0.0235 31 VAL A C 5260 O O . VAL D 31 ? 0.5261 0.7019 0.6435 -0.0117 -0.0511 0.0192 31 VAL A O 5261 C CB . VAL D 31 ? 0.5720 0.7216 0.7299 -0.0246 -0.0307 0.0301 31 VAL A CB 5262 C CG1 . VAL D 31 ? 0.5824 0.7201 0.7455 -0.0266 -0.0308 0.0129 31 VAL A CG1 5263 C CG2 . VAL D 31 ? 0.5785 0.7451 0.7373 -0.0320 -0.0321 0.0213 31 VAL A CG2 5264 N N . PHE D 32 ? 0.5205 0.6756 0.6348 -0.0111 -0.0499 0.0209 32 PHE A N 5265 C CA . PHE D 32 ? 0.5089 0.6709 0.6163 -0.0110 -0.0590 0.0194 32 PHE A CA 5266 C C . PHE D 32 ? 0.5127 0.6706 0.6190 -0.0036 -0.0677 0.0237 32 PHE A C 5267 O O . PHE D 32 ? 0.5112 0.6694 0.6216 -0.0042 -0.0760 0.0284 32 PHE A O 5268 C CB . PHE D 32 ? 0.4968 0.6649 0.6027 -0.0157 -0.0586 0.0171 32 PHE A CB 5269 C CG . PHE D 32 ? 0.4951 0.6757 0.6094 -0.0224 -0.0524 0.0024 32 PHE A CG 5270 C CD1 . PHE D 32 ? 0.4891 0.6951 0.6047 -0.0275 -0.0545 -0.0044 32 PHE A CD1 5271 C CD2 . PHE D 32 ? 0.5007 0.6708 0.6275 -0.0228 -0.0449 -0.0073 32 PHE A CD2 5272 C CE1 . PHE D 32 ? 0.4948 0.7200 0.6230 -0.0347 -0.0492 -0.0259 32 PHE A CE1 5273 C CE2 . PHE D 32 ? 0.5074 0.6885 0.6529 -0.0291 -0.0401 -0.0292 32 PHE A CE2 5274 C CZ . PHE D 32 ? 0.5048 0.7156 0.6506 -0.0360 -0.0422 -0.0411 32 PHE A CZ 5275 N N . CYS D 33 ? 0.5143 0.6746 0.6210 0.0029 -0.0664 0.0220 33 CYS A N 5276 C CA . CYS D 33 ? 0.5271 0.6884 0.6388 0.0095 -0.0743 0.0169 33 CYS A CA 5277 C C . CYS D 33 ? 0.5162 0.6734 0.6431 0.0127 -0.0860 0.0113 33 CYS A C 5278 O O . CYS D 33 ? 0.5202 0.6663 0.6608 0.0123 -0.0941 0.0117 33 CYS A O 5279 C CB . CYS D 33 ? 0.5484 0.7325 0.6589 0.0173 -0.0711 0.0118 33 CYS A CB 5280 S SG . CYS D 33 ? 0.5841 0.7747 0.7004 0.0217 -0.0773 0.0020 33 CYS A SG 5281 N N . SER D 34 ? 0.5034 0.6693 0.6333 0.0157 -0.0872 0.0079 34 SER A N 5282 C CA . SER D 34 ? 0.5104 0.6729 0.6617 0.0226 -0.0990 0.0032 34 SER A CA 5283 C C . SER D 34 ? 0.5134 0.6624 0.6768 0.0171 -0.1059 0.0225 34 SER A C 5284 O O . SER D 34 ? 0.5298 0.6685 0.7221 0.0229 -0.1173 0.0250 34 SER A O 5285 C CB . SER D 34 ? 0.5095 0.6925 0.6609 0.0289 -0.0985 -0.0049 34 SER A CB 5286 O OG . SER D 34 ? 0.5026 0.6927 0.6423 0.0210 -0.0929 0.0060 34 SER A OG 5287 N N . SER D 35 ? 0.5029 0.6578 0.6499 0.0067 -0.0996 0.0365 35 SER A N 5288 C CA . SER D 35 ? 0.4980 0.6598 0.6542 0.0005 -0.1052 0.0592 35 SER A CA 5289 C C . SER D 35 ? 0.4888 0.6456 0.6441 -0.0071 -0.1049 0.0682 35 SER A C 5290 O O . SER D 35 ? 0.5023 0.6522 0.6811 -0.0098 -0.1140 0.0851 35 SER A O 5291 C CB . SER D 35 ? 0.4866 0.6800 0.6277 -0.0049 -0.0994 0.0643 35 SER A CB 5292 O OG . SER D 35 ? 0.4809 0.6790 0.6024 -0.0108 -0.0881 0.0500 35 SER A OG 5293 N N . ARG D 36 ? 0.4717 0.6325 0.6053 -0.0105 -0.0949 0.0582 36 ARG A N 5294 C CA . ARG D 36 ? 0.4691 0.6328 0.5991 -0.0166 -0.0936 0.0645 36 ARG A CA 5295 C C . ARG D 36 ? 0.4645 0.6094 0.6010 -0.0136 -0.0955 0.0554 36 ARG A C 5296 O O . ARG D 36 ? 0.4602 0.6094 0.5969 -0.0190 -0.0958 0.0612 36 ARG A O 5297 C CB . ARG D 36 ? 0.4612 0.6409 0.5715 -0.0192 -0.0826 0.0552 36 ARG A CB 5298 C CG . ARG D 36 ? 0.4609 0.6718 0.5672 -0.0233 -0.0803 0.0549 36 ARG A CG 5299 C CD . ARG D 36 ? 0.4582 0.6812 0.5568 -0.0246 -0.0704 0.0356 36 ARG A CD 5300 N NE . ARG D 36 ? 0.4572 0.7117 0.5570 -0.0282 -0.0676 0.0235 36 ARG A NE 5301 C CZ . ARG D 36 ? 0.4637 0.7339 0.5677 -0.0300 -0.0603 -0.0007 36 ARG A CZ 5302 N NH1 . ARG D 36 ? 0.4704 0.7237 0.5785 -0.0267 -0.0550 -0.0113 36 ARG A NH1 5303 N NH2 . ARG D 36 ? 0.4651 0.7709 0.5744 -0.0344 -0.0588 -0.0169 36 ARG A NH2 5304 N N . GLY D 37 ? 0.4646 0.5995 0.6064 -0.0049 -0.0967 0.0393 37 GLY A N 5305 C CA . GLY D 37 ? 0.4778 0.6121 0.6236 -0.0008 -0.0973 0.0249 37 GLY A CA 5306 C C . GLY D 37 ? 0.4822 0.6284 0.6050 0.0011 -0.0859 0.0234 37 GLY A C 5307 O O . GLY D 37 ? 0.4729 0.6205 0.5820 0.0002 -0.0775 0.0290 37 GLY A O 5308 N N . LYS D 38 ? 0.4951 0.6520 0.6196 0.0043 -0.0861 0.0150 38 LYS A N 5309 C CA . LYS D 38 ? 0.5030 0.6764 0.6117 0.0097 -0.0762 0.0177 38 LYS A CA 5310 C C . LYS D 38 ? 0.5032 0.6722 0.6026 0.0053 -0.0708 0.0293 38 LYS A C 5311 O O . LYS D 38 ? 0.4857 0.6526 0.5890 -0.0025 -0.0757 0.0331 38 LYS A O 5312 C CB . LYS D 38 ? 0.5257 0.7265 0.6393 0.0157 -0.0785 0.0048 38 LYS A CB 5313 C CG . LYS D 38 ? 0.5443 0.7676 0.6681 0.0235 -0.0829 -0.0141 38 LYS A CG 5314 C CD . LYS D 38 ? 0.5654 0.8291 0.6977 0.0288 -0.0863 -0.0343 38 LYS A CD 5315 C CE . LYS D 38 ? 0.5819 0.8843 0.7275 0.0383 -0.0913 -0.0616 38 LYS A CE 5316 N NZ . LYS D 38 ? 0.5842 0.9325 0.7117 0.0474 -0.0816 -0.0487 38 LYS A NZ 5317 N N . VAL D 39 ? 0.5098 0.6811 0.6024 0.0107 -0.0610 0.0354 39 VAL A N 5318 C CA . VAL D 39 ? 0.5239 0.6952 0.6139 0.0111 -0.0556 0.0398 39 VAL A CA 5319 C C . VAL D 39 ? 0.5357 0.7257 0.6230 0.0144 -0.0569 0.0407 39 VAL A C 5320 O O . VAL D 39 ? 0.5263 0.7338 0.6137 0.0205 -0.0573 0.0399 39 VAL A O 5321 C CB . VAL D 39 ? 0.5254 0.6894 0.6227 0.0176 -0.0458 0.0454 39 VAL A CB 5322 C CG1 . VAL D 39 ? 0.5343 0.6999 0.6374 0.0222 -0.0413 0.0445 39 VAL A CG1 5323 C CG2 . VAL D 39 ? 0.5203 0.6698 0.6237 0.0116 -0.0445 0.0405 39 VAL A CG2 5324 N N . VAL D 40 ? 0.5638 0.7604 0.6490 0.0102 -0.0578 0.0408 40 VAL A N 5325 C CA . VAL D 40 ? 0.5986 0.8173 0.6819 0.0112 -0.0594 0.0410 40 VAL A CA 5326 C C . VAL D 40 ? 0.6343 0.8635 0.7161 0.0206 -0.0520 0.0436 40 VAL A C 5327 O O . VAL D 40 ? 0.6537 0.8805 0.7377 0.0190 -0.0500 0.0392 40 VAL A O 5328 C CB . VAL D 40 ? 0.6025 0.8274 0.6905 -0.0033 -0.0680 0.0414 40 VAL A CB 5329 C CG1 . VAL D 40 ? 0.6086 0.8595 0.6979 -0.0048 -0.0700 0.0397 40 VAL A CG1 5330 C CG2 . VAL D 40 ? 0.6046 0.8118 0.7055 -0.0108 -0.0765 0.0392 40 VAL A CG2 5331 N N . GLU D 41 ? 0.6674 0.9149 0.7491 0.0319 -0.0485 0.0488 41 GLU A N 5332 C CA . GLU D 41 ? 0.6964 0.9567 0.7825 0.0439 -0.0428 0.0521 41 GLU A CA 5333 C C . GLU D 41 ? 0.7010 0.9983 0.7803 0.0447 -0.0455 0.0521 41 GLU A C 5334 O O . GLU D 41 ? 0.6766 0.9925 0.7528 0.0435 -0.0484 0.0520 41 GLU A O 5335 C CB . GLU D 41 ? 0.7250 0.9760 0.8254 0.0594 -0.0352 0.0662 41 GLU A CB 5336 C CG . GLU D 41 ? 0.7589 1.0115 0.8771 0.0745 -0.0297 0.0692 41 GLU A CG 5337 C CD . GLU D 41 ? 0.7987 1.0372 0.9433 0.0887 -0.0229 0.0912 41 GLU A CD 5338 O OE1 . GLU D 41 ? 0.8140 1.0801 0.9634 0.1022 -0.0202 0.1131 41 GLU A OE1 5339 O OE2 . GLU D 41 ? 0.8237 1.0283 0.9877 0.0855 -0.0203 0.0892 41 GLU A OE2 5340 N N . LEU D 42 ? 0.7083 1.0235 0.7873 0.0466 -0.0447 0.0481 42 LEU A N 5341 C CA . LEU D 42 ? 0.7203 1.0758 0.7940 0.0464 -0.0469 0.0474 42 LEU A CA 5342 C C . LEU D 42 ? 0.7683 1.1435 0.8484 0.0656 -0.0409 0.0494 42 LEU A C 5343 O O . LEU D 42 ? 0.7892 1.1486 0.8803 0.0730 -0.0376 0.0430 42 LEU A O 5344 C CB . LEU D 42 ? 0.6989 1.0669 0.7692 0.0256 -0.0539 0.0420 42 LEU A CB 5345 C CG . LEU D 42 ? 0.6896 1.0333 0.7642 0.0068 -0.0612 0.0423 42 LEU A CG 5346 C CD1 . LEU D 42 ? 0.6967 1.0581 0.7755 -0.0122 -0.0672 0.0477 42 LEU A CD1 5347 C CD2 . LEU D 42 ? 0.6893 1.0338 0.7702 0.0036 -0.0658 0.0366 42 LEU A CD2 5348 N N . GLY D 43 ? 0.8099 1.2234 0.8876 0.0748 -0.0402 0.0550 43 GLY A N 5349 C CA . GLY D 43 ? 0.8435 1.2794 0.9314 0.0960 -0.0353 0.0583 43 GLY A CA 5350 C C . GLY D 43 ? 0.8576 1.3450 0.9416 0.1069 -0.0347 0.0674 43 GLY A C 5351 O O . GLY D 43 ? 0.8238 1.3399 0.8957 0.0934 -0.0391 0.0632 43 GLY A O 5352 N N . CYS D 44 ? 0.9061 1.4073 1.0060 0.1321 -0.0296 0.0777 44 CYS A N 5353 C CA . CYS D 44 ? 0.9498 1.5061 1.0498 0.1485 -0.0279 0.0923 44 CYS A CA 5354 C C . CYS D 44 ? 0.9718 1.5280 1.0869 0.1668 -0.0231 0.1231 44 CYS A C 5355 O O . CYS D 44 ? 0.9791 1.4868 1.1118 0.1700 -0.0202 0.1342 44 CYS A O 5356 C CB . CYS D 44 ? 0.9980 1.5782 1.1116 0.1684 -0.0259 0.0885 44 CYS A CB 5357 S SG . CYS D 44 ? 1.0391 1.6407 1.1385 0.1502 -0.0306 0.0573 44 CYS A SG 5358 N N . ALA D 45 ? 0.9856 1.6054 1.0965 0.1783 -0.0223 0.1391 45 ALA A N 5359 C CA . ALA D 45 ? 1.0108 1.6547 1.1366 0.1968 -0.0177 0.1765 45 ALA A CA 5360 C C . ALA D 45 ? 1.0219 1.7438 1.1515 0.2189 -0.0159 0.1968 45 ALA A C 5361 O O . ALA D 45 ? 0.9966 1.7703 1.1060 0.2115 -0.0194 0.1756 45 ALA A O 5362 C CB . ALA D 45 ? 1.0006 1.6599 1.1095 0.1804 -0.0198 0.1738 45 ALA A CB 5363 N N . ALA D 46 ? 1.0679 1.7995 1.2284 0.2456 -0.0106 0.2405 46 ALA A N 5364 C CA . ALA D 46 ? 1.0880 1.9055 1.2552 0.2696 -0.0084 0.2716 46 ALA A CA 5365 C C . ALA D 46 ? 1.0846 1.9849 1.2262 0.2602 -0.0095 0.2751 46 ALA A C 5366 O O . ALA D 46 ? 1.0963 2.0782 1.2192 0.2604 -0.0118 0.2619 46 ALA A O 5367 C CB . ALA D 46 ? 1.1151 1.9173 1.3318 0.3001 -0.0030 0.3252 46 ALA A CB 5368 N N . THR D 47 ? 1.0795 1.9646 1.2230 0.2519 -0.0082 0.2890 47 THR A N 5369 C CA . THR D 47 ? 1.0645 2.0215 1.1841 0.2389 -0.0106 0.2766 47 THR A CA 5370 C C . THR D 47 ? 1.0544 1.9426 1.1642 0.2139 -0.0135 0.2485 47 THR A C 5371 O O . THR D 47 ? 