data_4076 #Corrected using PDB structure: 1OSPO # #N.B. (Observed* = Observed shift + Offset correction) # #After reference correction, the following residues still #have a HA chemical shift difference (obs*-pred) greater than 0.7ppm: #NUM AA CS Observed* Predicted #205 S HA 4.53 3.28 #219 L HA 5.61 4.87 # #After reference correction, the following residues still #have a CB chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted #146 L CB 40.56 45.87 # #After reference correction, the following residues still #have a HN chemical shift difference (obs*-pred) greater than 2.0ppm: #NUM AA CS Observed* Predicted #148 G H 7.99 10.75 # #The average CS difference between predicted and observed: #HA CA CB CO N HN #-0.02 -0.15 -0.14 -0.09 -1.08 0.03 # #bmr4076.str.corr chemical shifts have been re-referenced with the following #offsets (these values have been added to the original bmr4076.str file): #HA CA CB CO N HN #N/A -0.15 -0.15 -0.09 -1.08 N/A # #The 95% confidence intervals for the above recommended offsets are: # HA CA CB CO N HN #+/-0.02 +/-0.07 +/-0.08 +/-0.08 +/-0.20 +/-0.04 # #The Correlation Coefficients between predicted and observed #chemical shifts are: #HA CA CB CO N HN #0.875 0.980 0.998 0.800 0.923 0.746 # #The RMSD between predicted and observed* (reference #corrected) chemical shifts are: #HA CA CB CO N HN #0.144 0.575 0.602 0.658 1.551 0.279 # ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N, 13C Chemical Shift Assignments of Outer Surface Protein A from Borrelia burgdorferi ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pham Thuy-Nga . . 2 Koide Shohei . . stop_ _BMRB_accession_number 4076 _BMRB_flat_file_name bmr4076.str _Entry_type new _Submission_date 1997-11-26 _Accession_date 1997-11-28 _Entry_origination author _NMR_STAR_version 2.1 _Experimental_method NMR loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count '1H chemical shifts' 908 '13C shemical shifts' 1041 '15N chemical shifts' 254 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Pham, T-N., and Koide, S., "NMR Studies of Borrelia burgdorferi OspA, a 28 KDa Protein Containing a Single-Layer Beta-sheet," J. Biomol. NMR 11, 407-414 (1998) ; _Citation_title ; NMR Studies of Borrelia burgdorferi OspA, a 28 kDa Protein Containing a Single-Layer Beta-sheet ; _Citation_status published _Citation_type journal _MEDLINE_UI_code 98356289 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pham Thuy-Nga . . 2 Koide Shohei . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 11 _Page_first 407 _Page_last 414 _Year 1998 loop_ _Keyword 'triple resonance' 'large proteins' beta-sheet antigen 'Lyme disease' 'Outer Surface Protein A' stop_ save_ ################################## # Molecular system description # ################################## save_system_OspA _Saveframe_category molecular_system _Mol_system_name 'Outer Surface Protein A' _Abbreviation_common OspA loop_ _Mol_system_component_name _Mol_label OspA $OspA stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Database_entry_details PDB 1FJ1 "E Chain E, Lyme Disease Antigen Ospa In Complex With Neutralizing Antibody Fab La-2" . PDB 1OSP "O Chain O, Crystal Structure Of Outer Surface Protein A Of Borrelia Burgdorferi Complexed With A Murine Monoclonal Antibody Fab" . stop_ save_ ######################## # Monomeric polymers # ######################## save_OspA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Outer Surface Protein A' _Abbreviation_common OspA _Molecular_mass 27555 ############################## # Polymer residue sequence # ############################## _Residue_count 257 _Mol_residue_sequence ; AKQNVSSLDEKNSVSVDLPG EMKVLVSKEKNKDGKYDLIA TVDKLELKGTSDKNNGSGVL EGVKADKSKVKLTISDDLGQ TTLEVFKEDGKTLVSKKVTS KDKSSTEEKFNEKGEVSEKI ITRADGTRLEYTGIKSDGSG KAKEVLKGYVLEGTLTAEKT TLVVKEGTVTLSKNISKSGE VSVELNDTDSSAATKKTAAW NSGTSTLTITVNSKKTKDLV FTKENTITVQQYDSNGTKLE GSAVEITKLDEIKNALK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 17 ALA 2 18 LYS 3 19 GLN 4 20 ASN 5 21 VAL 6 22 SER 7 23 SER 8 24 LEU 9 25 ASP 10 26 GLU 11 27 LYS 12 28 ASN 13 29 SER 14 30 VAL 15 31 SER 16 32 VAL 17 33 ASP 18 34 