1.0524 1.8496 1.1768 0.2105 -0.0118 0.2537 47 THR A O 5372 C CB . THR D 47 ? 1.0751 2.1231 1.2091 0.2600 -0.0056 0.3318 47 THR A CB 5373 O OG1 . THR D 47 ? 1.0889 2.0786 1.2538 0.2667 -0.0006 0.3766 47 THR A OG1 5374 C CG2 . THR D 47 ? 1.0890 2.2132 1.2348 0.2870 -0.0031 0.3640 47 THR A CG2 5375 N N . CYS D 48 ? 1.0320 1.9685 1.1217 0.1979 -0.0183 0.2159 48 CYS A N 5376 C CA . CYS D 48 ? 1.0230 1.9022 1.1051 0.1754 -0.0225 0.1846 48 CYS A CA 5377 C C . CYS D 48 ? 1.0404 1.8878 1.1372 0.1810 -0.0171 0.2221 48 CYS A C 5378 O O . CYS D 48 ? 1.0457 1.9689 1.1486 0.1934 -0.0135 0.2553 48 CYS A O 5379 C CB . CYS D 48 ? 1.0029 1.9536 1.0721 0.1623 -0.0292 0.1418 48 CYS A CB 5380 S SG . CYS D 48 ? 0.9830 1.8608 1.0496 0.1349 -0.0372 0.0932 48 CYS A SG 5381 N N . PRO D 49 ? 1.0501 1.7947 1.1548 0.1712 -0.0167 0.2182 49 PRO A N 5382 C CA . PRO D 49 ? 1.0553 1.7631 1.1832 0.1771 -0.0108 0.2581 49 PRO A CA 5383 C C . PRO D 49 ? 1.0472 1.7882 1.1694 0.1692 -0.0110 0.2610 49 PRO A C 5384 O O . PRO D 49 ? 1.0281 1.8114 1.1293 0.1589 -0.0168 0.2230 49 PRO A O 5385 C CB . PRO D 49 ? 1.0605 1.6604 1.1968 0.1668 -0.0115 0.2393 49 PRO A CB 5386 C CG . PRO D 49 ? 1.0484 1.6343 1.1578 0.1484 -0.0189 0.1884 49 PRO A CG 5387 C CD . PRO D 49 ? 1.0391 1.7066 1.1344 0.1529 -0.0217 0.1779 49 PRO A CD 5388 N N . SER D 50 ? 1.0693 1.7911 1.2162 0.1740 -0.0051 0.3045 50 SER A N 5389 C CA . SER D 50 ? 1.0779 1.8483 1.2246 0.1698 -0.0037 0.3206 50 SER A CA 5390 C C . SER D 50 ? 1.0734 1.8053 1.2001 0.1498 -0.0095 0.2712 50 SER A C 5391 O O . SER D 50 ? 1.0653 1.7042 1.1913 0.1379 -0.0118 0.2459 50 SER A O 5392 C CB . SER D 50 ? 1.1022 1.8464 1.2882 0.1756 0.0037 0.3815 50 SER A CB 5393 O OG . SER D 50 ? 1.1152 1.8869 1.3308 0.1960 0.0085 0.4331 50 SER A OG 5394 N N . LYS D 51 ? 1.0737 1.8868 1.1875 0.1481 -0.0120 0.2581 51 LYS A N 5395 C CA . LYS D 51 ? 1.0665 1.8578 1.1679 0.1333 -0.0181 0.2133 51 LYS A CA 5396 C C . LYS D 51 ? 1.0846 1.9061 1.1962 0.1329 -0.0135 0.2448 51 LYS A C 5397 O O . LYS D 51 ? 1.0678 1.9989 1.1767 0.1401 -0.0127 0.2547 51 LYS A O 5398 C CB . LYS D 51 ? 1.0472 1.9117 1.1331 0.1322 -0.0264 0.1607 51 LYS A CB 5399 C CG . LYS D 51 ? 1.0217 1.8450 1.1034 0.1179 -0.0353 0.1050 51 LYS A CG 5400 C CD . LYS D 51 ? 1.0176 1.9087 1.1009 0.1201 -0.0363 0.0969 51 LYS A CD 5401 C CE . LYS D 51 ? 1.0088 1.8862 1.0952 0.1114 -0.0475 0.0316 51 LYS A CE 5402 N NZ . LYS D 51 ? 1.0047 1.9274 1.0942 0.1137 -0.0482 0.0240 51 LYS A NZ 5403 N N . LYS D 52 ? 1.1206 1.8535 1.2459 0.1239 -0.0104 0.2604 52 LYS A N 5404 C CA . LYS D 52 ? 1.1525 1.9007 1.2890 0.1184 -0.0068 0.2845 52 LYS A CA 5405 C C . LYS D 52 ? 1.1381 1.9108 1.2547 0.1109 -0.0142 0.2329 52 LYS A C 5406 O O . LYS D 52 ? 1.1430 1.8747 1.2459 0.1056 -0.0221 0.1811 52 LYS A O 5407 C CB . LYS D 52 ? 1.1811 1.8251 1.3426 0.1092 -0.0023 0.3066 52 LYS A CB 5408 C CG . LYS D 52 ? 1.2246 1.8655 1.4239 0.1185 0.0056 0.3697 52 LYS A CG 5409 C CD . LYS D 52 ? 1.2411 1.7704 1.4663 0.1148 0.0071 0.3665 52 LYS A CD 5410 C CE . LYS D 52 ? 1.2717 1.7994 1.5450 0.1276 0.0136 0.4263 52 LYS A CE 5411 N NZ . LYS D 52 ? 1.2946 1.7273 1.5943 0.1294 0.0135 0.4100 52 LYS A NZ 5412 N N . PRO D 53 ? 1.1434 1.9861 1.2635 0.1108 -0.0121 0.2483 53 PRO A N 5413 C CA . PRO D 53 ? 1.1266 2.0142 1.2324 0.1089 -0.0199 0.1952 53 PRO A CA 5414 C C . PRO D 53 ? 1.1148 1.8985 1.2154 0.0974 -0.0272 0.1477 53 PRO A C 5415 O O . PRO D 53 ? 1.0925 1.8856 1.1869 0.0980 -0.0367 0.0930 53 PRO A O 5416 C CB . PRO D 53 ? 1.1304 2.0952 1.2450 0.1090 -0.0144 0.2316 53 PRO A CB 5417 C CG . PRO D 53 ? 1.1478 2.0630 1.2864 0.1041 -0.0046 0.2999 53 PRO A CG 5418 C CD . PRO D 53 ? 1.1605 2.0422 1.3037 0.1117 -0.0029 0.3156 53 PRO A CD 5419 N N . TYR D 54 ? 1.1190 1.8097 1.2279 0.0873 -0.0231 0.1691 54 TYR A N 5420 C CA . TYR D 54 ? 1.1121 1.7084 1.2168 0.0769 -0.0291 0.1333 54 TYR A CA 5421 C C . TYR D 54 ? 1.0511 1.5964 1.1495 0.0760 -0.0339 0.1100 54 TYR A C 5422 O O . TYR D 54 ? 1.0204 1.5344 1.1146 0.0712 -0.0427 0.0698 54 TYR A O 5423 C CB . TYR D 54 ? 1.1690 1.6975 1.2866 0.0661 -0.0232 0.1595 54 TYR A CB 5424 C CG . TYR D 54 ? 1.2234 1.6941 1.3576 0.0644 -0.0164 0.1914 54 TYR A CG 5425 C CD1 . TYR D 54 ? 1.2546 1.7560 1.4119 0.0695 -0.0079 0.2437 54 TYR A CD1 5426 C CD2 . TYR D 54 ? 1.2484 1.6386 1.3812 0.0583 -0.0189 0.1699 54 TYR A CD2 5427 C CE1 . TYR D 54 ? 1.2905 1.7347 1.4735 0.0702 -0.0029 0.2682 54 TYR A CE1 5428 C CE2 . TYR D 54 ? 1.2746 1.6184 1.4274 0.0588 -0.0136 0.1899 54 TYR A CE2 5429 C CZ . TYR D 54 ? 1.2960 1.6618 1.4763 0.0654 -0.0059 0.2364 54 TYR A CZ 5430 O OH . TYR D 54 ? 1.3180 1.6340 1.5278 0.0682 -0.0017 0.2516 54 TYR A OH 5431 N N . GLU D 55 ? 1.0286 1.5707 1.1307 0.0810 -0.0285 0.1380 55 GLU A N 5432 C CA . GLU D 55 ? 1.0022 1.5064 1.0987 0.0803 -0.0319 0.1207 55 GLU A CA 5433 C C . GLU D 55 ? 0.9273 1.4842 1.0156 0.0833 -0.0399 0.0842 55 GLU A C 5434 O O . GLU D 55 ? 0.9302 1.5628 1.0182 0.0889 -0.0425 0.0695 55 GLU A O 5435 C CB . GLU D 55 ? 1.0461 1.5436 1.1529 0.0883 -0.0241 0.1593 55 GLU A CB 5436 C CG . GLU D 55 ? 1.0935 1.5241 1.2205 0.0841 -0.0178 0.1852 55 GLU A CG 5437 C CD . GLU D 55 ? 1.1320 1.5410 1.2780 0.0934 -0.0125 0.2114 55 GLU A CD 5438 O OE1 . GLU D 55 ? 1.1159 1.5386 1.2517 0.0998 -0.0148 0.2005 55 GLU A OE1 5439 O OE2 . GLU D 55 ? 1.1736 1.5510 1.3502 0.0942 -0.0063 0.2415 55 GLU A OE2 5440 N N . GLU D 56 ? 0.8729 1.3943 0.9585 0.0787 -0.0440 0.0668 56 GLU A N 5441 C CA . GLU D 56 ? 0.8448 1.4048 0.9310 0.0776 -0.0522 0.0298 56 GLU A CA 5442 C C . GLU D 56 ? 0.8331 1.3679 0.9166 0.0747 -0.0521 0.0331 56 GLU A C 5443 O O . GLU D 56 ? 0.8071 1.2724 0.8904 0.0655 -0.0530 0.0347 56 GLU A O 5444 C CB . GLU D 56 ? 0.8223 1.3493 0.9187 0.0674 -0.0626 -0.0103 56 GLU A CB 5445 C CG . GLU D 56 ? 0.8226 1.3835 0.9343 0.0642 -0.0730 -0.0554 56 GLU A CG 5446 C CD . GLU D 56 ? 0.8314 1.3306 0.9644 0.0522 -0.0839 -0.0847 56 GLU A CD 5447 O OE1 . GLU D 56 ? 0.8397 1.3084 0.9753 0.0522 -0.0851 -0.0837 56 GLU A OE1 5448 O OE2 . GLU D 56 ? 0.8326 1.3158 0.9834 0.0424 -0.0916 -0.1055 56 GLU A OE2 5449 N N . VAL D 57 ? 0.8184 1.4205 0.8996 0.0832 -0.0509 0.0340 57 VAL A N 5450 C CA . VAL D 57 ? 0.8159 1.4093 0.8940 0.0831 -0.0498 0.0401 57 VAL A CA 5451 C C . VAL D 57 ? 0.8099 1.4664 0.8921 0.0805 -0.0565 0.0067 57 VAL A C 5452 O O . VAL D 57 ? 0.8231 1.5642 0.9070 0.0888 -0.0572 -0.0050 57 VAL A O 5453 C CB . VAL D 57 ? 0.8237 1.4308 0.9002 0.0991 -0.0395 0.0867 57 VAL A CB 5454 C CG1 . VAL D 57 ? 0.8325 1.5261 0.9109 0.1142 -0.0345 0.1117 57 VAL A CG1 5455 C CG2 . VAL D 57 ? 0.8274 1.4423 0.9016 0.1026 -0.0390 0.0884 57 VAL A CG2 5456 N N . THR D 58 ? 0.8108 1.4323 0.8969 0.0678 -0.0614 -0.0088 58 THR A N 5457 C CA . THR D 58 ? 0.8169 1.4876 0.9132 0.0608 -0.0681 -0.0410 58 THR A CA 5458 C C . THR D 58 ? 0.8244 1.4969 0.9116 0.0624 -0.0640 -0.0217 58 THR A C 5459 O O . THR D 58 ? 0.8049 1.4211 0.8842 0.0633 -0.0594 0.0039 58 THR A O 5460 C CB . THR D 58 ? 0.8174 1.4434 0.9384 0.0400 -0.0798 -0.0788 58 THR A CB 5461 O OG1 . THR D 58 ? 0.8241 1.3677 0.9436 0.0283 -0.0801 -0.0600 58 THR A OG1 5462 C CG2 . THR D 58 ? 0.8219 1.4515 0.9557 0.0423 -0.0844 -0.1020 58 THR A CG2 5463 N N . CYS D 59 ? 0.8411 1.5858 0.9314 0.0638 -0.0659 -0.0378 59 CYS A N 5464 C CA . CYS D 59 ? 0.8570 1.6208 0.9386 0.0686 -0.0619 -0.0203 59 CYS A CA 5465 C C . CYS D 59 ? 0.8261 1.6198 0.9218 0.0507 -0.0697 -0.0542 59 CYS A C 5466 O O . CYS D 59 ? 0.7913 1.6026 0.9087 0.0370 -0.0783 -0.0935 59 CYS A O 5467 C CB . CYS D 59 ? 0.8977 1.7356 0.9681 0.0946 -0.0533 0.0101 59 CYS A CB 5468 S SG . CYS D 59 ? 0.9813 1.7637 1.0467 0.1135 -0.0430 0.0638 59 CYS A SG 5469 N N . CYS D 60 ? 0.8316 1.6300 0.9205 0.0502 -0.0672 -0.0406 60 CYS A N 5470 C CA . CYS D 60 ? 0.8571 1.6928 0.9605 0.0322 -0.0737 -0.0674 60 CYS A CA 5471 C C . CYS D 60 ? 0.8547 1.7191 0.9440 0.0407 -0.0683 -0.0458 60 CYS A C 5472 O O . CYS D 60 ? 0.8541 1.6843 0.9283 0.0558 -0.0613 -0.0140 60 CYS A O 5473 C CB . CYS D 60 ? 0.8759 1.6477 1.0054 0.0020 -0.0833 -0.0872 60 CYS A CB 5474 S SG . CYS D 60 ? 0.8910 1.5654 1.0107 -0.0038 -0.0809 -0.0539 60 CYS A SG 5475 N N . SER D 61 ? 0.8547 1.7855 0.9535 0.0313 -0.0721 -0.0678 61 SER A N 5476 C CA . SER D 61 ? 0.8451 1.8231 0.9322 0.0404 -0.0677 -0.0527 61 SER A CA 5477 C C . SER D 61 ? 0.8492 1.8209 0.9502 0.0124 -0.0735 -0.0652 61 SER A C 5478 O O . SER D 61 ? 0.8499 1.8680 0.9423 0.0182 -0.0705 -0.0565 61 SER A O 5479 C CB . SER D 61 ? 0.8446 1.9310 0.9280 0.0574 -0.0657 -0.0608 61 SER A CB 5480 O OG . SER D 61 ? 0.8425 1.9458 0.9130 0.0859 -0.0589 -0.0342 61 SER A OG 5481 N N . THR D 62 ? 0.8703 1.7896 0.9966 -0.0173 -0.0818 -0.0825 62 THR A N 5482 C CA . THR D 62 ? 0.8948 1.8009 1.0403 -0.0471 -0.0874 -0.0827 62 THR A CA 5483 C C . THR D 62 ? 0.8896 1.7317 1.0218 -0.0480 -0.0844 -0.0503 62 THR A C 5484 O O . THR D 62 ? 0.8861 1.6901 0.9973 -0.0263 -0.0784 -0.0336 62 THR A O 5485 C CB . THR D 62 ? 0.9231 1.8144 1.1167 -0.0808 -0.0994 -0.1151 62 THR A CB 5486 O OG1 . THR D 62 ? 0.9615 1.8572 1.1788 -0.1106 -0.1043 -0.1086 62 THR A OG1 5487 C CG2 . THR D 62 ? 0.9338 1.7428 1.1434 -0.0871 -0.1039 -0.1146 62 THR A CG2 5488 N N . ASP D 63 ? 0.8903 1.7299 1.0377 -0.0738 -0.0886 -0.0414 63 ASP A N 5489 C CA . ASP D 63 ? 0.8911 1.6962 1.0258 -0.0748 -0.0858 -0.0128 63 ASP A CA 5490 C C . ASP D 63 ? 0.9027 1.6352 1.0550 -0.0908 -0.0911 -0.0039 63 ASP A C 5491 O O . ASP D 63 ? 0.9042 1.6171 1.0944 -0.1167 -0.1002 -0.0132 63 ASP A O 5492 C CB . ASP D 63 ? 0.8973 1.7514 1.0386 -0.0942 -0.0873 -0.0013 63 ASP A CB 5493 C CG . ASP D 63 ? 0.8923 1.8129 1.0066 -0.0691 -0.0797 -0.0013 63 ASP A CG 5494 O OD1 . ASP D 63 ? 0.8653 1.7746 0.9546 -0.0381 -0.0723 0.0068 63 ASP A OD1 5495 O OD2 . ASP D 63 ? 0.8859 1.8703 1.0094 -0.0806 -0.0817 -0.0103 63 ASP A OD2 5496 N N . LYS D 64 ? 0.9068 1.6021 1.0365 -0.0744 -0.0856 0.0125 64 LYS A N 5497 C CA . LYS D 64 ? 0.9079 1.5436 1.0481 -0.0858 -0.0893 0.0262 64 LYS A CA 5498 C C . LYS D 64 ? 0.9047 1.4941 1.0689 -0.0920 -0.0958 0.0103 64 LYS A C 5499 O O . LYS D 64 ? 0.9119 1.4630 1.1058 -0.1123 -0.1035 0.0183 64 LYS A O 5500 C CB . LYS D 64 ? 0.9275 1.5781 1.0866 -0.1140 -0.0944 0.0499 64 LYS A CB 5501 C CG . LYS D 64 ? 0.9295 1.6259 1.0619 -0.1037 -0.0877 0.0639 64 LYS A CG 5502 C CD . LYS D 64 ? 0.9359 1.6852 1.0864 -0.1319 -0.0922 0.0848 64 LYS A CD 5503 C CE . LYS D 64 ? 0.9574 1.6804 1.1373 -0.1591 -0.0996 0.1142 64 LYS A CE 5504 N NZ . LYS D 64 ? 0.9732 1.7590 1.1731 -0.1873 -0.1033 0.1437 64 LYS A NZ 5505 N N . CYS D 65 ? 0.8868 1.4868 1.0399 -0.0720 -0.0925 -0.0106 65 CYS A N 5506 C CA . CYS D 65 ? 0.8750 1.4551 1.0506 -0.0742 -0.0984 -0.0354 65 CYS A CA 5507 C C . CYS D 65 ? 0.8413 1.3763 1.0015 -0.0567 -0.0949 -0.0311 65 CYS A C 5508 O O . CYS D 65 ? 0.8633 1.3895 1.0392 -0.0548 -0.0991 -0.0533 65 CYS A O 5509 C CB . CYS D 65 ? 0.8916 1.5353 1.0658 -0.0639 -0.0972 -0.0625 65 CYS A CB 5510 S SG . CYS D 65 ? 0.8991 1.5852 1.0266 -0.0268 -0.0838 -0.0459 65 CYS A SG 5511 N N . ASN D 66 ? 0.8005 1.3125 0.9342 -0.0447 -0.0876 -0.0067 66 ASN A N 5512 C CA . ASN D 66 ? 0.7636 1.2344 0.8840 -0.0298 -0.0835 -0.0007 66 ASN A CA 5513 C C . ASN D 66 ? 0.7595 1.1852 0.8829 -0.0407 -0.0855 0.0169 66 ASN A C 5514 O O . ASN D 66 ? 0.7550 1.1649 0.8593 -0.0281 -0.0788 0.0283 66 ASN A O 5515 C CB . ASN D 66 ? 0.7380 1.2267 0.8312 -0.0027 -0.0726 0.0093 66 ASN A CB 5516 C CG . ASN D 66 ? 0.7172 1.2134 0.7980 0.0023 -0.0674 0.0241 66 ASN A CG 5517 O OD1 . ASN D 66 ? 0.6902 1.2098 0.7759 -0.0121 -0.0707 0.0255 66 ASN A OD1 5518 N ND2 . ASN D 66 ? 0.7031 1.1830 0.7732 0.0223 -0.0597 0.0337 66 ASN A ND2 5519 N N . PRO D 67 ? 0.7601 1.1685 0.9134 -0.0639 -0.0951 0.0197 67 PRO A N 5520 C CA . PRO D 67 ? 0.7677 1.1502 0.9242 -0.0738 -0.0969 0.0433 67 PRO A CA 5521 C C . PRO D 67 ? 0.7558 1.0946 0.9090 -0.0646 -0.0966 0.0426 67 PRO A C 5522 O O . PRO D 67 ? 0.7531 1.0816 0.9010 -0.0507 -0.0946 0.0248 67 PRO A O 5523 C CB . PRO D 67 ? 0.7908 1.1694 0.9907 -0.1010 -0.1083 0.0518 67 PRO A CB 5524 C CG . PRO D 67 ? 0.7964 1.1657 1.0218 -0.1008 -0.1140 0.0200 67 PRO A CG 5525 C CD . PRO D 67 ? 0.7760 1.1854 0.9690 -0.0811 -0.1054 0.0012 67 PRO A CD 5526 N N . HIS D 68 ? 0.7461 1.0698 0.9029 -0.0727 -0.0985 0.0636 68 HIS A N 5527 C CA . HIS D 68 ? 0.7547 1.0396 0.9175 -0.0690 -0.1010 0.0650 68 HIS A CA 5528 C C . HIS D 68 ? 0.7920 1.0516 0.9971 -0.0795 -0.1123 0.0550 68 HIS A C 5529 O O . HIS D 68 ? 0.8053 1.0708 1.0439 -0.0982 -0.1201 0.0644 68 HIS A O 5530 C CB . HIS D 68 ? 0.7356 1.0260 0.8962 -0.0765 -0.1013 0.0917 68 HIS A CB 5531 C CG . HIS D 68 ? 0.7081 0.9691 0.8651 -0.0686 -0.1010 0.0921 68 HIS A CG 5532 N ND1 . HIS D 68 ? 0.7110 0.9448 0.8986 -0.0762 -0.1103 0.1028 68 HIS A ND1 5533 C CD2 . HIS D 68 ? 0.6885 0.9441 0.8200 -0.0541 -0.0930 0.0828 68 HIS A CD2 5534 C CE1 . HIS D 68 ? 0.6976 0.9156 0.8728 -0.0661 -0.1076 0.1001 68 HIS A CE1 5535 N NE2 . HIS D 68 ? 0.6926 0.9232 0.8343 -0.0541 -0.0970 0.0875 68 HIS A NE2 5536 N N . PRO D 69 ? 0.8134 1.0483 1.0231 -0.0678 -0.1137 0.0344 69 PRO A N 5537 C CA . PRO D 69 ? 0.8325 1.0500 1.0876 -0.0734 -0.1249 0.0120 69 PRO A CA 5538 C C . PRO D 69 ? 0.8641 1.0528 1.1707 -0.0920 -0.1369 0.0328 69 PRO A C 5539 O O . PRO D 69 ? 0.9349 1.1136 1.2927 -0.1028 -0.1473 0.0161 69 PRO A O 5540 C CB . PRO D 69 ? 0.8264 1.0308 1.0705 -0.0552 -0.1229 -0.0077 69 PRO A CB 5541 C CG . PRO D 69 ? 0.8144 1.0108 1.0226 -0.0484 -0.1143 0.0167 69 PRO A CG 5542 C CD . PRO D 69 ? 0.8012 1.0253 0.9813 -0.0501 -0.1061 0.0304 69 PRO A CD 5543 N N . LYS D 70 ? 0.8428 1.0234 1.1415 -0.0957 -0.1360 0.0691 70 LYS A N 5544 C CA . LYS D 70 ? 0.8626 1.0272 1.2107 -0.1136 -0.1466 0.1034 70 LYS A CA 5545 C C . LYS D 70 ? 0.8834 1.0788 1.2471 -0.1358 -0.1484 0.1332 70 LYS A C 5546 O O . LYS D 70 ? 0.8969 1.0887 1.3028 -0.1525 -0.1566 0.1729 70 LYS A O 5547 C CB . LYS D 70 ? 0.8520 1.0122 1.1858 -0.1079 -0.1451 0.1333 70 LYS A CB 5548 C CG . LYS D 70 ? 0.8391 0.9684 1.1705 -0.0898 -0.1458 0.1089 70 LYS A CG 5549 C CD . LYS D 70 ? 0.8358 0.9645 1.1619 -0.0863 -0.1460 0.1392 70 LYS A CD 5550 C CE . LYS D 70 ? 0.8381 0.9364 1.1731 -0.0700 -0.1491 0.1160 70 LYS A CE 5551 N NZ . LYS D 70 ? 0.8430 0.9443 1.1762 -0.0660 -0.1502 0.1446 70 LYS A NZ 5552 N N . GLN D 71 ? 0.8956 1.1261 1.2289 -0.1358 -0.1412 0.1181 71 GLN A N 5553 C CA . GLN D 71 ? 0.9251 1.1937 1.2716 -0.1567 -0.1424 0.1415 71 GLN A CA 5554 C C . GLN D 71 ? 0.9436 1.2228 1.3059 -0.1623 -0.1443 0.1075 71 GLN A C 5555 O O . GLN D 71 ? 0.9306 1.2052 1.2755 -0.1455 -0.1410 0.0663 71 GLN A O 5556 C CB . GLN D 71 ? 0.9025 1.2224 1.1945 -0.1508 -0.1313 0.1586 71 GLN A CB 5557 C CG . GLN D 71 ? 0.8943 1.2201 1.1702 -0.1457 -0.1291 0.1861 71 GLN A CG 5558 C CD . GLN D 71 ? 0.8736 1.2620 1.1078 -0.1421 -0.1200 0.1973 71 GLN A CD 5559 O OE1 . GLN D 71 ? 0.8439 1.2598 1.0507 -0.1348 -0.1130 0.1769 71 GLN A OE1 5560 N NE2 . GLN D 71 ? 0.8755 1.2938 1.1076 -0.1455 -0.1204 0.2279 71 GLN A NE2 5561 N N . ARG D 72 ? 0.9853 1.2883 1.3819 -0.1868 -0.1494 0.1270 72 ARG A N 5562 C CA . ARG D 72 ? 1.0179 1.3351 1.4424 -0.1975 -0.1533 0.0951 72 ARG A CA 5563 C C . ARG D 72 ? 1.0162 1.3851 1.3821 -0.1829 -0.1417 0.0730 72 ARG A C 5564 O O . ARG D 72 ? 1.0111 1.4191 1.3386 -0.1810 -0.1339 0.0977 72 ARG A O 5565 C CB . ARG D 72 ? 1.0319 1.3603 1.5177 -0.2316 -0.1626 0.1280 72 ARG A CB 5566 N N . PRO D 73 ? 1.0269 1.4040 1.3889 -0.1708 -0.1408 0.0263 73 PRO A N 5567 C CA . PRO D 73 ? 1.0159 1.4488 1.3339 -0.1582 -0.1313 0.0100 73 PRO A CA 5568 C C . PRO D 73 ? 1.0385 1.5190 1.3741 -0.1805 -0.1333 0.0189 73 PRO A C 5569 O O . PRO D 73 ? 1.0590 1.5324 1.4366 -0.2077 -0.1406 0.0474 73 PRO A O 5570 C CB . PRO D 73 ? 1.0099 1.4498 1.3323 -0.1432 -0.1324 -0.0385 73 PRO A CB 5571 C CG . PRO D 73 ? 1.0205 1.4062 1.3689 -0.1393 -0.1388 -0.0484 73 PRO A CG 5572 C CD . PRO D 73 ? 1.0374 1.3815 1.4285 -0.1621 -0.1472 -0.0129 73 PRO A CD 5573 N N . GLY D 74 ? 1.0420 1.5760 1.3472 -0.1688 -0.1266 -0.0010 74 GLY A N 5574 C CA . GLY D 74 ? 1.0617 1.6504 1.3816 -0.1880 -0.1280 0.0004 74 GLY A CA 5575 C C . GLY D 74 ? 1.0683 1.6924 1.3587 -0.1908 -0.1218 0.0390 74 GLY A C 5576 O O . GLY D 74 ? 1.0695 1.6729 1.3430 -0.1864 -0.1192 0.0679 74 GLY A O 5577 O OXT . GLY D 74 ? 1.0721 1.7558 1.3559 -0.1970 -0.1195 0.0393 74 GLY A OXT 5578 C C1 . NAG E . ? 0.5845 0.5447 0.5261 -0.0055 0.0147 0.0090 301 NAG B C1 5579 C C2 . NAG E . ? 0.5798 0.5464 0.5240 -0.0044 0.0153 0.0109 301 NAG B C2 5580 C C3 . NAG E . ? 0.5912 0.5559 0.5345 -0.0049 0.0162 0.0089 301 NAG B C3 5581 C C4 . NAG E . ? 0.5964 0.5593 0.5362 -0.0083 0.0152 0.0059 301 NAG B C4 5582 C C5 . NAG E . ? 0.5974 0.5540 0.5347 -0.0087 0.0145 0.0042 301 NAG B C5 5583 C C6 . NAG E . ? 0.6070 0.5611 0.5405 -0.0113 0.0133 0.0012 301 NAG B C6 5584 C C7 . NAG E . ? 0.5731 0.5457 0.5228 -0.0002 0.0157 0.0174 301 NAG B C7 5585 C C8 . NAG E . ? 0.5714 0.5419 0.5237 0.0035 0.0166 0.0205 301 NAG B C8 5586 N N2 . NAG E . ? 0.5737 0.5406 0.5210 -0.0011 0.0162 0.0141 301 NAG B N2 5587 O O3 . NAG E . ? 0.5897 0.5615 0.5357 -0.0036 0.0169 0.0110 301 NAG B O3 5588 O O4 . NAG E . ? 0.6128 0.5729 0.5514 -0.0090 0.0159 0.0042 301 NAG B O4 5589 O O5 . NAG E . ? 0.5901 0.5497 0.5285 -0.0081 0.0139 0.0060 301 NAG B O5 5590 O O6 . NAG E . ? 0.6308 0.5909 0.5641 -0.0131 0.0120 0.0014 301 NAG B O6 5591 O O7 . NAG E . ? 0.5680 0.5469 0.5175 -0.0021 0.0145 0.0180 301 NAG B O7 5592 C C1 . NAG F . ? 