LEU 19 35 PRO 20 36 GLY 21 37 GLU 22 38 MET 23 39 LYS 24 40 VAL 25 41 LEU 26 42 VAL 27 43 SER 28 44 LYS 29 45 GLU 30 46 LYS 31 47 ASN 32 48 LYS 33 49 ASP 34 50 GLY 35 51 LYS 36 52 TYR 37 53 ASP 38 54 LEU 39 55 ILE 40 56 ALA 41 57 THR 42 58 VAL 43 59 ASP 44 60 LYS 45 61 LEU 46 62 GLU 47 63 LEU 48 64 LYS 49 65 GLY 50 66 THR 51 67 SER 52 68 ASP 53 69 LYS 54 70 ASN 55 71 ASN 56 72 GLY 57 73 SER 58 74 GLY 59 75 VAL 60 76 LEU 61 77 GLU 62 78 GLY 63 79 VAL 64 80 LYS 65 81 ALA 66 82 ASP 67 83 LYS 68 84 SER 69 85 LYS 70 86 VAL 71 87 LYS 72 88 LEU 73 89 THR 74 90 ILE 75 91 SER 76 92 ASP 77 93 ASP 78 94 LEU 79 95 GLY 80 96 GLN 81 97 THR 82 98 THR 83 99 LEU 84 100 GLU 85 101 VAL 86 102 PHE 87 103 LYS 88 104 GLU 89 105 ASP 90 106 GLY 91 107 LYS 92 108 THR 93 109 LEU 94 110 VAL 95 111 SER 96 112 LYS 97 113 LYS 98 114 VAL 99 115 THR 100 116 SER 101 117 LYS 102 118 ASP 103 119 LYS 104 120 SER 105 121 SER 106 122 THR 107 123 GLU 108 124 GLU 109 125 LYS 110 126 PHE 111 127 ASN 112 128 GLU 113 129 LYS 114 130 GLY 115 131 GLU 116 132 VAL 117 133 SER 118 134 GLU 119 135 LYS 120 136 ILE 121 137 ILE 122 138 THR 123 139 ARG 124 140 ALA 125 141 ASP 126 142 GLY 127 143 THR 128 144 ARG 129 145 LEU 130 146 GLU 131 147 TYR 132 148 THR 133 149 GLY 134 150 ILE 135 151 LYS 136 152 SER 137 153 ASP 138 154 GLY 139 155 SER 140 156 GLY 141 157 LYS 142 158 ALA 143 159 LYS 144 160 GLU 145 161 VAL 146 162 LEU 147 163 LYS 148 164 GLY 149 165 TYR 150 166 VAL 151 167 LEU 152 168 GLU 153 169 GLY 154 170 THR 155 171 LEU 156 172 THR 157 173 ALA 158 174 GLU 159 175 LYS 160 176 THR 161 177 THR 162 178 LEU 163 179 VAL 164 180 VAL 165 181 LYS 166 182 GLU 167 183 GLY 168 184 THR 169 185 VAL 170 186 THR 171 187 LEU 172 188 SER 173 189 LYS 174 190 ASN 175 191 ILE 176 192 SER 177 193 LYS 178 194 SER 179 195 GLY 180 196 GLU 181 197 VAL 182 198 SER 183 199 VAL 184 200 GLU 185 201 LEU 186 202 ASN 187 203 ASP 188 204 THR 189 205 ASP 190 206 SER 191 207 SER 192 208 ALA 193 209 ALA 194 210 THR 195 211 LYS 196 212 LYS 197 213 THR 198 214 ALA 199 215 ALA 200 216 TRP 201 217 ASN 202 218 SER 203 219 GLY 204 220 THR 205 221 SER 206 222 THR 207 223 LEU 208 224 THR 209 225 ILE 210 226 THR 211 227 VAL 212 228 ASN 213 229 SER 214 230 LYS 215 231 LYS 216 232 THR 217 233 LYS 218 234 ASP 219 235 LEU 220 236 VAL 221 237 PHE 222 238 THR 223 239 LYS 224 240 GLU 225 241 ASN 226 242 THR 227 243 ILE 228 244 THR 229 245 VAL 230 246 GLN 231 247 GLN 232 248 TYR 233 249 ASP 234 250 SER 235 251 ASN 236 252 GLY 237 253 THR 238 254 LYS 239 255 LEU 240 256 GLU 241 257 GLY 242 258 SER 243 259 ALA 244 260 VAL 245 261 GLU 246 262 ILE 247 263 THR 248 264 LYS 249 265 LEU 250 266 ASP 251 267 GLU 252 268 ILE 253 269 LYS 254 270 ASN 255 271 ALA 256 272 LEU 257 273 LYS stop_ _Sequence_homology_query_date 2004-07-29 _Sequence_homology_query_revised_last_date 2004-05-13 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1FJ1 "E Chain E, Lyme Disease Antigen Ospa InComplex With Neutralizing Antibody Fab La-2" 100.00 257 100 100 10e-138 PDB 1OSP "O Chain O, Crystal Structure Of Outer SurfaceProtein A Of Borrelia Burgdorferi Complexed With AMurine Monoclonal Antibody Fab" 100.00 257 100 100 10e-138 EMBL CAA32579.1 "ospA [Borrelia burgdorferi]" 94.14 273 100 100 10e-138 EMBL CAA49314.1 "0spA [Borrelia burgdorferi]" 94.14 273 100 100 10e-138 EMBL CAA56467.1 "ospA [Borrelia burgdorferi]" 94.14 273 100 100 10e-138 EMBL CAA59729.1 "outer surface protein A [Borreliaburgdorferi]" 94.14 273 100 100 10e-137 EMBL CAA59730.1 "outer surface protein A [Borreliaburgdorferi]" 94.14 273 100 100 10e-137 GenBank AAB06567.1 "outer surface protein" 100.39 256 100 100 10e-137 GenBank AAB06568.1 "outer surface protein" 100.39 256 100 100 10e-137 GenBank AAL77520.1 "outer surface protein A [Borreliaburgdorferi]" 100.39 256 100 100 10e-137 GenBank AAC66260.1 "outer surface protein A (ospA) [Borreliaburgdorferi B31]" 94.14 273 100 100 10e-138 GenBank AAB96353.1 "outer surface protein A precursor[Borrelia sp. LV5]" 94.14 273 99 99 10e-136 PIR G70208 "outer surface protein A precursor - Lymedisease spirochete (strains B31 and others)" 94.14 273 100 100 10e-138 PIR F49209 "outer surface protein A precursor - Lymedisease spirochete (strain N4027)" 94.14 273 99 99 10e-136 PIR S71528 "outer surface protein A precursor - Lymedisease spirochete (strains 297 and NY3)" 94.14 273 100 100 10e-137 PIR MMLYAZ "outer surface protein A precursor - Lymedisease spirochete" 94.14 273 99 99 10e-135 PIR S71529 "outer surface protein A precursor - Lymedisease spirochete (strain PBre)" 94.14 273 98 98 10e-135 REF NP_045688.1 "outer surface protein A (ospA)[Borrelia burgdorferi B31]" 94.14 273 100 100 10e-138 SWISS-PROT P14013 "OSA1_BORBU Outer surface protein A precursor" 94.14 273 99 99 10e-135 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $OspA spirochete 139 Eubacteria . Borrelia burgdorferi B31 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name _Gene_source $OspA 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3) plasmid pET9-OspA 'natural source' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $OspA 1.5 mM '[U-99% 13C; U-98% 15N]' 'sodium phosphate' 10 mM . 'sodium chloride' 50 mM . EDTA 0.05 mM . stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 0.05 n/a temperature 45 0.5 C pressure 1.0 . atm 'ionic strength' 60 3 mM stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference _Saveframe_category chemical_shift_reference loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _Indirect_shift_ratio DSS H 1 methyl ppm 0.00 external direct . TSP C 13 methyl ppm 0.00 external indirect 0.25144954 DSS N 15 . ppm 0 external indirect 0.10132900 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # Index Value Definition # # # # 1 Unique # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 3 Aromatic atoms on opposite sides of the ring # # (e.g. Tyr HE1 and HE2 protons) # # 4 Intraresidue ambiguities (e.g. Lys HG and # # HD protons) # # 5 Interresidue ambiguities (Lys 12 vs. Lys 27) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_assignment_OspA _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_conditions _Chem_shift_reference_set_label $chem_shift_reference _Mol_system_component_name OspA loop_ _Atom_shift_assign_ID _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 LYS CA C 56.45 0.5 1 2 2 LYS HA H 4.33 0.06 1 3 2 LYS CB C 33.05 0.5 1 4 2 LYS HB2 H 1.79 0.06 2 5 2 LYS HB3 H 1.79 0.06 2 6 2 LYS CG C 24.45 0.5 1 7 2 LYS CD C 28.85 0.5 1 8 2 LYS CE C 41.85 0.5 1 9 2 LYS C C 176.04 0.09 1 10 3 GLN N N 121.82 0.1 1 11 3 GLN H H 8.40 0.007 1 12 3 GLN CA C 55.65 0.5 1 13 3 GLN HA H 4.35 0.06 1 14 3 GLN CB C 29.65 0.5 1 15 3 GLN HB2 H 2.04 0.06 2 16 3 GLN HB3 H 2.04 0.06 2 17 3 GLN CG C 33.65 0.5 1 18 3 GLN C C 175.37 0.09 1 19 4 ASN N N 120.52 0.1 1 20 4 ASN H H 8.47 0.007 1 21 4 ASN CA C 53.25 0.5 1 22 4 ASN HA H 4.72 0.06 1 23 4 ASN CB C 38.85 0.5 1 24 4 ASN HB2 H 2.79 0.06 2 25 4 ASN HB3 H 2.79 0.06 2 26 4 ASN C C 174.86 0.09 1 27 5 VAL N N 119.92 0.1 1 28 5 VAL H H 8.03 0.007 1 29 5 VAL CA C 61.95 0.5 1 30 5 VAL HA H 4.20 0.06 1 31 5 VAL CB C 32.95 0.5 1 32 5 VAL HB H 2.12 0.06 1 33 5 VAL CG1 C 21.05 0.5 2 34 5 VAL CG2 C 20.05 0.5 2 35 5 VAL C C 175.85 0.09 1 36 6 SER N N 119.42 0.1 1 37 6 SER H H 8.33 0.007 1 38 6 SER CA C 58.15 0.5 1 39 6 SER HA H 4.50 0.06 1 40 6 SER CB C 63.85 0.5 1 41 6 SER HB2 H 3.85 0.06 2 42 6 SER HB3 H 3.85 0.06 2 43 6 SER C C 174.36 0.09 1 44 7 SER N N 118.02 0.1 1 45 7 SER H H 8.26 0.007 1 46 7 SER CA C 58.35 0.5 1 47 7 SER HA H 4.43 0.06 1 48 7 SER CB C 63.65 0.5 1 49 7 SER HB2 H 3.84 0.06 2 50 7 SER HB3 H 3.84 0.06 2 51 7 SER C C 174.14 0.09 1 52 8 LEU N N 123.02 0.1 1 53 8 LEU H H 7.90 0.007 1 54 8 LEU CA C 54.75 0.5 1 55 8 LEU HA H 4.64 0.06 1 56 8 LEU CB C 42.35 0.5 1 57 8 LEU HB2 H 1.54 0.06 2 58 8 LEU HB3 H 1.54 0.06 2 59 8 LEU CG C 26.85 0.5 1 60 8 LEU CD1 C 23.35 0.5 2 61 8 LEU CD2 C 25.35 0.5 2 62 8 LEU C C 176.14 0.09 1 63 9 ASP N N 122.12 0.1 1 64 9 ASP H H 8.70 0.007 1 65 9 ASP CA C 53.45 0.5 1 66 9 ASP HA H 4.54 0.06 1 67 9 ASP CB C 41.65 0.5 1 68 9 ASP HB2 H 2.68 0.06 2 69 9 ASP HB3 H 2.80 0.06 2 70 9 ASP C C 176.72 0.09 1 71 10 GLU N N 119.92 0.1 1 72 10 GLU H H 8.62 0.007 1 73 10 GLU CA C 57.95 0.5 1 74 10 GLU HA H 4.21 0.06 1 75 10 