0.6251 0.5918 0.5650 -0.0098 0.0162 0.0052 302 NAG B C1 5593 C C2 . NAG F . ? 0.6372 0.6008 0.5743 -0.0125 0.0160 0.0030 302 NAG B C2 5594 C C3 . NAG F . ? 0.6580 0.6291 0.5965 -0.0137 0.0163 0.0043 302 NAG B C3 5595 C C4 . NAG F . ? 0.6773 0.6530 0.6195 -0.0096 0.0182 0.0064 302 NAG B C4 5596 C C5 . NAG F . ? 0.6576 0.6345 0.6022 -0.0065 0.0183 0.0083 302 NAG B C5 5597 C C6 . NAG F . ? 0.6459 0.6243 0.5934 -0.0017 0.0201 0.0100 302 NAG B C6 5598 C C7 . NAG F . ? 0.6222 0.5747 0.5531 -0.0156 0.0139 -0.0010 302 NAG B C7 5599 C C8 . NAG F . ? 0.6240 0.5736 0.5513 -0.0181 0.0121 -0.0030 302 NAG B C8 5600 N N2 . NAG F . ? 0.6279 0.5881 0.5616 -0.0156 0.0142 0.0010 302 NAG B N2 5601 O O3 . NAG F . ? 0.6406 0.6083 0.5765 -0.0161 0.0163 0.0026 302 NAG B O3 5602 O O4 . NAG F . ? 0.7486 0.7340 0.6925 -0.0106 0.0183 0.0081 302 NAG B O4 5603 O O5 . NAG F . ? 0.6352 0.6043 0.5781 -0.0063 0.0178 0.0071 302 NAG B O5 5604 O O6 . NAG F . ? 0.6398 0.6241 0.5902 0.0001 0.0199 0.0131 302 NAG B O6 5605 O O7 . NAG F . ? 0.6254 0.5734 0.5565 -0.0136 0.0150 -0.0014 302 NAG B O7 5606 C C1 . BMA G . ? 0.8405 0.8271 0.7845 -0.0099 0.0196 0.0078 303 BMA B C1 5607 C C2 . BMA G . ? 0.8939 0.8928 0.8403 -0.0104 0.0199 0.0102 303 BMA B C2 5608 C C3 . BMA G . ? 0.9531 0.9553 0.8998 -0.0095 0.0214 0.0100 303 BMA B C3 5609 C C4 . BMA G . ? 0.9482 0.9435 0.8913 -0.0132 0.0207 0.0077 303 BMA B C4 5610 C C5 . BMA G . ? 0.9278 0.9107 0.8684 -0.0131 0.0202 0.0053 303 BMA B C5 5611 C C6 . BMA G . ? 0.9460 0.9229 0.8829 -0.0172 0.0191 0.0034 303 BMA B C6 5612 O O2 . BMA G . ? 0.8976 0.9002 0.8424 -0.0158 0.0179 0.0105 303 BMA B O2 5613 O O3 . BMA G . ? 1.0458 1.0607 0.9943 -0.0110 0.0213 0.0125 303 BMA B O3 5614 O O4 . BMA G . ? 0.9597 0.9570 0.9033 -0.0112 0.0224 0.0072 303 BMA B O4 5615 O O5 . BMA G . ? 0.8714 0.8528 0.8120 -0.0136 0.0189 0.0056 303 BMA B O5 5616 O O6 . BMA G . ? 0.9642 0.9429 0.8992 -0.0222 0.0170 0.0039 303 BMA B O6 5617 C C1 . MAN H . ? 1.1499 1.1730 1.1023 -0.0055 0.0230 0.0146 304 MAN B C1 5618 C C2 . MAN H . ? 1.1980 1.2355 1.1519 -0.0074 0.0231 0.0170 304 MAN B C2 5619 C C3 . MAN H . ? 1.1889 1.2317 1.1423 -0.0130 0.0209 0.0184 304 MAN B C3 5620 C C4 . MAN H . ? 1.1803 1.2239 1.1358 -0.0101 0.0206 0.0199 304 MAN B C4 5621 C C5 . MAN H . ? 1.1838 1.2146 1.1388 -0.0062 0.0211 0.0181 304 MAN B C5 5622 C C6 . MAN H . ? 1.1834 1.2175 1.1416 -0.0013 0.0216 0.0207 304 MAN B C6 5623 O O2 . MAN H . ? 1.2974 1.3438 1.2551 -0.0013 0.0249 0.0191 304 MAN B O2 5624 O O3 . MAN H . ? 1.1807 1.2376 1.1353 -0.0156 0.0207 0.0209 304 MAN B O3 5625 O O4 . MAN H . ? 1.1564 1.2019 1.1102 -0.0159 0.0183 0.0201 304 MAN B O4 5626 O O5 . MAN H . ? 1.1690 1.1928 1.1235 -0.0026 0.0228 0.0163 304 MAN B O5 5627 O O6 . MAN H . ? 1.1742 1.2151 1.1329 -0.0046 0.0200 0.0225 304 MAN B O6 5628 C C1 . MAN I . ? 1.4056 1.4495 1.3636 0.0038 0.0270 0.0177 305 MAN B C1 5629 C C2 . MAN I . ? 1.4525 1.5110 1.4123 0.0047 0.0281 0.0194 305 MAN B C2 5630 C C3 . MAN I . ? 1.4463 1.5172 1.4100 0.0090 0.0288 0.0228 305 MAN B C3 5631 C C4 . MAN I . ? 1.4484 1.5119 1.4137 0.0168 0.0301 0.0226 305 MAN B C4 5632 C C5 . MAN I . ? 1.4442 1.4929 1.4075 0.0148 0.0287 0.0211 305 MAN B C5 5633 C C6 . MAN I . ? 1.4324 1.4726 1.3968 0.0217 0.0297 0.0211 305 MAN B C6 5634 O O2 . MAN I . ? 1.5343 1.5902 1.4936 0.0090 0.0301 0.0173 305 MAN B O2 5635 O O3 . MAN I . ? 1.4267 1.5120 1.3921 0.0106 0.0301 0.0244 305 MAN B O3 5636 O O4 . MAN I . ? 1.4427 1.5172 1.4116 0.0208 0.0304 0.0263 305 MAN B O4 5637 O O5 . MAN I . ? 1.4337 1.4723 1.3934 0.0107 0.0282 0.0177 305 MAN B O5 5638 O O6 . MAN I . ? 1.4047 1.4495 1.3716 0.0229 0.0289 0.0244 305 MAN B O6 5639 C C1 . MAN J . ? 1.5785 1.6315 1.5349 0.0042 0.0297 0.0154 306 MAN B C1 5640 C C2 . MAN J . ? 1.5913 1.6504 1.5484 0.0087 0.0320 0.0145 306 MAN B C2 5641 C C3 . MAN J . ? 1.5998 1.6474 1.5563 0.0152 0.0336 0.0114 306 MAN B C3 5642 C C4 . MAN J . ? 1.6067 1.6385 1.5599 0.0118 0.0324 0.0088 306 MAN B C4 5643 C C5 . MAN J . ? 1.5975 1.6251 1.5507 0.0080 0.0304 0.0102 306 MAN B C5 5644 C C6 . MAN J . ? 1.5909 1.6039 1.5410 0.0050 0.0292 0.0078 306 MAN B C6 5645 O O2 . MAN J . ? 1.5811 1.6426 1.5359 0.0032 0.0315 0.0139 306 MAN B O2 5646 O O3 . MAN J . ? 1.5973 1.6502 1.5536 0.0190 0.0356 0.0099 306 MAN B O3 5647 O O4 . MAN J . ? 1.6158 1.6372 1.5683 0.0174 0.0338 0.0061 306 MAN B O4 5648 O O5 . MAN J . ? 1.5884 1.6259 1.5418 0.0022 0.0289 0.0125 306 MAN B O5 5649 O O6 . MAN J . ? 1.5656 1.5752 1.5161 0.0036 0.0277 0.0089 306 MAN B O6 5650 C C1 . MAN K . ? 0.9996 0.9731 0.9310 -0.0262 0.0159 0.0026 307 MAN B C1 5651 C C2 . MAN K . ? 1.0269 1.0002 0.9559 -0.0311 0.0135 0.0027 307 MAN B C2 5652 C C3 . MAN K . ? 1.0445 1.0294 0.9755 -0.0335 0.0132 0.0052 307 MAN B C3 5653 C C4 . MAN K . ? 1.0354 1.0257 0.9669 -0.0348 0.0141 0.0065 307 MAN B C4 5654 C C5 . MAN K . ? 1.0240 1.0137 0.9576 -0.0293 0.0167 0.0060 307 MAN B C5 5655 C C6 . MAN K . ? 1.0298 1.0245 0.9635 -0.0303 0.0177 0.0068 307 MAN B C6 5656 O O2 . MAN K . ? 1.0270 0.9927 0.9519 -0.0346 0.0121 0.0014 307 MAN B O2 5657 O O3 . MAN K . ? 1.0995 1.0836 1.0277 -0.0385 0.0108 0.0050 307 MAN B O3 5658 O O4 . MAN K . ? 1.0240 1.0269 0.9577 -0.0367 0.0141 0.0092 307 MAN B O4 5659 O O5 . MAN K . ? 1.0103 0.9885 0.9420 -0.0274 0.0168 0.0035 307 MAN B O5 5660 O O6 . MAN K . ? 1.0641 1.0514 0.9939 -0.0345 0.0163 0.0059 307 MAN B O6 5661 C C1 . MAN L . ? 1.0954 1.0855 1.0252 -0.0342 0.0176 0.0062 308 MAN B C1 5662 C C2 . MAN L . ? 1.1112 1.0918 1.0369 -0.0379 0.0161 0.0053 308 MAN B C2 5663 C C3 . MAN L . ? 1.1206 1.1029 1.0438 -0.0449 0.0137 0.0072 308 MAN B C3 5664 C C4 . MAN L . ? 1.1219 1.1184 1.0474 -0.0469 0.0144 0.0101 308 MAN B C4 5665 C C5 . MAN L . ? 1.1168 1.1223 1.0463 -0.0431 0.0157 0.0106 308 MAN B C5 5666 C C6 . MAN L . ? 1.1273 1.1485 1.0593 -0.0446 0.0163 0.0136 308 MAN B C6 5667 O O2 . MAN L . ? 1.1210 1.1022 1.0468 -0.0361 0.0178 0.0048 308 MAN B O2 5668 O O3 . MAN L . ? 1.1191 1.0928 1.0385 -0.0479 0.0125 0.0068 308 MAN B O3 5669 O O4 . MAN L . ? 1.1440 1.1418 1.0669 -0.0542 0.0118 0.0122 308 MAN B O4 5670 O O5 . MAN L . ? 1.1000 1.1030 1.0317 -0.0361 0.0180 0.0087 308 MAN B O5 5671 O O6 . MAN L . ? 1.1267 1.1559 1.0624 -0.0406 0.0174 0.0143 308 MAN B O6 5672 C C1 . MAN M . ? 1.1567 1.1462 1.0868 -0.0376 0.0104 0.0057 309 MAN B C1 5673 C C2 . MAN M . ? 1.1766 1.1678 1.1039 -0.0436 0.0078 0.0057 309 MAN B C2 5674 C C3 . MAN M . ? 1.1962 1.1748 1.1185 -0.0457 0.0059 0.0026 309 MAN B C3 5675 C C4 . MAN M . ? 1.2001 1.1732 1.1226 -0.0410 0.0064 0.0008 309 MAN B C4 5676 C C5 . MAN M . ? 1.2017 1.1751 1.1278 -0.0354 0.0090 0.0015 309 MAN B C5 5677 C C6 . MAN M . ? 1.1949 1.1662 1.1220 -0.0315 0.0094 0.0007 309 MAN B C6 5678 O O2 . MAN M . ? 1.1893 1.1884 1.1189 -0.0426 0.0077 0.0068 309 MAN B O2 5679 O O3 . MAN M . ? 1.2019 1.1810 1.1210 -0.0513 0.0034 0.0022 309 MAN B O3 5680 O O4 . MAN M . ? 1.2028 1.1642 1.1207 -0.0421 0.0049 -0.0020 309 MAN B O4 5681 O O5 . MAN M . ? 1.1886 1.1721 1.1189 -0.0338 0.0107 0.0042 309 MAN B O5 5682 O O6 . MAN M . ? 1.1873 1.1571 1.1171 -0.0268 0.0115 0.0012 309 MAN B O6 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 LYS 1 0 0 LYS LYS B . n A 1 2 SER 2 1 1 SER SER B . n A 1 3 GLU 3 2 2 GLU GLU B . n A 1 4 HIS 4 3 3 HIS HIS B . n A 1 5 GLU 5 4 4 GLU GLU B . n A 1 6 THR 6 5 5 THR THR B . n A 1 7 ARG 7 6 6 ARG ARG B . n A 1 8 LEU 8 7 7 LEU LEU B . n A 1 9 GLU 9 8 8 GLU GLU B . n A 1 10 ALA 10 9 9 ALA ALA B . n A 1 11 LYS 11 10 10 LYS LYS B . n A 1 12 LEU 12 11 11 LEU LEU B . n A 1 13 PHE 13 12 12 PHE PHE B . n A 1 14 LYS 14 13 13 LYS LYS B . n A 1 15 ASP 15 14 14 ASP ASP B . n A 1 16 TYR 16 15 15 TYR TYR B . n A 1 17 SER 17 16 16 SER SER B . n A 1 18 SER 18 17 17 SER SER B . n A 1 19 VAL 19 18 18 VAL VAL B . n A 1 20 VAL 20 19 19 VAL VAL B . n A 1 21 ARG 21 20 20 ARG ARG B . n A 1 22 PRO 22 21 21 PRO PRO B . n A 1 23 VAL 23 22 22 VAL VAL B . n A 1 24 GLU 24 23 23 GLU GLU B . n A 1 25 ASP 25 24 24 ASP ASP B . n A 1 26 HIS 26 25 25 HIS HIS B . n A 1 27 ARG 27 26 26 ARG ARG B . n A 1 28 GLN 28 27 27 GLN GLN B . n A 1 29 VAL 29 28 28 VAL VAL B . n A 1 30 VAL 30 29 29 VAL VAL B . n A 1 31 GLU 31 30 30 GLU GLU B . n A 1 32 VAL 32 31 31 VAL VAL B . n A 1 33 THR 33 32 32 THR THR B . n A 1 34 VAL 34 33 33 VAL VAL B . n A 1 35 GLY 35 34 34 GLY GLY B . n A 1 36 LEU 36 35 35 LEU LEU B . n A 1 37 GLN 37 36 36 GLN GLN B . n A 1 38 LEU 38 37 37 LEU LEU B . n A 1 39 ILE 39 38 38 ILE ILE B . n A 1 40 GLN 40 39 39 GLN GLN B . n A 1 41 LEU 41 40 40 LEU LEU B . n A 1 42 ILE 42 41 41 ILE ILE B . n A 1 43 ASN 43 42 42 ASN ASN B . n A 1 44 VAL 44 43 43 VAL VAL B . n A 1 45 ASP 45 44 44 ASP ASP B . n A 1 46 GLU 46 45 45 GLU GLU B . n A 1 47 VAL 47 46 