GLU CB C 29.25 0.5 1 76 10 GLU HB2 H 2.05 0.06 2 77 10 GLU HB3 H 2.05 0.06 2 78 10 GLU CG C 36.15 0.5 1 79 10 GLU HG2 H 2.27 0.06 2 80 10 GLU HG3 H 2.27 0.06 2 81 10 GLU C C 177.05 0.09 1 82 11 LYS N N 118.62 0.1 1 83 11 LYS H H 8.34 0.007 1 84 11 LYS CA C 57.25 0.5 1 85 11 LYS HA H 4.33 0.06 1 86 11 LYS CB C 32.45 0.5 1 87 11 LYS HB2 H 1.88 0.06 2 88 11 LYS HB3 H 1.88 0.06 2 89 11 LYS CG C 24.85 0.5 1 90 11 LYS CD C 28.75 0.5 1 91 11 LYS C C 177.54 0.09 1 92 12 ASN N N 117.32 0.1 1 93 12 ASN H H 8.06 0.007 1 94 12 ASN CA C 52.55 0.5 1 95 12 ASN HA H 4.94 0.06 1 96 12 ASN CB C 39.15 0.5 1 97 12 ASN HB2 H 2.88 0.06 2 98 12 ASN HB3 H 3.05 0.06 2 99 12 ASN C C 174.95 0.09 1 100 13 SER N N 114.12 0.1 1 101 13 SER H H 7.75 0.007 1 102 13 SER CA C 57.85 0.5 1 103 13 SER HA H 5.21 0.06 1 104 13 SER CB C 67.15 0.5 1 105 13 SER HB2 H 3.57 0.06 2 106 13 SER HB3 H 3.73 0.06 2 107 13 SER C C 172.08 0.09 1 108 14 VAL N N 119.72 0.1 1 109 14 VAL H H 9.03 0.007 1 110 14 VAL CA C 60.95 0.5 1 111 14 VAL HA H 4.33 0.06 1 112 14 VAL CB C 34.35 0.5 1 113 14 VAL HB H 1.98 0.06 1 114 14 VAL CG1 C 20.55 0.5 2 115 14 VAL CG2 C 20.55 0.5 2 116 14 VAL C C 174.43 0.09 1 117 15 SER N N 118.92 0.1 1 118 15 SER H H 8.22 0.007 1 119 15 SER CA C 57.15 0.5 1 120 15 SER HA H 5.14 0.06 1 121 15 SER CB C 64.15 0.5 1 122 15 SER HB2 H 3.63 0.06 2 123 15 SER HB3 H 3.63 0.06 2 124 15 SER C C 174.36 0.09 1 125 16 VAL N N 129.22 0.1 1 126 16 VAL H H 9.29 0.007 1 127 16 VAL CA C 61.95 0.5 1 128 16 VAL HA H 4.15 0.06 1 129 16 VAL CB C 34.25 0.5 1 130 16 VAL HB H 2.00 0.06 1 131 16 VAL CG1 C 20.35 0.5 2 132 16 VAL CG2 C 20.35 0.5 2 133 16 VAL C C 174.88 0.09 1 134 17 ASP N N 126.32 0.1 1 135 17 ASP H H 8.20 0.007 1 136 17 ASP CA C 55.15 0.5 1 137 17 ASP HA H 4.76 0.06 1 138 17 ASP CB C 41.65 0.5 1 139 17 ASP HB2 H 2.51 0.06 2 140 17 ASP HB3 H 2.66 0.06 2 143 18 LEU H H 8.31 0.007 1 144 18 LEU CA C 51.65 0.5 1 145 18 LEU CB C 43.95 0.5 1 146 18 LEU CG C 33.65 0.5 1 147 18 LEU CD1 C 24.75 0.5 2 148 18 LEU CD2 C 24.75 0.5 2 149 19 PRO CA C 63.35 0.5 1 150 19 PRO HA H 4.36 0.06 1 152 19 PRO HB2 H 1.55 0.06 2 153 19 PRO HB3 H 1.88 0.06 2 154 19 PRO CG C 27.75 0.5 1 155 19 PRO CD C 50.35 0.5 1 156 19 PRO C C 176.04 0.09 1 157 20 GLY N N 110.22 0.1 1 158 20 GLY H H 8.72 0.007 1 159 20 GLY CA C 45.55 0.5 1 160 20 GLY HA2 H 3.70 0.06 2 161 20 GLY HA3 H 3.94 0.06 2 162 20 GLY C C 174.28 0.09 1 163 21 GLU N N 114.62 0.1 1 164 21 GLU H H 8.32 0.007 1 165 21 GLU CA C 56.95 0.5 1 166 21 GLU HA H 4.04 0.06 1 167 21 GLU CB C 26.55 0.5 1 168 21 GLU HB2 H 2.19 0.06 2 169 21 GLU HB3 H 2.19 0.06 2 170 21 GLU CG C 36.55 0.5 1 171 21 GLU C C 175.24 0.09 1 172 22 MET N N 116.52 0.1 1 173 22 MET H H 6.79 0.007 1 174 22 MET CA C 54.25 0.5 1 175 22 MET HA H 4.76 0.06 1 176 22 MET CB C 36.25 0.5 1 177 22 MET HB2 H 1.82 0.06 2 178 22 MET HB3 H 1.82 0.06 2 179 22 MET CG C 32.15 0.5 1 180 22 MET C C 174.13 0.09 1 181 23 LYS N N 121.02 0.1 1 182 23 LYS H H 8.10 0.007 1 183 23 LYS CA C 58.85 0.5 1 184 23 LYS HA H 5.23 0.06 1 185 23 LYS CB C 36.05 0.5 1 186 23 LYS HB2 H 3.57 0.06 2 187 23 LYS HB3 H 1.62 0.06 2 188 23 LYS CG C 24.55 0.5 1 189 23 LYS CD C 29.15 0.5 1 190 23 LYS CE C 41.95 0.5 1 191 23 LYS C C 174.78 0.09 1 192 24 VAL N N 121.82 0.1 1 193 24 VAL H H 8.73 0.007 1 194 24 VAL CA C 58.85 0.5 1 195 24 VAL HA H 4.87 0.06 1 196 24 VAL CB C 35.65 0.5 1 197 24 VAL HB H 1.75 0.06 1 198 24 VAL CG1 C 22.45 0.5 2 199 24 VAL CG2 C 20.15 0.5 2 200 24 VAL C C 171.89 0.09 1 201 25 LEU N N 127.42 0.1 1 202 25 LEU H H 9.12 0.007 1 203 25 LEU CA C 53.45 0.5 1 204 25 LEU HA H 5.17 0.06 1 205 25 LEU CB C 42.65 0.5 1 206 25 LEU HB2 H 1.29 0.06 2 207 25 LEU HB3 H 1.77 0.06 2 208 25 LEU CG C 27.75 0.5 1 209 25 LEU CD1 C 24.15 0.5 2 210 25 LEU CD2 C 24.15 0.5 2 211 25 LEU C C 175.75 0.09 1 212 26 VAL N N 122.12 0.1 1 213 26 VAL H H 8.87 0.007 1 214 26 VAL CA C 59.25 0.5 1 215 26 VAL HA H 4.92 0.06 1 216 26 VAL CB C 34.15 0.5 1 217 26 VAL HB H 1.78 0.06 1 218 26 VAL CG1 C 19.35 0.5 2 219 26 VAL CG2 C 20.75 0.5 2 220 26 VAL C C 176.31 0.09 1 221 27 SER N N 123.32 0.1 1 222 27 SER H H 9.06 0.007 1 223 27 SER CA C 59.65 0.5 1 224 27 SER CB C 63.95 0.5 1 225 27 SER C C 173.82 0.09 1 226 28 LYS N N 120.22 0.1 1 227 28 LYS H H 8.16 0.007 1 228 28 LYS CA C 58.75 0.5 1 229 28 LYS HA H 4.17 0.06 1 230 28 LYS CB C 33.45 0.5 1 231 28 LYS HB2 H 1.67 0.06 2 232 28 LYS HB3 H 1.93 0.06 2 233 28 LYS CG C 26.75 0.5 1 234 28 LYS CD C 29.45 0.5 1 235 28 LYS CE C 42.65 0.5 1 236 28 LYS C C 177.26 0.09 1 237 29 GLU N N 115.22 0.1 1 238 29 GLU H H 8.09 0.007 1 239 29 GLU CA C 53.55 0.5 1 240 29 GLU HA H 4.75 0.06 1 241 29 GLU CB C 32.45 0.5 1 242 29 GLU HB2 H 1.83 0.06 2 243 29 GLU HB3 H 2.13 0.06 2 244 29 GLU CG C 35.75 0.5 1 245 29 GLU HG2 H 2.54 0.06 2 246 29 GLU HG3 H 2.54 0.06 2 247 29 GLU C C 176.52 0.09 1 248 30 LYS N N 122.92 0.1 1 249 30 LYS H H 8.47 0.007 1 250 30 LYS CA C 56.25 0.5 1 251 30 LYS HA H 3.53 0.06 1 252 30 LYS CB C 34.05 0.5 1 253 30 LYS HB2 H 1.24 0.06 2 254 30 LYS HB3 H 1.42 0.06 2 255 30 LYS CG C 25.45 0.5 1 256 30 LYS CD C 29.55 0.5 1 257 30 LYS CE C 41.85 0.5 1 258 30 LYS C C 176.58 0.09 1 259 31 ASN N N 119.92 0.1 1 260 31 ASN H H 9.16 0.007 1 261 31 ASN CA C 50.95 0.5 1 262 31 ASN HA H 4.59 0.06 1 263 31 ASN CB C 38.75 0.5 1 264 31 ASN HB2 H 3.19 0.06 2 265 31 ASN HB3 H 3.19 0.06 2 266 31 ASN C C 177.94 0.09 1 267 32 LYS N N 117.82 0.1 1 268 32 LYS H H 8.31 0.007 1 269 32 LYS CA C 58.65 0.5 1 270 32 LYS HA H 4.08 0.06 1 271 32 LYS CB C 31.55 0.5 1 272 32 LYS HB2 H 1.85 0.06 2 273 32 LYS HB3 H 1.85 0.06 2 274 32 LYS CG C 23.85 0.5 1 275 32 LYS CD C 28.75 0.5 1 276 32 LYS CE C 42.15 0.5 1 277 32 LYS C C 176.81 0.09 1 278 33 ASP N N 118.32 0.1 1 279 33 ASP H H 7.94 0.007 1 280 33 ASP CA C 54.35 0.5 1 281 33 ASP HA H 4.78 0.06 1 283 33 ASP HB2 H 2.54 0.06 2 284 33 ASP HB3 H 2.84 0.06 2 285 33 ASP C C 176.20 0.09 1 286 34 GLY N N 107.72 0.1 1 287 34 GLY H H 8.22 0.007 1 288 34 GLY CA C 45.65 0.5 1 289 34 GLY HA2 H 3.54 0.06 2 290 34 GLY HA3 H 4.16 0.06 2 291 34 GLY C C 173.16 0.09 1 292 35 LYS N N 118.32 0.1 1 293 35 LYS H H 7.33 0.007 1 294 35 LYS CA C 53.65 0.5 1 295 35 LYS HA H 4.54 0.06 1 296 35 LYS CB C 35.85 0.5 1 297 35 LYS HB2 H 1.55 0.06 2 298 35 LYS HB3 H 1.85 0.06 2 299 35 LYS CG C 25.05 0.5 1 300 35 LYS CD C 28.75 0.5 1 301 35 LYS CE C 42.25 0.5 1 302 35 LYS C C 173.75 0.09 1 303 36 TYR N N 118.62 0.1 1 304 36 TYR H H 9.13 0.007 1 305 36 TYR CA C 59.15 0.5 1 306 36 TYR HA H 4.28 0.06 1 307 36 TYR CB C 38.45 0.5 1 308 36 TYR HB2 H 2.76 0.06 2 309 36 TYR HB3 H 2.88 0.06 2 310 36 TYR C C 175.64 0.09 1 311 37 ASP N N 122.12 0.1 1 312 37 ASP H H 8.48 0.007 1 313 37 ASP CA C 54.95 0.5 1 314 37 ASP HA H 5.05 0.06 1 315 37 ASP CB C 43.75 0.5 1 316 37 ASP HB2 H 2.51 0.06 2 317 37 ASP HB3 H 2.80 0.06 2 318 37 ASP C C 174.48 0.09 1 319 38 LEU N N 120.22 0.1 1 320 38 LEU H H 8.40 0.007 1 321 38 LEU CA C 53.55 0.5 1 322 38 LEU HA H 5.63 0.06 1 323 38 LEU CB C 46.15 0.5 1 324 38 LEU HB2 H 2.51 0.06 2 325 38 LEU HB3 H 1.20 0.06 2 326 38 LEU CG C 28.05 0.5 1 327 38 LEU CD1 C 25.35 0.5 2 328 38 LEU CD2 C 25.35 0.5 2 329 38 LEU C C 177.20 0.09 1 330 39 ILE N N 120.82 0.1 1 331 39 ILE H H 8.68 0.007 1 332 39 ILE CA C 59.95 0.5 1 333 39 ILE HA H 5.14 0.06 1 334 39 ILE CB C 42.45 0.5 1 335 39 ILE HB H 1.75 0.06 1 336 39 ILE CG1 C 27.75 0.5 2 337 39 ILE CD1 C 17.45 0.5 1 338 39 ILE C C 173.61 0.09 1 339 40 ALA N N 126.22 0.1 1 340 40 ALA H H 8.57 0.007 1 341 40 ALA CA C 51.05 0.5 1 342 40 ALA HA H 4.89 0.06 1 343 40 ALA CB C 23.45 0.5 1 344 40 ALA HB H 1.24 0.06 1 345 40 ALA C C 175.44 0.09 1 346 41 THR N N 116.82 0.1 1 347 41 THR H H 8.78 0.007 1 348 41 THR CA C 61.35 0.5 1 349 41 THR HA H 5.22 0.06 1 350 41 THR CB C 69.65 0.5 1 351 41 THR HB H 3.89 0.06 1 352 41 THR CG2 C 20.65 0.5 1 353 41 THR C C 174.35 0.09 1 354 42 VAL N N 126.62 0.1 1 355 42 VAL H H 8.64 0.007 1 356 42 VAL CA C 61.05 0.5 1 357 42 VAL HA H 4.22 0.06 1 358 42 VAL CB C 34.35 0.5 1 359 42 VAL HB H 1.83 0.06 1 360 42 VAL CG1 C 20.65 0.5 2 361 42 VAL CG2 C 20.65 0.5 2 362 42 VAL C C 175.19 0.09 1 363 43 ASP N N 128.72 0.1 1 364 43 ASP H H 9.15 0.007 1 365 43 ASP CA C 55.85 0.5 1 366 43 ASP HA H 4.17 0.06 1 367 43 ASP CB C 39.35 0.5 1 368 43 ASP HB2 H 2.54 0.06 2 369 43 ASP HB3 H 2.96 0.06 2 370 43 ASP C C 