46 VAL VAL B . n A 1 48 ASN 48 47 47 ASN ASN B . n A 1 49 GLN 49 48 48 GLN GLN B . n A 1 50 ILE 50 49 49 ILE ILE B . n A 1 51 VAL 51 50 50 VAL VAL B . n A 1 52 THR 52 51 51 THR THR B . n A 1 53 THR 53 52 52 THR THR B . n A 1 54 ASN 54 53 53 ASN ASN B . n A 1 55 VAL 55 54 54 VAL VAL B . n A 1 56 ARG 56 55 55 ARG ARG B . n A 1 57 LEU 57 56 56 LEU LEU B . n A 1 58 LYS 58 57 57 LYS LYS B . n A 1 59 GLN 59 58 58 GLN GLN B . n A 1 60 GLN 60 59 59 GLN GLN B . n A 1 61 TRP 61 60 60 TRP TRP B . n A 1 62 VAL 62 61 61 VAL VAL B . n A 1 63 ASP 63 62 62 ASP ASP B . n A 1 64 TYR 64 63 63 TYR TYR B . n A 1 65 ASN 65 64 64 ASN ASN B . n A 1 66 LEU 66 65 65 LEU LEU B . n A 1 67 LYS 67 66 66 LYS LYS B . n A 1 68 TRP 68 67 67 TRP TRP B . n A 1 69 ASN 69 68 68 ASN ASN B . n A 1 70 PRO 70 69 69 PRO PRO B . n A 1 71 ASP 71 70 70 ASP ASP B . n A 1 72 ASP 72 71 71 ASP ASP B . n A 1 73 TYR 73 72 72 TYR TYR B . n A 1 74 GLY 74 73 73 GLY GLY B . n A 1 75 GLY 75 74 74 GLY GLY B . n A 1 76 VAL 76 75 75 VAL VAL B . n A 1 77 LYS 77 76 76 LYS LYS B . n A 1 78 LYS 78 77 77 LYS LYS B . n A 1 79 ILE 79 78 78 ILE ILE B . n A 1 80 HIS 80 79 79 HIS HIS B . n A 1 81 ILE 81 80 80 ILE ILE B . n A 1 82 PRO 82 81 81 PRO PRO B . n A 1 83 SER 83 82 82 SER SER B . n A 1 84 GLU 84 83 83 GLU GLU B . n A 1 85 LYS 85 84 84 LYS LYS B . n A 1 86 ILE 86 85 85 ILE ILE B . n A 1 87 TRP 87 86 86 TRP TRP B . n A 1 88 ARG 88 87 87 ARG ARG B . n A 1 89 PRO 89 88 88 PRO PRO B . n A 1 90 ASP 90 89 89 ASP ASP B . n A 1 91 LEU 91 90 90 LEU LEU B . n A 1 92 VAL 92 91 91 VAL VAL B . n A 1 93 LEU 93 92 92 LEU LEU B . n A 1 94 TYR 94 93 93 TYR TYR B . n A 1 95 ASN 95 94 94 ASN ASN B . n A 1 96 ASN 96 95 95 ASN ASN B . n A 1 97 ALA 97 96 96 ALA ALA B . n A 1 98 ASP 98 97 97 ASP ASP B . n A 1 99 GLY 99 98 98 GLY GLY B . n A 1 100 ASP 100 99 99 ASP ASP B . n A 1 101 PHE 101 100 100 PHE PHE B . n A 1 102 ALA 102 101 101 ALA ALA B . n A 1 103 ILE 103 102 102 ILE ILE B . n A 1 104 VAL 104 103 103 VAL VAL B . n A 1 105 LYS 105 104 104 LYS LYS B . n A 1 106 PHE 106 105 105 PHE PHE B . n A 1 107 THR 107 106 106 THR THR B . n A 1 108 LYS 108 107 107 LYS LYS B . n A 1 109 VAL 109 108 108 VAL VAL B . n A 1 110 LEU 110 109 109 LEU LEU B . n A 1 111 LEU 111 110 110 LEU LEU B . n A 1 112 GLN 112 111 111 GLN GLN B . n A 1 113 TYR 113 112 112 TYR TYR B . n A 1 114 THR 114 113 113 THR THR B . n A 1 115 GLY 115 114 114 GLY GLY B . n A 1 116 HIS 116 115 115 HIS HIS B . n A 1 117 ILE 117 116 116 ILE ILE B . n A 1 118 THR 118 117 117 THR THR B . n A 1 119 TRP 119 118 118 TRP TRP B . n A 1 120 THR 120 119 119 THR THR B . n A 1 121 PRO 121 120 120 PRO PRO B . n A 1 122 PRO 122 121 121 PRO PRO B . n A 1 123 ALA 123 122 122 ALA ALA B . n A 1 124 ILE 124 123 123 ILE ILE B . n A 1 125 PHE 125 124 124 PHE PHE B . n A 1 126 LYS 126 125 125 LYS LYS B . n A 1 127 SER 127 126 126 SER SER B . n A 1 128 TYR 128 127 127 TYR TYR B . n A 1 129 CYS 129 128 128 CYS CYS B . n A 1 130 GLU 130 129 129 GLU GLU B . n A 1 131 ILE 131 130 130 ILE ILE B . n A 1 132 ILE 132 131 131 ILE ILE B . n A 1 133 VAL 133 132 132 VAL VAL B . n A 1 134 THR 134 133 133 THR THR B . n A 1 135 HIS 135 134 134 HIS HIS B . n A 1 136 PHE 136 135 135 PHE PHE B . n A 1 137 PRO 137 136 136 PRO PRO B . n A 1 138 PHE 138 137 137 PHE PHE B . n A 1 139 ASP 139 138 138 ASP ASP B . n A 1 140 GLU 140 139 139 GLU GLU B . n A 1 141 GLN 141 140 140 GLN GLN B . n A 1 142 ASN 142 141 141 ASN ASN B . n A 1 143 CYS 143 142 142 CYS CYS B . n A 1 144 SER 144 143 143 SER SER B . n A 1 145 MET 145 144 144 MET MET B . n A 1 146 LYS 146 145 145 LYS LYS B . n A 1 147 LEU 147 146 146 LEU LEU B . n A 1 148 GLY 148 147 147 GLY GLY B . n A 1 149 THR 149 148 148 THR THR B . n A 1 150 ARG 150 149 149 ARG ARG B . n A 1 151 THR 151 150 150 THR THR B . n A 1 152 TYR 152 151 151 TYR TYR B . n A 1 153 ASP 153 152 152 ASP ASP B . n A 1 154 GLY 154 153 153 GLY GLY B . n A 1 155 SER 155 154 154 SER SER B . n A 1 156 ALA 156 155 155 ALA ALA B . n A 1 157 VAL 157 156 156 VAL VAL B . n A 1 158 ALA 158 157 157 ALA ALA B . n A 1 159 ILE 159 158 158 ILE ILE B . n A 1 160 ASN 160 159 159 ASN ASN B . n A 1 161 PRO 161 160 160 PRO PRO B . n A 1 162 GLU 162 161 161 GLU GLU B . n A 1 163 SER 163 162 162 SER SER B . n A 1 164 ASP 164 163 163 ASP ASP B . n A 1 165 GLN 165 164 164 GLN GLN B . n A 1 166 PRO 166 165 165 PRO PRO B . n A 1 167 ASP 167 166 166 ASP ASP B . n A 1 168 LEU 168 167 167 LEU LEU B . n A 1 169 SER 169 168 168 SER SER B . n A 1 170 ASN 170 169 169 ASN ASN B . n A 1 171 PHE 171 170 170 PHE PHE B . n A 1 172 MET 172 171 171 MET MET B . n A 1 173 GLU 173 172 172 GLU GLU B . n A 1 174 SER 174 173 173 SER SER B . n A 1 175 GLY 175 174 174 GLY GLY B . n A 1 176 GLU 176 175 175 GLU GLU B . n A 1 177 TRP 177 176 176 TRP TRP B . n A 1 178 VAL 178 177 177 VAL VAL B . n A 1 179 ILE 179 178 178 ILE ILE B . n A 1 180 LYS 180 179 179 LYS LYS B . n A 1 181 GLU 181 180 180 GLU GLU B . n A 1 182 SER 182 181 181 SER SER B . n A 1 183 ARG 183 182 182 ARG ARG B . n A 1 184 GLY 184 183 183 GLY GLY B . n A 1 185 TRP 185 184 184 TRP TRP B . n A 1 186 LYS 186 185 185 LYS LYS B . n A 1 187 HIS 187 186 186 HIS HIS B . n A 1 188 SER 188 187 187 SER SER B . n A 1 189 VAL 189 188 188 VAL VAL B . n A 1 190 THR 190 189 189 THR THR B . n A 1 191 TYR 191 190 190 TYR TYR B . n A 1 192 SER 192 191 191 SER SER B . n A 1 193 CYS 193 192 192 CYS CYS B . n A 1 194 CYS 194 193 193 CYS CYS B . n A 1 195 PRO 195 194 194 PRO PRO B . n A 1 196 ASP 196 195 195 ASP ASP B . n A 1 197 THR 197 196 196 THR THR B . n A 1 198 PRO 198 197 197 PRO PRO B . n A 1 199 TYR 199 198 198 TYR TYR B . n A 1 200 LEU 200 199 199 LEU LEU B . n A 1 201 ASP 201 200 200 ASP ASP B . n A 1 202 ILE 202 201 201 ILE ILE B . n A 1 203 THR 203 202 202 THR THR B . n A 1 204 TYR 204 203 203 TYR TYR B . n A 1 205 HIS 205 204 204 HIS HIS B . n A 1 206 PHE 206 205 205 PHE PHE B . n A 1 207 VAL 207 206 206 VAL VAL B . n A 1 208 MET 208 207 207 MET MET B . n A 1 209 GLN 209 208 208 GLN GLN B . n A 1 210 ARG 210 209 209 ARG ARG B . n A 1 211 LEU 211 210 210 LEU LEU B . n A 1 212 PRO 212 211 211 PRO PRO B . n B 2 1 ASP 1 1 1 ASP ASP C . n B 2 2 ILE 2 2 2 ILE ILE C . n B 2 3 VAL 3 3 3 VAL VAL C . n B 2 4 ILE 4 4 4 ILE ILE C . n B 2 5 THR 5 5 5 THR THR C . n B 2 6 GLN 6 6 6 GLN GLN C . n B 2 7 SER 7 7 7 SER SER C . n B 2 8 PRO 8 8 8 PRO PRO C . n B 2 9 SER 9 9 9 SER SER C . n B 2 10 LEU 10 10 10 LEU LEU C . n B 2 11 LEU 11 11 11 LEU LEU C . n B 2 12 SER 12 12 12 SER SER C . n B 2 13 ALA 13 13 13 ALA ALA C . n B 2 14 SER 14 14 14 SER SER C . n B 2 15 VAL 15 15 15 VAL VAL C . n B 2 16 GLY 16 16 16 GLY GLY C . n B 2 17 ASP 17 17 17 ASP ASP C . n B 2 18 ARG 18 18 18 ARG ARG C . n B 2 19 VAL 19 19 19 VAL VAL C . n B 2 20 THR 20 20 20 THR THR C . n B 2 21 LEU 21 21 21 LEU LEU C . n B 2 22 THR 22 22 22 THR THR C . n B 2 23 CYS 23 23 23 CYS CYS C . n B 2 24 LYS 24 24 24 LYS LYS C . n B 2 25 GLY 25 25 25 GLY GLY C . n B 2 26 SER 26 26 26 SER SER C . n B 2 27 GLN 27 27 27 GLN GLN C . n B 2 28 ASN 28 28 28 ASN ASN C . n B 2 29 ILE 29 29 29 ILE ILE C . n B 2 30 ASP 30 30 30 ASP ASP C . n B 2 31 ASN 31 31 31 ASN ASN C . n B 2 32 TYR 32 32 32 TYR TYR C . n B 2 33 LEU 33 33 33 LEU LEU C . n B 2 34 ALA 34 34 34 ALA ALA C . n B 2 35 TRP 35 35 35 TRP TRP C . n B 2 36 TYR 36 36 36 TYR TYR C . n B 2 37 GLN 37 37 37 GLN GLN C . n B 2 38 GLN 38 38 38 GLN GLN C . n B 2 39 LYS 39 39 39 LYS LYS C . n B 2 40 LEU 40 40 40 LEU LEU C . n B 2 41 GLY 41 41 41 GLY GLY C . n B 2 42 GLU 42 42 42 GLU GLU C . n B 2 43 ALA 43 43 43 ALA ALA C . n B 2 44 PRO 44 44 44 PRO PRO C . n B 2 45 LYS 45 45 45 LYS LYS C . n B 2 46 LEU 46 46 46 LEU LEU C . n B 2 47 LEU 47 47 47 LEU LEU C . n B 2 48 ILE 48 48 48 ILE ILE C . n B 2 49 TYR 49 49 49 TYR TYR C . n B 2 50 LYS 50 50 50 LYS LYS C . n B 2 51 THR 51 51 51 THR THR C . n B 2 52 ASN 52 52 52 ASN ASN C . n B 2 53 SER 53 53 53 SER SER C . n B 2 54 LEU 54 54 54 LEU LEU C . n B 2 55 GLN 55 55 55 GLN GLN C . n B 2 56 THR 56 56 56 THR THR C . n B 2 57 GLY 57 57 57 GLY GLY C . n B 2 58 ILE 58 58 58 ILE ILE C . n B 2 59 PRO 59 59 59 PRO PRO C . n B 2 60 SER 60 60 60 SER SER C . n B 2 61 ARG 61 61 61 ARG ARG C . n B 2 62 PHE 62 62 62 PHE PHE C . n B 2 63 SER 63 63 63 SER SER C . n B 2 64 GLY 64 64 64 GLY GLY C . n B 2 65 SER 65 65 65 SER SER C . n B 2 66 GLY 66 66 66 GLY GLY C . n B 2 67 SER 67 67 67 SER SER C . n B 2 68 GLY 68 68 68 GLY GLY C . n B 2 69 THR 69 69 69 THR THR C . n B 2 70 ASP 70 70 70 ASP ASP C . n B 2 71 TYR 71 71 71 TYR TYR C . n B 2 72 THR 72 72 72 THR THR C . n B 2 73 LEU 73 73 73 LEU LEU C . n B 2 74 THR 74 74 74 THR THR C . n B 2 75 ILE 75 75 75 ILE ILE C . n B 2 76 SER 76 76 76 SER SER C . n B 2 77 SER 77 77 77 SER SER C . n B 2 78 LEU 78 78 78 LEU LEU C . n B 2 79 HIS 79 79 79 HIS HIS C . n B 2 80 SER 80 80 80 SER SER C . n B 2 81 GLU 81 81 81 GLU GLU C . n B 2 82 ASP 82 82 82 ASP ASP C . n B 2 83 LEU 83 83 83 LEU LEU C . n B 2 84 ALA 84 84 84 ALA ALA C . n B 2 85 THR 85 85 85 THR THR C . n B 2 86 TYR 86 86 86 TYR TYR C . n B 2 87 TYR 87 87 87 TYR TYR C . n B 2 88 CYS 88 88 88 CYS CYS C . n B 2 89 TYR 89 89 89 TYR TYR C . n B 2 90 GLN 90 90 90 GLN GLN C . n B 2 91 TYR 91 91 91 TYR TYR C . n B 2 92 ILE 92 92 92 ILE ILE C . n B 2 93 ASN 93 93 93 ASN ASN C . n B 2 94 GLY 94 94 94 GLY GLY C . n B 2 95 TYR 95 95 95 TYR TYR C . n B 2 96 THR 96 96 96 THR THR C . n B 2 97 PHE 97 97 97 PHE PHE C . n B 2 98 GLY 98 98 98 GLY GLY C . n B 2 99 THR 99 99 99 THR THR C . n B 2 100 GLY 100 100 100 GLY GLY C . n B 2 101 THR 101 101 101 THR THR C . n B 2 102 LYS 102 102 102 LYS LYS C . n B 2 103 LEU 103 103 103 LEU LEU C . n B 2 104 GLU 104 104 104 GLU GLU C . n B 2 105 LEU 105 105 105 LEU LEU C . n B 2 106 LYS 106 106 106 LYS LYS C . n B 2 107 ARG 107 107 107 ARG ARG C . n B 2 108 ALA 108 108 108 ALA ALA C . n B 2 109 ASP 109 109 109 ASP ASP C . n B 2 110 ALA 110 110 110 ALA ALA C . n B 2 111 ALA 111 111 111 ALA ALA C . n B 2 112 PRO 112 112 112 PRO PRO C . n B 2 113 THR 113 113 113 THR THR C . n B 2 114 VAL 114 114 114 VAL VAL C . n B 2 115 SER 115 115 115 SER SER C . n B 2 116 ILE 116 116 116 ILE ILE C . n B 2 117 PHE 117 117 117 PHE PHE C . n B 2 118 PRO 118 118 118 PRO PRO C . n B 2 119 PRO 119 119 119 PRO PRO C . n B 2 120 SER 120 120 120 SER SER C . n B 2 121 THR 121 121 121 THR THR C . n B 2 122 GLU 122 122 122 GLU GLU C . n B 2 123 GLN 123 123 123 GLN GLN C . n B 2 124 LEU 124 124 124 LEU LEU C . n B 2 125 ALA 125 125 125 ALA ALA C . n B 2 126 THR 126 126 126 THR THR C . n B 2 127 GLY 127 127 127 GLY GLY C . n B 2 128 GLY 128 128 128 GLY GLY C . n B 2 129 ALA 129 129 129 ALA ALA C . n B 2 130 SER 130 130 130 SER SER C . n B 2 131 VAL 131 131 131 VAL VAL C . n B 2 132 VAL 132 132 132 VAL VAL C . n B 2 133 CYS 133 133 133 CYS CYS C . n B 2 134 LEU 134 134 134 LEU LEU C . n B 2 135 MET 135 135 135 MET MET C . n B 2 136 ASN 136 136 136 ASN ASN C . n B 2 137 ASN 137 137 137 ASN ASN C . n B 2 138 PHE 138 138 138 PHE PHE C . n B 2 139 TYR 139 139 139 TYR TYR C . n B 2 140 PRO 140 140 140 PRO PRO C . n B 2 141 ARG 141 141 141 ARG ARG C . n B 2 142 ASP 142 142 142 ASP ASP C . n B 2 143 ILE 143 143 143 ILE ILE C . n B 2 144 SER 144 144 144 SER SER C . n B 2 145 VAL 145 145 145 VAL VAL C . n B 2 146 LYS 146 146 146 LYS LYS C . n B 2 147 TRP 147 147 147 TRP TRP C . n B 2 148 LYS 148 148 148 LYS LYS C . n B 2 149 ILE 149 149 149 ILE ILE C . n B 2 150 ASP 150 150 150 ASP ASP C . n B 2 151 GLY 151 151 151 GLY GLY C . n B 2 152 THR 152 152 152 THR THR C . n B 2 153 GLU 153 153 153 GLU GLU C . n B 2 154 ARG 154 154 154 ARG ARG C . n B 2 155 ARG 155 155 155 ARG ARG C . n B 2 156 ASP 156 156 156 ASP ASP C . n B 2 157 GLY 157 157 157 GLY GLY C . n B 2 158 VAL 158 158 158 VAL VAL C . n B 2 159 LEU 159 159 159 LEU LEU C . n B 2 160 ASP 160 160 160 ASP ASP C . n B 2 161 SER 161 161 161 SER SER C . n B 2 162 VAL 162 162 162 VAL VAL C . n B 2 163 THR 163 163 163 THR THR C . n B 2 164 ASP 164 164 164 ASP ASP C . n B 2 165 GLN 165 165 165 GLN GLN C . n B 2 166 ASP 166 166 166 ASP ASP C . n B 2 167 SER 167 167 167 SER SER C . n B 2 168 LYS 168 168 168 LYS LYS C . n B 2 169 ASP 169 169 169 ASP ASP C . n B 2 170 SER 170 170 170 SER SER C . n B 2 171 THR 171 171 171 THR THR C . n B 2 172 TYR 172 172 172 TYR TYR C . n B 2 173 SER 173 173 173 SER SER C . n B 2 174 MET 174 174 174 MET MET C . n B 2 175 SER 175 175 175 SER SER C . n B 2 176 SER 176 176 176 SER SER C . n B 2 177 THR 177 177 177 THR THR C . n B 2 178 LEU 178 178 178 LEU LEU C . n B 2 179 SER 179 179 179 SER SER C . n B 2 180 LEU 180 180 180 LEU LEU C . n B 2 181 THR 181 181 181 THR THR C . n B 2 182 LYS 182 182 182 LYS LYS C . n B 2 183 ALA 183 183 183 ALA ALA C . n B 2 184 ASP 184 184 184 ASP ASP C . n B 2 185 TYR 185 185 185 TYR TYR C . n B 2 186 GLU 186 186 186 GLU GLU C . n B 2 187 SER 187 187 187 SER SER C . n B 2 188 HIS 188 188 188 HIS HIS C . n B 2 189 ASN 189 189 189 ASN ASN C . n B 2 190 LEU 190 190 190 LEU LEU C . n B 2 191 TYR 191 191 191 TYR TYR C . n B 2 192 THR 192 192 192 THR THR C . n B 2 193 CYS 193 193 193 CYS CYS C . n B 2 194 GLU 194 194 194 GLU GLU C . n B 2 195 VAL 195 195 195 VAL VAL C . n B 2 196 VAL 196 196 196 VAL VAL C . n B 2 197 HIS 197 197 197 HIS HIS C . n B 2 198 LYS 198 198 198 LYS LYS C . n B 2 199 THR 199 199 199 THR THR C . n B 2 200 SER 200 200 200 SER SER C . n B 2 201 SER 201 201 201 SER SER C . n B 2 202 SER 202 202 202 SER SER C . n B 2 203 PRO 203 203 203 PRO PRO C . n B 2 204 VAL 204 204 204 VAL VAL C . n B 2 205 VAL 205 205 205 VAL VAL C . n B 2 206 LYS 206 206 206 LYS LYS C . n B 2 207 SER 207 207 207 SER SER C . n B 2 208 PHE 208 208 208 PHE PHE C . n B 2 209 ASN 209 209 209 ASN ASN C . n B 2 210 ARG 210 210 210 ARG ARG C . n B 2 211 ASN 211 211 211 ASN ASN C . n B 2 212 GLU 212 212 212 GLU GLU C . n B 2 213 CYS 213 213 ? ? ? C . n C 3 1 GLU 1 1 1 GLU GLU D . n C 3 2 VAL 2 2 2 VAL VAL D . n C 3 3 GLN 3 3 3 GLN GLN D . n C 3 4 LEU 4 4 4 LEU LEU D . n C 3 5 GLN 5 5 5 GLN GLN D . n C 3 6 GLU 6 6 6 GLU GLU D . n C 3 7 SER 7 7 7 SER SER D . n C 3 8 GLY 8 8 8 GLY GLY D . n C 3 9 PRO 9 9 9 PRO PRO D . n C 3 10 GLY 10 10 10 GLY GLY D . n C 3 11 LEU 11 11 11 LEU LEU D . n C 3 12 VAL 12 12 12 VAL VAL D . n C 3 13 GLN 13 13 13 GLN GLN D . n C 3 14 PRO 14 14 14 PRO PRO D . n C 3 15 SER 15 15 15 SER SER D . n C 3 16 GLU 16 16 16 GLU GLU D . n C 3 17 THR 17 17 17 THR THR D . n C 3 18 LEU 18 18 18 LEU LEU D . n C 3 19 SER 19 19 19 SER SER D . n C 3 20 LEU 20 20 20 LEU LEU D . n C 3 21 THR 21 21 21 THR THR D . n C 3 22 CYS 22 22 22 CYS CYS D . n C 3 23 THR 23 23 23 THR THR D . n C 3 24 VAL 24 24 24 VAL VAL D . n C 3 25 SER 25 25 25 SER SER D . n C 3 26 GLY 26 26 26 GLY GLY D . n C 3 27 PHE 27 27 27 PHE PHE D . n C 3 28 SER 28 28 28 SER SER D . n C 3 29 LEU 29 29 29 LEU LEU D . n C 3 30 THR 30 30 30 THR THR D . n C 3 31 SER 31 31 31 SER SER D . n C 3 32 TYR 32 32 32 TYR TYR D . n C 3 33 SER 33 33 33 SER SER D . n C 3 34 VAL 34 34 34 VAL VAL D . n C 3 35 SER 35 35 35 SER SER D . n C 3 36 TRP 36 36 36 TRP TRP D . n C 3 37 LEU 37 37 37 LEU LEU D . n C 3 38 ARG 38 38 38 ARG ARG D . n C 3 39 GLN 39 39 39 GLN GLN D . n C 3 40 PRO 40 40 40 PRO PRO D . n C 3 41 SER 41 41 41 SER SER D . n C 3 42 GLY 42 42 42 GLY GLY D . n C 3 43 LYS 43 43 43 LYS LYS D . n C 3 44 GLY 44 44 44 GLY GLY D . n C 3 45 PRO 45 45 45 PRO PRO D . n C 3 46 GLU 46 46 46 GLU GLU D . n C 3 47 TRP 47 47 47 TRP TRP D . n C 3 48 MET 48 48 48 MET MET D . n C 3 49 GLY 49 49 49 GLY GLY D . n C 3 50 ARG 50 50 50 ARG ARG D . n C 3 51 MET 51 51 51 MET MET D . n C 3 52 TRP 52 52 52 TRP TRP D . n C 3 53 ASP 53 53 53 ASP ASP D . n C 3 54 ASP 54 54 54 ASP ASP D . n C 3 55 GLY 55 55 55 GLY GLY D . n C 3 56 GLY 56 56 56 GLY GLY D . n C 3 57 THR 57 57 57 THR THR D . n C 3 58 VAL 58 58 58 VAL VAL D . n C 3 59 TYR 59 59 59 TYR TYR D . n C 3 60 ASN 60 60 60 ASN ASN D . n C 3 61 SER 61 61 61 SER SER D . n C 3 62 GLY 62 62 62 GLY GLY D . n C 3 63 LEU 63 63 63 LEU LEU D . n C 3 64 LYS 64 64 64 LYS LYS D . n C 3 65 SER 65 65 65 SER SER D . n C 3 66 ARG 66 66 66 ARG ARG D . n C 3 67 LEU 67 67 67 LEU LEU D . n C 3 68 SER 68 68 68 SER SER D . n C 3 69 ILE 69 69 69 ILE ILE D . n C 3 70 SER 70 70 70 SER SER D . n C 3 71 ARG 71 71 71 ARG ARG D . n C 3 72 ASP 72 72 72 ASP ASP D . n C 3 73 THR 73 73 73 THR THR D . n C 3 74 SER 74 74 74 SER SER D . n C 3 75 LYS 75 75 75 LYS LYS D . n C 3 76 ASN 76 76 76 ASN ASN D . n C 3 77 GLN 77 77 77 GLN GLN D . n C 3 78 VAL 78 78 78 VAL VAL D . n C 3 79 PHE 79 79 79 PHE PHE D . n C 3 80 LEU 80 80 80 LEU LEU D . n C 3 81 LYS 81 81 81 LYS LYS D . n C 3 82 MET 82 82 82 MET MET D . n C 3 83 ASN 83 83 83 ASN ASN D . n C 3 84 SER 84 84 84 SER SER D . n C 3 85 LEU 85 85 85 LEU LEU D . n C 3 86 GLN 86 86 86 GLN GLN D . n C 3 87 THR 87 87 87 THR THR D . n C 3 88 ASP 88 88 88 ASP ASP D . n C 3 89 ASP 89 89 89 ASP ASP D . n C 3 90 THR 90 90 90 THR THR D . n C 3 91 GLY 91 91 91 GLY GLY D . n C 3 92 THR 92 92 92 THR THR D . n C 3 93 TYR 93 93 93 TYR TYR D . n C 3 94 TYR 94 94 94 TYR TYR D . n C 3 95 CYS 95 95 95 CYS CYS D . n C 3 96 THR 96 96 96 THR THR D . n C 3 97 ARG 97 97 97 ARG ARG D . n C 3 98 ASP 98 98 98 ASP ASP D . n C 3 99 GLU 99 99 99 GLU GLU D . n C 3 100 ARG 100 100 100 ARG ARG D . n C 3 101 ILE 101 101 101 ILE ILE D . n C 3 102 ARG 102 102 102 ARG ARG D . n C 3 103 ALA 103 103 103 ALA ALA D . n C 3 104 ILE 104 104 104 ILE ILE D . n C 3 105 ASN 105 105 105 ASN ASN D . n C 3 106 TRP 