174.97 0.09 1 371 44 LYS N N 110.62 0.1 1 372 44 LYS H H 8.26 0.007 1 373 44 LYS CA C 57.75 0.5 1 374 44 LYS HA H 3.73 0.06 1 375 44 LYS CB C 30.55 0.5 1 376 44 LYS HB2 H 2.05 0.06 2 377 44 LYS HB3 H 2.05 0.06 2 378 44 LYS CG C 25.25 0.5 1 379 44 LYS CD C 28.75 0.5 1 380 44 LYS CE C 42.25 0.5 1 381 44 LYS C C 174.87 0.09 1 382 45 LEU N N 123.92 0.1 1 383 45 LEU H H 8.09 0.007 1 384 45 LEU CA C 53.95 0.5 1 385 45 LEU HA H 4.53 0.06 1 386 45 LEU CB C 44.05 0.5 1 387 45 LEU HB2 H 1.49 0.06 2 388 45 LEU HB3 H 1.88 0.06 2 389 45 LEU CG C 26.05 0.5 1 390 45 LEU CD1 C 24.15 0.5 2 391 45 LEU CD2 C 24.15 0.5 2 392 45 LEU C C 174.78 0.09 1 393 46 GLU N N 125.52 0.1 1 394 46 GLU H H 8.35 0.007 1 395 46 GLU CA C 56.05 0.5 1 396 46 GLU HA H 4.66 0.06 1 397 46 GLU CB C 30.75 0.5 1 398 46 GLU HB2 H 1.97 0.06 2 399 46 GLU HB3 H 1.97 0.06 2 400 46 GLU CG C 37.25 0.5 1 401 46 GLU HG2 H 2.15 0.06 2 402 46 GLU HG3 H 2.15 0.06 2 403 46 GLU C C 174.99 0.09 1 404 47 LEU N N 127.42 0.1 1 405 47 LEU H H 9.34 0.007 1 406 47 LEU CA C 53.45 0.5 1 407 47 LEU HA H 4.65 0.06 1 408 47 LEU CB C 44.25 0.5 1 409 47 LEU HB2 H 1.16 0.06 2 410 47 LEU HB3 H 1.62 0.06 2 411 47 LEU CG C 27.15 0.5 1 412 47 LEU CD1 C 23.55 0.5 2 413 47 LEU CD2 C 23.55 0.5 2 414 47 LEU C C 175.29 0.09 1 415 48 LYS N N 118.12 0.1 1 416 48 LYS H H 8.40 0.007 1 417 48 LYS CA C 54.95 0.5 1 418 48 LYS HA H 5.57 0.06 1 420 48 LYS HB2 H 1.93 0.06 2 421 48 LYS HB3 H 2.01 0.06 2 422 48 LYS CG C 25.05 0.5 1 423 48 LYS CD C 29.25 0.5 1 424 48 LYS CE C 42.25 0.5 1 425 48 LYS C C 176.82 0.09 1 426 49 GLY N N 111.22 0.1 1 427 49 GLY H H 8.92 0.007 1 428 49 GLY CA C 45.45 0.5 1 429 49 GLY HA2 H 4.76 0.06 2 430 49 GLY HA3 H 4.76 0.06 2 431 49 GLY C C 172.07 0.09 1 432 50 THR N N 110.92 0.1 1 433 50 THR H H 8.49 0.007 1 434 50 THR CA C 59.65 0.5 1 435 50 THR HA H 5.77 0.06 1 436 50 THR CB C 72.95 0.5 1 437 50 THR HB H 4.05 0.06 1 438 50 THR C C 173.93 0.09 1 439 51 SER N N 112.52 0.1 1 440 51 SER H H 8.94 0.007 1 441 51 SER CA C 56.45 0.5 1 442 51 SER HA H 4.98 0.06 1 443 51 SER CB C 65.25 0.5 1 444 51 SER HB2 H 4.23 0.06 2 445 51 SER HB3 H 4.23 0.06 2 446 51 SER C C 173.53 0.09 1 447 52 ASP N N 124.22 0.1 1 448 52 ASP H H 8.86 0.007 1 449 52 ASP CA C 55.55 0.5 1 450 52 ASP HA H 4.89 0.06 1 451 52 ASP CB C 40.95 0.5 1 452 52 ASP HB2 H 2.80 0.06 2 453 52 ASP HB3 H 2.80 0.06 2 454 52 ASP C C 176.02 0.09 1 455 53 LYS N N 119.22 0.1 1 456 53 LYS H H 8.66 0.007 1 457 53 LYS CA C 54.95 0.5 1 458 53 LYS HA H 4.65 0.06 1 459 53 LYS CB C 35.25 0.5 1 460 53 LYS HB2 H 1.69 0.06 2 461 53 LYS HB3 H 1.86 0.06 2 462 53 LYS CG C 24.65 0.5 1 463 53 LYS CD C 28.65 0.5 1 464 53 LYS CE C 41.95 0.5 1 465 53 LYS C C 175.95 0.09 1 466 54 ASN N N 116.22 0.1 1 467 54 ASN H H 7.77 0.007 1 468 54 ASN CA C 50.75 0.5 1 469 54 ASN HA H 4.12 0.06 1 470 54 ASN CB C 36.25 0.5 1 471 54 ASN HB2 H 2.50 0.06 2 472 54 ASN HB3 H 2.50 0.06 2 473 54 ASN C C 174.38 0.09 1 474 55 ASN N N 114.92 0.1 1 475 55 ASN H H 7.57 0.007 1 476 55 ASN CA C 52.75 0.5 1 477 55 ASN HA H 4.48 0.06 1 479 55 ASN HB2 H 2.83 0.06 2 480 55 ASN HB3 H 3.13 0.06 2 481 55 ASN C C 173.75 0.09 1 482 56 GLY N N 109.32 0.1 1 483 56 GLY H H 9.06 0.007 1 484 56 GLY CA C 44.35 0.5 1 485 56 GLY HA2 H 2.98 0.06 2 486 56 GLY HA3 H 4.22 0.06 2 487 56 GLY C C 169.98 0.09 1 488 57 SER N N 109.32 0.1 1 489 57 SER H H 7.04 0.007 1 490 57 SER CA C 57.25 0.5 1 491 57 SER HA H 3.97 0.06 1 493 57 SER HB2 H 3.78 0.06 2 494 57 SER HB3 H 3.78 0.06 2 495 57 SER C C 174.08 0.09 1 496 58 GLY N N 105.92 0.1 1 497 58 GLY H H 7.68 0.007 1 498 58 GLY CA C 44.05 0.5 1 499 58 GLY HA2 H 3.94 0.06 2 500 58 GLY HA3 H 4.49 0.06 2 501 58 GLY C C 170.73 0.09 1 502 59 VAL N N 118.92 0.1 1 503 59 VAL H H 8.10 0.007 1 504 59 VAL CA C 61.15 0.5 1 505 59 VAL HA H 5.15 0.06 1 506 59 VAL CB C 34.45 0.5 1 507 59 VAL HB H 1.98 0.06 1 508 59 VAL CG1 C 21.25 0.5 2 509 59 VAL CG2 C 21.25 0.5 2 510 59 VAL C C 175.14 0.09 1 511 60 LEU N N 126.62 0.1 1 512 60 LEU H H 9.52 0.007 1 513 60 LEU CA C 54.75 0.5 1 514 60 LEU HA H 4.88 0.06 1 515 60 LEU CB C 46.35 0.5 1 516 60 LEU HB2 H 1.49 0.06 2 517 60 LEU HB3 H 1.49 0.06 2 518 60 LEU CG C 29.25 