106 106 106 TRP TRP D . n C 3 107 PHE 107 107 107 PHE PHE D . n C 3 108 ALA 108 108 108 ALA ALA D . n C 3 109 TYR 109 109 109 TYR TYR D . n C 3 110 TRP 110 110 110 TRP TRP D . n C 3 111 GLY 111 111 111 GLY GLY D . n C 3 112 GLN 112 112 112 GLN GLN D . n C 3 113 GLY 113 113 113 GLY GLY D . n C 3 114 THR 114 114 114 THR THR D . n C 3 115 LEU 115 115 115 LEU LEU D . n C 3 116 VAL 116 116 116 VAL VAL D . n C 3 117 THR 117 117 117 THR THR D . n C 3 118 VAL 118 118 118 VAL VAL D . n C 3 119 SER 119 119 119 SER SER D . n C 3 120 SER 120 120 120 SER SER D . n C 3 121 ALA 121 121 121 ALA ALA D . n C 3 122 GLU 122 122 122 GLU GLU D . n C 3 123 THR 123 123 123 THR THR D . n C 3 124 THR 124 124 124 THR THR D . n C 3 125 ALA 125 125 125 ALA ALA D . n C 3 126 PRO 126 126 126 PRO PRO D . n C 3 127 SER 127 127 127 SER SER D . n C 3 128 VAL 128 128 128 VAL VAL D . n C 3 129 TYR 129 129 129 TYR TYR D . n C 3 130 PRO 130 130 130 PRO PRO D . n C 3 131 LEU 131 131 131 LEU LEU D . n C 3 132 ALA 132 132 132 ALA ALA D . n C 3 133 PRO 133 133 133 PRO PRO D . n C 3 134 GLY 134 134 134 GLY GLY D . n C 3 135 THR 135 135 135 THR THR D . n C 3 136 ALA 136 136 136 ALA ALA D . n C 3 137 LEU 137 137 137 LEU LEU D . n C 3 138 LYS 138 138 138 LYS LYS D . n C 3 139 SER 139 139 139 SER SER D . n C 3 140 ASN 140 140 140 ASN ASN D . n C 3 141 SER 141 141 141 SER SER D . n C 3 142 MET 142 142 142 MET MET D . n C 3 143 VAL 143 143 143 VAL VAL D . n C 3 144 THR 144 144 144 THR THR D . n C 3 145 LEU 145 145 145 LEU LEU D . n C 3 146 GLY 146 146 146 GLY GLY D . n C 3 147 CYS 147 147 147 CYS CYS D . n C 3 148 LEU 148 148 148 LEU LEU D . n C 3 149 VAL 149 149 149 VAL VAL D . n C 3 150 LYS 150 150 150 LYS LYS D . n C 3 151 GLY 151 151 151 GLY GLY D . n C 3 152 TYR 152 152 152 TYR TYR D . n C 3 153 PHE 153 153 153 PHE PHE D . n C 3 154 PRO 154 154 154 PRO PRO D . n C 3 155 GLU 155 155 155 GLU GLU D . n C 3 156 PRO 156 156 156 PRO PRO D . n C 3 157 VAL 157 157 157 VAL VAL D . n C 3 158 THR 158 158 158 THR THR D . n C 3 159 VAL 159 159 159 VAL VAL D . n C 3 160 THR 160 160 160 THR THR D . n C 3 161 TRP 161 161 161 TRP TRP D . n C 3 162 ASN 162 162 162 ASN ASN D . n C 3 163 SER 163 163 163 SER SER D . n C 3 164 GLY 164 164 164 GLY GLY D . n C 3 165 ALA 165 165 165 ALA ALA D . n C 3 166 LEU 166 166 166 LEU LEU D . n C 3 167 SER 167 167 167 SER SER D . n C 3 168 SER 168 168 168 SER SER D . n C 3 169 GLY 169 169 169 GLY GLY D . n C 3 170 VAL 170 170 170 VAL VAL D . n C 3 171 HIS 171 171 171 HIS HIS D . n C 3 172 THR 172 172 172 THR THR D . n C 3 173 PHE 173 173 173 PHE PHE D . n C 3 174 PRO 174 174 174 PRO PRO D . n C 3 175 ALA 175 175 175 ALA ALA D . n C 3 176 VAL 176 176 176 VAL VAL D . n C 3 177 LEU 177 177 177 LEU LEU D . n C 3 178 GLN 178 178 178 GLN GLN D . n C 3 179 SER 179 179 179 SER SER D . n C 3 180 GLY 180 180 180 GLY GLY D . n C 3 181 LEU 181 181 181 LEU LEU D . n C 3 182 TYR 182 182 182 TYR TYR D . n C 3 183 THR 183 183 183 THR THR D . n C 3 184 LEU 184 184 184 LEU LEU D . n C 3 185 THR 185 185 185 THR THR D . n C 3 186 SER 186 186 186 SER SER D . n C 3 187 SER 187 187 187 SER SER D . n C 3 188 VAL 188 188 188 VAL VAL D . n C 3 189 THR 189 189 189 THR THR D . n C 3 190 VAL 190 190 190 VAL VAL D . n C 3 191 PRO 191 191 191 PRO PRO D . n C 3 192 SER 192 192 192 SER SER D . n C 3 193 SER 193 193 193 SER SER D . n C 3 194 THR 194 194 194 THR THR D . n C 3 195 TRP 195 195 195 TRP TRP D . n C 3 196 PRO 196 196 196 PRO PRO D . n C 3 197 SER 197 197 197 SER SER D . n C 3 198 GLN 198 198 198 GLN GLN D . n C 3 199 THR 199 199 199 THR THR D . n C 3 200 VAL 200 200 200 VAL VAL D . n C 3 201 THR 201 201 201 THR THR D . n C 3 202 CYS 202 202 202 CYS CYS D . n C 3 203 ASN 203 203 203 ASN ASN D . n C 3 204 VAL 204 204 204 VAL VAL D . n C 3 205 ALA 205 205 205 ALA ALA D . n C 3 206 HIS 206 206 206 HIS HIS D . n C 3 207 PRO 207 207 207 PRO PRO D . n C 3 208 GLY 208 208 208 GLY GLY D . n C 3 209 GLN 209 209 209 GLN GLN D . n C 3 210 GLN 210 210 210 GLN GLN D . n C 3 211 HIS 211 211 211 HIS HIS D . n C 3 212 GLN 212 212 212 GLN GLN D . n C 3 213 ARG 213 213 213 ARG ARG D . n C 3 214 TRP 214 214 214 TRP TRP D . n C 3 215 THR 215 215 215 THR THR D . n C 3 216 ARG 216 216 216 ARG ARG D . n C 3 217 LYS 217 217 217 LYS LYS D . n C 3 218 LEU 218 218 218 LEU LEU D . n C 3 219 CYS 219 219 219 CYS CYS D . n D 4 1 ILE 1 1 1 ILE ILE A . n D 4 2 VAL 2 2 2 VAL VAL A . n D 4 3 CYS 3 3 3 CYS CYS A . n D 4 4 HIS 4 4 4 HIS HIS A . n D 4 5 THR 5 5 5 THR THR A . n D 4 6 THR 6 6 6 THR THR A . n D 4 7 ALA 7 7 7 ALA ALA A . n D 4 8 THR 8 8 8 THR THR A . n D 4 9 SER 9 9 9 SER SER A . n D 4 10 PRO 10 10 10 PRO PRO A . n D 4 11 ILE 11 11 11 ILE ILE A . n D 4 12 SER 12 12 12 SER SER A . n D 4 13 ALA 13 13 13 ALA ALA A . n D 4 14 VAL 14 14 14 VAL VAL A . n D 4 15 THR 15 15 15 THR THR A . n D 4 16 CYS 16 16 16 CYS CYS A . n D 4 17 PRO 17 17 17 PRO PRO A . n D 4 18 PRO 18 18 18 PRO PRO A . n D 4 19 GLY 19 19 19 GLY GLY A . n D 4 20 GLU 20 20 20 GLU GLU A . n D 4 21 ASN 21 21 21 ASN ASN A . n D 4 22 LEU 22 22 22 LEU LEU A . n D 4 23 CYS 23 23 23 CYS CYS A . n D 4 24 TYR 24 24 24 TYR TYR A . n D 4 25 ARG 25 25 25 ARG ARG A . n D 4 26 LYS 26 26 26 LYS LYS A . n D 4 27 MET 27 27 27 MET MET A . n D 4 28 TRP 28 28 28 TRP TRP A . n D 4 29 CYS 29 29 29 CYS CYS A . n D 4 30 ASP 30 30 30 ASP ASP A . n D 4 31 VAL 31 31 31 VAL VAL A . n D 4 32 PHE 32 32 32 PHE PHE A . n D 4 33 CYS 33 33 33 CYS CYS A . n D 4 34 SER 34 34 34 SER SER A . n D 4 35 SER 35 35 35 SER SER A . n D 4 36 ARG 36 36 36 ARG ARG A . n D 4 37 GLY 37 37 37 GLY GLY A . n D 4 38 LYS 38 38 38 LYS LYS A . n D 4 39 VAL 39 39 39 VAL VAL A . n D 4 40 VAL 40 40 40 VAL VAL A . n D 4 41 GLU 41 41 41 GLU GLU A . n D 4 42 LEU 42 42 42 LEU LEU A . n D 4 43 GLY 43 43 43 GLY GLY A . n D 4 44 CYS 44 44 44 CYS CYS A . n D 4 45 ALA 45 45 45 ALA ALA A . n D 4 46 ALA 46 46 46 ALA ALA A . n D 4 47 THR 47 47 47 THR THR A . n D 4 48 CYS 48 48 48 CYS CYS A . n D 4 49 PRO 49 49 49 PRO PRO A . n D 4 50 SER 50 50 50 SER SER A . n D 4 51 LYS 51 51 51 LYS LYS A . n D 4 52 LYS 52 52 52 LYS LYS A . n D 4 53 PRO 53 53 53 PRO PRO A . n D 4 54 TYR 54 54 54 TYR TYR A . n D 4 55 GLU 55 55 55 GLU GLU A . n D 4 56 GLU 56 56 56 GLU GLU A . n D 4 57 VAL 57 57 57 VAL VAL A . n D 4 58 THR 58 58 58 THR THR A . n D 4 59 CYS 59 59 59 CYS CYS A . n D 4 60 CYS 60 60 60 CYS CYS A . n D 4 61 SER 61 61 61 SER SER A . n D 4 62 THR 62 62 62 THR THR A . n D 4 63 ASP 63 63 63 ASP ASP A . n D 4 64 LYS 64 64 64 LYS LYS A . n D 4 65 CYS 65 65 65 CYS CYS A . n D 4 66 ASN 66 66 66 ASN ASN A . n D 4 67 PRO 67 67 67 PRO PRO A . n D 4 68 HIS 68 68 68 HIS HIS A . n D 4 69 PRO 69 69 69 PRO PRO A . n D 4 70 LYS 70 70 70 LYS LYS A . n D 4 71 GLN 71 71 71 GLN GLN A . n D 4 72 ARG 72 72 72 ARG ARG A . n D 4 73 PRO 73 73 73 PRO PRO A . n D 4 74 GLY 74 74 74 GLY GLY A . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code E 5 NAG 1 301 302 NAG NAG B . F 5 NAG 2 302 303 NAG NAG B . G 6 BMA 3 303 304 BMA BMA B . H 7 MAN 4 304 305 MAN MAN B . I 7 MAN 5 305 306 MAN MAN B . J 7 MAN 6 306 307 MAN MAN B . K 7 MAN 7 307 308 MAN MAN B . L 7 MAN 8 308 309 MAN MAN B . M 7 MAN 9 309 311 MAN MAN B . N 8 HOH 1 401 70 HOH HOH B . N 8 HOH 2 402 13 HOH HOH B . N 8 HOH 3 403 9 HOH HOH B . N 8 HOH 4 404 129 HOH HOH B . N 8 HOH 5 405 16 HOH HOH B . N 8 HOH 6 406 82 HOH HOH B . N 8 HOH 7 407 43 HOH HOH B . N 8 HOH 8 408 89 HOH HOH B . N 8 HOH 9 409 29 HOH HOH B . N 8 HOH 10 410 71 HOH HOH B . N 8 HOH 11 411 131 HOH HOH B . N 8 HOH 12 412 130 HOH HOH B . N 8 HOH 13 413 132 HOH HOH B . N 8 HOH 14 414 68 HOH HOH B . N 8 HOH 15 415 112 HOH HOH B . N 8 HOH 16 416 106 HOH HOH B . N 8 HOH 17 417 15 HOH HOH B . N 8 HOH 18 418 56 HOH HOH B . N 8 HOH 19 419 127 HOH HOH B . N 8 HOH 20 420 74 HOH HOH B . N 8 HOH 21 421 88 HOH HOH B . N 8 HOH 22 422 39 HOH HOH B . N 8 HOH 23 423 1 HOH HOH B . N 8 HOH 24 424 87 HOH HOH B . N 8 HOH 25 425 125 HOH HOH B . N 8 HOH 26 426 46 HOH HOH B . N 8 HOH 27 427 103 HOH HOH B . N 8 HOH 28 428 52 HOH HOH B . N 8 HOH 29 429 63 HOH HOH B . N 8 HOH 30 430 45 HOH HOH B . N 8 HOH 31 431 101 HOH HOH B . N 8 HOH 32 432 17 HOH HOH B . N 8 HOH 33 433 64 HOH HOH B . N 8 HOH 34 434 107 HOH HOH B . N 8 HOH 35 435 124 HOH HOH B . N 8 HOH 36 436 57 HOH HOH B . N 8 HOH 37 437 24 HOH HOH B . O 8 HOH 1 301 117 HOH HOH C . O 8 HOH 2 302 114 HOH HOH C . O 8 HOH 3 303 25 HOH HOH C . O 8 HOH 4 304 115 HOH HOH C . O 8 HOH 5 305 58 HOH HOH C . O 8 HOH 6 306 122 HOH HOH C . O 8 HOH 7 307 120 HOH HOH C . O 8 HOH 8 308 54 HOH HOH C . O 8 HOH 9 309 113 HOH HOH C . O 8 HOH 10 310 28 HOH HOH C . O 8 HOH 11 311 42 HOH HOH C . O 8 HOH 12 312 61 HOH HOH C . O 8 HOH 13 313 121 HOH HOH C . O 8 HOH 14 314 105 HOH HOH C . O 8 HOH 15 315 33 HOH HOH C . O 8 HOH 16 316 85 HOH HOH C . O 8 HOH 17 317 32 HOH HOH C . O 8 HOH 18 318 26 HOH HOH C . O 8 HOH 19 319 73 HOH HOH C . O 8 HOH 20 320 35 HOH HOH C . O 8 HOH 21 321 123 HOH HOH C . O 8 HOH 22 322 41 HOH HOH C . O 8 HOH 23 323 18 HOH HOH C . P 8 HOH 1 301 4 HOH HOH D . P 8 HOH 2 302 49 HOH HOH D . P 8 HOH 3 303 27 HOH HOH D . P 8 HOH 4 304 102 HOH HOH D . P 8 HOH 5 305 66 HOH HOH D . P 8 HOH 6 306 8 HOH HOH D . P 8 HOH 7 307 5 HOH HOH D . P 8 HOH 8 308 116 HOH HOH D . P 8 HOH 9 309 19 HOH HOH D . P 8 HOH 10 310 31 HOH HOH D . P 8 HOH 11 311 22 HOH HOH D . P 8 HOH 12 312 104 HOH HOH D . P 8 HOH 13 313 44 HOH HOH D . P 8 HOH 14 314 21 HOH HOH D . P 8 HOH 15 315 34 HOH HOH D . P 8 HOH 16 316 3 HOH HOH D . P 8 HOH 17 317 133 HOH HOH D . P 8 HOH 18 318 59 HOH HOH D . P 8 HOH 19 319 67 HOH HOH D . P 8 HOH 20 320 14 HOH HOH D . P 8 HOH 21 321 76 HOH HOH D . P 8 HOH 22 322 60 HOH HOH D . P 8 HOH 23 323 78 HOH HOH D . P 8 HOH 24 324 2 HOH HOH D . P 8 HOH 25 325 50 HOH HOH D . P 8 HOH 26 326 12 HOH HOH D . P 8 HOH 27 327 119 HOH HOH D . P 8 HOH 28 328 40 HOH HOH D . P 8 HOH 29 329 77 HOH HOH D . P 8 HOH 30 330 84 HOH HOH D . P 8 HOH 31 331 55 HOH HOH D . P 8 HOH 32 332 81 HOH HOH D . P 8 HOH 33 333 80 HOH HOH D . P 8 HOH 34 334 51 HOH HOH D . P 8 HOH 35 335 72 HOH HOH D . Q 8 HOH 1 101 62 HOH HOH A . Q 8 HOH 2 102 126 HOH HOH A . Q 8 HOH 3 103 86 HOH HOH A . Q 8 HOH 4 104 23 HOH HOH A . Q 8 HOH 5 105 10 HOH HOH A . Q 8 HOH 6 106 30 HOH HOH A . Q 8 HOH 7 107 53 HOH HOH A . # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_defined_assembly _pdbx_struct_assembly.method_details ? _pdbx_struct_assembly.oligomeric_details tetrameric _pdbx_struct_assembly.oligomeric_count 4 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2017-05-03 2 'Structure model' 1 1 2017-05-10 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # _pdbx_audit_revision_group.ordinal 1 _pdbx_audit_revision_group.revision_ordinal 2 _pdbx_audit_revision_group.data_content_type 'Structure model' _pdbx_audit_revision_group.group 'Database references' # loop_ _pdbx_refine_tls.pdbx_refine_id _pdbx_refine_tls.id _pdbx_refine_tls.details _pdbx_refine_tls.method _pdbx_refine_tls.origin_x _pdbx_refine_tls.origin_y _pdbx_refine_tls.origin_z _pdbx_refine_tls.T[1][1] _pdbx_refine_tls.T[2][2] _pdbx_refine_tls.T[3][3] _pdbx_refine_tls.T[1][2] _pdbx_refine_tls.T[1][3] _pdbx_refine_tls.T[2][3] _pdbx_refine_tls.L[1][1] _pdbx_refine_tls.L[2][2] _pdbx_refine_tls.L[3][3] _pdbx_refine_tls.L[1][2] _pdbx_refine_tls.L[1][3] _pdbx_refine_tls.L[2][3] _pdbx_refine_tls.S[1][1] _pdbx_refine_tls.S[2][2] _pdbx_refine_tls.S[3][3] _pdbx_refine_tls.S[1][2] _pdbx_refine_tls.S[1][3] _pdbx_refine_tls.S[2][3] _pdbx_refine_tls.S[2][1] _pdbx_refine_tls.S[3][1] _pdbx_refine_tls.S[3][2] 'X-RAY DIFFRACTION' 1 ? refined 9.7161 -26.7122 -10.1000 0.0511 0.4068 0.1245 0.0367 -0.0539 0.0438 10.0290 0.0514 3.1063 -0.3266 0.5499 0.2474 0.2480 -0.1406 -0.1074 0.5204 0.0275 -0.0485 0.0018 -0.0739 -0.7178 'X-RAY DIFFRACTION' 2 ? refined 28.8818 -12.2938 5.5857 0.1906 0.0958 0.0993 -0.0139 0.0187 -0.0157 0.5004 0.0335 0.7397 0.0329 0.1060 -0.1168 0.0234 -0.0046 -0.0188 -0.0125 0.0306 0.0357 0.0215 0.0032 -0.0097 'X-RAY DIFFRACTION' 3 ? refined 16.2821 -20.1691 65.7725 0.1944 0.1925 0.0245 -0.1294 0.0563 -0.0669 1.2711 0.1154 2.0793 -0.3680 -1.0369 0.3886 -0.0317 0.0494 -0.0177 -0.2046 0.0523 -0.0171 0.0083 0.2952 0.1041 'X-RAY DIFFRACTION' 4 ? refined 34.7865 -19.9995 64.3352 0.1229 0.2461 0.0311 -0.0080 0.0112 -0.0027 1.0535 0.1269 1.2622 -0.1621 -0.3321 -0.2778 -0.0105 0.0403 -0.0298 -0.3027 -0.1167 0.0343 -0.0126 -0.0490 0.1827 # loop_ _pdbx_refine_tls_group.pdbx_refine_id _pdbx_refine_tls_group.id _pdbx_refine_tls_group.refine_tls_id _pdbx_refine_tls_group.beg_auth_asym_id _pdbx_refine_tls_group.beg_auth_seq_id _pdbx_refine_tls_group.end_auth_asym_id _pdbx_refine_tls_group.end_auth_seq_id _pdbx_refine_tls_group.selection_details _pdbx_refine_tls_group.beg_label_asym_id _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.end_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.selection 'X-RAY DIFFRACTION' 1 1 A 1 A 74 ? ? ? ? ? ? 'X-RAY DIFFRACTION' 2 2 B 0 B 211 ? ? ? ? ? ? 'X-RAY DIFFRACTION' 3 2 B 301 B 309 ? ? ? ? ? ? 'X-RAY DIFFRACTION' 4 3 C 1 C 212 ? ? ? ? ? ? 'X-RAY DIFFRACTION' 5 4 D 1 D 219 ? ? ? ? ? ? # loop_ _software.citation_id _software.classification _software.compiler_name _software.compiler_version _software.contact_author _software.contact_author_email _software.date _software.description _software.dependencies _software.hardware _software.language _software.location _software.mods _software.name _software.os _software.os_version _software.type _software.version _software.pdbx_ordinal ? refinement ? ? ? ? ? ? ? ? ? ? ? REFMAC ? ? ? 5.8.0158 1 ? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? HKL-2000 ? ? ? . 2 ? 'data extraction' ? ? ? ? ? ? ? ? ? ? ? PDB_EXTRACT ? ? ? 3.15 3 ? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? HKL-2000 ? ? ? . 4 ? phasing ? ? ? ? ? ? ? ? ? ? ? PHASER ? ? ? . 5 # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 LEU B 56 ? ? -110.09 79.06 2 1 HIS B 134 ? ? -162.56 99.39 3 1 THR C 51 ? ? 66.99 -50.17 4 1 ASN C 52 ? ? -142.65 12.83 5 1 LEU C 83 ? ? -46.44 105.56 6 1 ASN C 137 ? ? 58.10 74.50 7 1 PRO C 140 ? ? -76.23 -167.76 8 1 LYS C 168 ? ? -80.48 -71.30 9 1 ASN C 189 ? ? -124.62 -54.02 10 1 ARG C 210 ? ? 54.60 -100.75 11 1 SER D 15 ? ? 78.96 -26.38 12 1 ARG D 102 ? ? 53.40 -118.10 13 1 SER D 139 ? ? -106.69 64.84 14 1 SER D 163 ? ? 57.32 -134.92 15 1 LEU D 166 ? ? -141.21 -50.35 16 1 SER D 167 ? ? 62.62 -163.52 17 1 SER D 168 ? ? -80.79 34.09 18 1 GLN D 178 ? ? -106.94 -91.21 19 1 SER D 179 ? ? -101.73 68.15 20 1 ALA A 13 ? ? -101.93 66.47 21 1 PRO A 73 ? ? -66.88 -168.58 # _pdbx_validate_peptide_omega.id 1 _pdbx_validate_peptide_omega.PDB_model_num 1 _pdbx_validate_peptide_omega.auth_comp_id_1 TYR _pdbx_validate_peptide_omega.auth_asym_id_1 B _pdbx_validate_peptide_omega.auth_seq_id_1 93 _pdbx_validate_peptide_omega.PDB_ins_code_1 ? _pdbx_validate_peptide_omega.label_alt_id_1 ? _pdbx_validate_peptide_omega.auth_comp_id_2 ASN _pdbx_validate_peptide_omega.auth_asym_id_2 B _pdbx_validate_peptide_omega.auth_seq_id_2 94 _pdbx_validate_peptide_omega.PDB_ins_code_2 ? _pdbx_validate_peptide_omega.label_alt_id_2 ? _pdbx_validate_peptide_omega.omega -143.61 # loop_ _pdbx_unobs_or_zero_occ_atoms.id _pdbx_unobs_or_zero_occ_atoms.PDB_model_num _pdbx_unobs_or_zero_occ_atoms.polymer_flag _pdbx_unobs_or_zero_occ_atoms.occupancy_flag _pdbx_unobs_or_zero_occ_atoms.auth_asym_id _pdbx_unobs_or_zero_occ_atoms.auth_comp_id _pdbx_unobs_or_zero_occ_atoms.auth_seq_id _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code _pdbx_unobs_or_zero_occ_atoms.auth_atom_id _pdbx_unobs_or_zero_occ_atoms.label_alt_id _pdbx_unobs_or_zero_occ_atoms.label_asym_id _pdbx_unobs_or_zero_occ_atoms.label_comp_id _pdbx_unobs_or_zero_occ_atoms.label_seq_id _pdbx_unobs_or_zero_occ_atoms.label_atom_id 1 1 Y 1 B PHE 137 ? CG ? A PHE 138 CG 2 1 Y 1 B PHE 137 ? CD1 ? A PHE 138 CD1 3 1 Y 1 B PHE 137 ? CD2 ? A PHE 138 CD2 4 1 Y 1 B PHE 137 ? CE1 ? A PHE 138 CE1 5 1 Y 1 B PHE 137 ? CE2 ? A PHE 138 CE2 6 1 Y 1 B PHE 137 ? CZ ? A PHE 138 CZ 7 1 Y 1 C ARG 210 ? CZ ? B ARG 210 CZ 8 1 Y 1 C ARG 210 ? NH1 ? B ARG 210 NH1 9 1 Y 1 C ARG 210 ? NH2 ? B ARG 210 NH2 10 1 Y 1 C GLU 212 ? CG ? B GLU 212 CG 11 1 Y 1 C GLU 212 ? CD ? B GLU 212 CD 12 1 Y 1 C GLU 212 ? OE1 ? B GLU 212 OE1 13 1 Y 1 C GLU 212 ? OE2 ? B GLU 212 OE2 14 1 Y 1 D ARG 216 ? CG ? C ARG 216 CG 15 1 Y 1 D ARG 216 ? CD ? C ARG 216 CD 16 1 Y 1 D ARG 216 ? NE ? C ARG 216 NE 17 1 Y 1 D ARG 216 ? CZ ? C ARG 216 CZ 18 1 Y 1 D ARG 216 ? NH1 ? C ARG 216 NH1 19 1 Y 1 D ARG 216 ? NH2 ? C ARG 216 NH2 20 1 Y 1 A ARG 72 ? CG ? D ARG 72 CG 21 1 Y 1 A ARG 72 ? CD ? D ARG 72 CD 22 1 Y 1 A ARG 72 ? NE ? D ARG 72 NE 23 1 Y 1 A ARG 72 ? CZ ? D ARG 72 CZ 24 1 Y 1 A ARG 72 ? NH1 ? D ARG 72 NH1 25 1 Y 1 A ARG 72 ? NH2 ? D ARG 72 NH2 # _pdbx_unobs_or_zero_occ_residues.id 1 _pdbx_unobs_or_zero_occ_residues.PDB_model_num 1 _pdbx_unobs_or_zero_occ_residues.polymer_flag Y _pdbx_unobs_or_zero_occ_residues.occupancy_flag 1 _pdbx_unobs_or_zero_occ_residues.auth_asym_id C _pdbx_unobs_or_zero_occ_residues.auth_comp_id CYS _pdbx_unobs_or_zero_occ_residues.auth_seq_id 213 _pdbx_unobs_or_zero_occ_residues.PDB_ins_code ? _pdbx_unobs_or_zero_occ_residues.label_asym_id B _pdbx_unobs_or_zero_occ_residues.label_comp_id CYS _pdbx_unobs_or_zero_occ_residues.label_seq_id 213 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 5 N-ACETYL-D-GLUCOSAMINE NAG 6 BETA-D-MANNOSE BMA 7 ALPHA-D-MANNOSE MAN 8 water HOH #