0.5 1 519 60 LEU CD1 C 26.15 0.5 2 520 60 LEU CD2 C 26.15 0.5 2 521 60 LEU C C 175.13 0.09 1 522 61 GLU N N 117.82 0.1 1 523 61 GLU H H 8.67 0.007 1 524 61 GLU CA C 54.85 0.5 1 525 61 GLU HA H 5.75 0.06 1 527 61 GLU HB2 H 2.08 0.06 2 528 61 GLU HB3 H 2.26 0.06 2 529 61 GLU CG C 37.25 0.5 1 530 61 GLU C C 176.37 0.09 1 531 62 GLY N N 109.62 0.1 1 532 62 GLY H H 8.85 0.007 1 533 62 GLY CA C 45.15 0.5 1 534 62 GLY HA2 H 3.89 0.06 2 535 62 GLY HA3 H 4.64 0.06 2 536 62 GLY C C 170.96 0.09 1 537 63 VAL N N 120.22 0.1 1 538 63 VAL H H 8.56 0.007 1 539 63 VAL CA C 60.95 0.5 1 540 63 VAL HA H 5.00 0.06 1 541 63 VAL CB C 34.85 0.5 1 542 63 VAL HB H 1.97 0.06 1 543 63 VAL CG1 C 20.65 0.5 2 544 63 VAL CG2 C 20.65 0.5 2 545 63 VAL C C 175.38 0.09 1 546 64 LYS N N 124.22 0.1 1 547 64 LYS H H 8.72 0.007 1 548 64 LYS CA C 56.25 0.5 1 549 64 LYS HA H 4.41 0.06 1 550 64 LYS CB C 34.55 0.5 1 551 64 LYS CG C 26.25 0.5 1 552 64 LYS CD C 29.15 0.5 1 553 64 LYS CE C 41.35 0.5 1 554 64 LYS C C 178.68 0.09 1 555 65 ALA N N 124.52 0.1 1 556 65 ALA H H 8.75 0.007 1 557 65 ALA CA C 54.95 0.5 1 558 65 ALA HA H 4.16 0.06 1 559 65 ALA CB C 17.95 0.5 1 560 65 ALA HB H 1.49 0.06 2 561 65 ALA C C 177.94 0.09 1 562 66 ASP N N 114.62 0.1 1 563 66 ASP H H 7.47 0.007 1 564 66 ASP CA C 53.15 0.5 1 565 66 ASP HA H 4.50 0.06 1 566 66 ASP CB C 39.45 0.5 1 567 66 ASP HB2 H 2.55 0.06 2 568 66 ASP HB3 H 3.12 0.06 2 569 66 ASP C C 176.35 0.09 1 570 67 LYS N N 110.92 0.1 1 571 67 LYS H H 7.99 0.007 1 572 67 LYS CA C 59.05 0.5 1 573 67 LYS HA H 3.67 0.06 1 574 67 LYS CB C 29.45 0.5 1 575 67 LYS HB2 H 2.02 0.06 2 576 67 LYS HB3 H 2.44 0.06 2 577 67 LYS CD C 25.35 0.5 1 578 67 LYS CE C 42.25 0.5 1 579 67 LYS C C 175.57 0.09 1 580 68 SER N N 115.42 0.1 1 581 68 SER H H 8.14 0.007 1 582 68 SER CA C 60.65 0.5 1 583 68 SER HA H 4.22 0.06 1 584 68 SER CB C 62.95 0.5 1 585 68 SER HB2 H 4.03 0.06 2 586 68 SER HB3 H 4.03 0.06 2 587 68 SER C C 172.70 0.09 1 588 69 LYS N N 122.92 0.1 1 589 69 LYS H H 7.81 0.007 1 590 69 LYS CA C 55.45 0.5 1 591 69 LYS HA H 4.95 0.06 1 592 69 LYS CB C 34.95 0.5 1 593 69 LYS HB2 H 1.76 0.06 2 594 69 LYS HB3 H 1.99 0.06 2 595 69 LYS CG C 25.45 0.5 1 596 69 LYS CD C 28.75 0.5 1 597 69 LYS CE C 42.25 0.5 1 598 69 LYS C C 174.61 0.09 1 599 70 VAL N N 123.12 0.1 1 600 70 VAL H H 8.69 0.007 1 601 70 VAL CA C 61.05 0.5 1 602 70 VAL HA H 5.10 0.06 1 603 70 VAL CB C 34.35 0.5 1 604 70 VAL HB H 1.64 0.06 1 605 70 VAL CG1 C 21.65 0.5 2 606 70 VAL CG2 C 21.65 0.5 2 607 70 VAL C C 174.39 0.09 1 608 71 LYS N N 128.02 0.1 1 609 71 LYS H H 9.48 0.007 1 610 71 LYS CA C 55.15 0.5 1 611 71 LYS HA H 5.33 0.06 1 612 71 LYS CB C 37.65 0.5 1 613 71 LYS HB2 H 1.83 0.06 2 614 71 LYS HB3 H 2.05 0.06 2 615 71 LYS CG C 25.45 0.5 1 616 71 LYS CD C 29.65 0.5 1 617 71 LYS CE C 42.05 0.5 1 618 71 LYS C C 173.97 0.09 1 619 72 LEU N N 131.42 0.1 1 620 72 LEU H H 9.57 0.007 1 621 72 LEU CA C 52.85 0.5 1 622 72 LEU HA H 5.51 0.06 1 623 72 LEU CB C 45.95 0.5 1 624 72 LEU HB2 H 1.08 0.06 2 625 72 LEU HB3 H 1.80 0.06 2 626 72 LEU CG C 26.35 0.5 1 627 72 LEU C C 173.95 0.09 1 628 73 THR N N 123.12 0.1 1 629 73 THR H H 9.40 0.007 1 630 73 THR CA C 62.45 0.5 1 631 73 THR HA H 4.96 0.06 1 632 73 THR CB C 69.75 0.5 1 633 73 THR CG2 C 20.25 0.5 1 634 73 THR C C 174.15 0.09 1 635 74 ILE N N 131.12 0.1 1 636 74 ILE H H 9.47 0.007 1 637 74 ILE CA C 61.05 0.5 1 638 74 ILE HA H 4.56 0.06 1 639 74 ILE CB C 40.25 0.5 1 640 74 ILE HB H 1.92 0.06 1 641 74 ILE CG1 C 28.35 0.5 2 642 74 ILE CD1 C 15.95 0.5 1 643 74 ILE CG2 C 19.65 0.5 2 644 74 ILE C C 176.44 0.09 1 645 75 SER N N 123.72 0.1 1 646 75 SER H H 8.40 0.007 1 647 75 SER CA C 59.55 0.5 1 648 75 SER HA H 4.42 0.06 1 649 75 SER CB C 64.15 0.5 1 650 75 SER HB2 H 3.89 0.06 2 651 75 SER HB3 H 4.06 0.06 2 652 75 SER C C 174.74 0.09 1 653 76 ASP N N 119.92 0.1 1 654 76 ASP H H 8.51 0.007 1 655 76 ASP CA C 57.55 0.5 1 656 76 ASP HA H 4.38 0.06 1 657 76 ASP CB C 41.05 0.5 1 658 76 ASP HB2 H 2.63 0.06 2 659 76 ASP HB3 H 2.63 0.06 2 660 76 ASP C C 176.16 0.09 1 661 77 ASP N N 114.32 0.1 1 662 77 ASP H H 7.79 0.007 1 663 77 ASP CA C 52.15 0.5 1 664 77 ASP HA H 4.49 0.06 1 665 77 ASP CB C 40.15 0.5 1 666 77 ASP HB2 H 2.52 0.06 2 667 77 ASP HB3 H 2.99 0.06 2 668 77 ASP C C 176.81 0.09 1 669 78 LEU N N 116.22 0.1 1 670 78 LEU H H 8.33 0.007 1 671 78 LEU CA C 56.35 0.5 1 672 78 LEU HA H 3.54 0.06 1 674 78 LEU HB2 H 1.51 0.06 2 675 78 LEU HB3 H 2.08 0.06 2 676 78 LEU CG C 27.35 0.5 1 677 78 LEU CD1 C 22.75 0.5 2 678 78 LEU CD2 C 25.25 0.5 2 679 78 LEU C C 176.08 0.09 1 680 79 GLY N N 104.52 0.1 1 681 79 GLY H H 8.13 0.007 1 682 79 GLY CA C 46.05 0.5 1 683 79 GLY HA2 H 3.63 0.06 2 684 79 GLY HA3 H 3.90 0.06 2 685 79 GLY C C 173.59 0.09 1 686 80 GLN N N 117.62 0.1 1 687 80 GLN H H 7.83 0.007 1 688 80 GLN CA C 54.75 0.5 1 689 80 GLN HA H 5.37 0.06 1 690 80 GLN CB C 33.75 0.5 1 691 80 GLN HB2 H 1.95 0.06 2 692 80 GLN HB3 H 1.95 0.06 2 693 80 GLN C C 174.65 0.09 1 694 81 THR N N 113.02 0.1 1 695 81 THR H H 8.86 0.007 1 696 81 THR CA C 58.85 0.5 1 697 81 THR HA H 5.17 0.06 1 698 81 THR CB C 71.05 0.5 1 699 81 THR HB H 4.00 0.06 1 700 81 THR CG2 C 20.15 0.5 1 701 81 THR C C 173.47 0.09 1 702 82 THR N N 118.62 0.1 1 703 82 THR H H 9.04 0.007 1 704 82 THR CA C 61.95 0.5 1 705 82 THR HA H 5.09 0.06 1 706 82 THR CB C 70.95 0.5 1 707 82 THR HB H 4.09 0.06 1 708 82 THR CG2 C 20.75 0.5 1 709 82 THR C C 172.37 0.09 1 710 83 LEU N N 131.62 0.1 1 711 83 LEU H H 9.53 0.007 1 712 83 LEU CA C 53.45 0.5 1 713 83 LEU HA H 5.34 0.06 1 714 83 LEU CB C 44.65 0.5 1 715 83 LEU HB2 H 1.31 0.06 2 716 83 LEU HB3 H 1.95 0.06 2 717 83 LEU CG C 25.75 0.5 1 718 83 LEU CD1 C 24.45 0.5 2 719 83 LEU CD2 C 24.45 0.5 2 720 83 LEU C C 175.76 0.09 1 721 84 GLU N N 129.52 0.1 1 722 84 GLU H H 9.63 0.007 1 723 84 GLU CA C 54.95 0.5 1 724 84 GLU HA H 4.26 0.06 1 725 84 GLU CB C 35.05 0.5 1 726 84 GLU HB2 H 1.80 0.06 2 727 84 GLU HB3 H 1.80 0.06 2 728 84 GLU CG C 38.65 0.5 1 729 84 GLU C C 173.41 0.09 1 730 85 VAL N N 121.52 0.1 1 731 85 VAL H H 8.24 0.007 1 732 85 VAL CA C 61.15 0.5 1 733 85 VAL HA H 4.82 0.06 1 734 85 VAL CB C 33.25 0.5 1 735 85 VAL HB H 2.00 0.06 1 736 85 VAL CG1 C 20.85 0.5 2 737 85 VAL CG2 C 20.85 0.5 2 738 85 VAL C C 174.34 0.09 1 739 86 PHE N N 125.82 0.1 1 740 86 PHE H H 9.67 0.007 1 741 86 PHE CA C 56.25 0.5 1 742 86 PHE HA H 5.34 0.06 1 743 86 PHE CB C 43.65 0.5 1 744 86 PHE HB2 H 2.90 0.06 2 745 86 PHE HB3 H 3.12 0.06 2 746 86 PHE C C 176.72 0.09 1 747 87 LYS N N 116.52 0.1 1 748 87 LYS H H 8.37 0.007 1 749 87 LYS CA C 56.35 0.5 1 750 87 LYS HA H 4.47 0.06 1 751 87 LYS CB C 33.65 0.5 1 752 87 LYS HB2 H 2.03 0.06 2 753 87 LYS HB3 H 2.19 0.06 2 754 87 LYS CG C 25.95 0.5 1 755 87 LYS CD C 28.95 0.5 1 756 87 LYS C C 176.56 0.09 1 757 88 GLU N N 118.92 0.1 1 758 88 GLU H H 8.80 0.007 1 759 88 GLU CA C 58.55 0.5 1 760 88 GLU HA H 4.18 0.06 1 761 88 GLU CB C 29.45 0.5 1 762 88 GLU HB2 H 2.06 0.06 2 763 88 GLU HB3 H 2.06 0.06 2 764 88 GLU CG C 35.45 0.5 1 765 88 GLU C C 176.04 0.09 1 766 89 ASP N N 116.32 0.1 1 767 89 ASP H H 7.32 0.007 1 768 89 ASP CA C 54.45 0.5 1 769 89 ASP HA H 4.28 0.06 1 771 89 ASP HB2 H 2.81 0.06 2 772 89 ASP HB3 H 2.91 0.06 2 773 89 ASP C C 177.52 0.09 1 774 90 GLY N N 109.32 0.1 1 775 90 GLY H H 8.70 0.007 1 776 90 GLY CA C 45.95 0.5 1 777 90 GLY HA2 H 3.22 0.06 2 778 90 GLY HA3 H 3.91 0.06 2 779 90 GLY C C 172.13 0.09 1 780 91 LYS N N 117.62 0.1 1 781 91 LYS H H 8.48 0.007 1 782 91 LYS CA C 56.75 0.5 1 783 91 LYS HA H 4.28 0.06 1 784 91 LYS CB C 35.75 0.5 1 785 91 LYS HB2 H 1.49 0.06 2 786 91 LYS HB3 H 1.65 0.06 2 787 91 LYS CG C 23.85 0.5 1 788 91 LYS CD C 28.65 0.5 1 789 91 LYS CE C 41.95 0.5 1 790 91 LYS C C 175.72 0.09 1 791 92 THR N N 122.02 0.1 1 792 92 THR H H 9.65 0.007 1 793 92 THR CA C 63.35 0.5 1 794 92 THR HA H 4.20 0.06 1 795 92 THR CB C 67.55 0.5 1 796 92 THR CG2 C 20.95 0.5 1 797 92 THR C C 173.68 0.09 1 798 93 LEU N N 131.42 0.1 1 799 93 LEU H H 8.32 0.007 1 800 93 LEU CA C 56.05 0.5 1 801 93 LEU HA H 3.83 0.06 1 802 93 LEU CB C 42.85 0.5 1 803 93 LEU HB2 H 4.66 0.06 2 804 93 LEU HB3 H 4.83 0.06 2 805 93 LEU CG C 24.95 0.5 1 806 93 LEU C C 176.14 0.09 1 807 94 VAL N N 121.02 0.1 1 808 94 VAL H H 9.20 0.007 1 809 94 VAL CA C 63.85 0.5 1 810 94 VAL HA H 4.23 0.06 1 811 94 VAL CB C 33.55 0.5 1 812 94 VAL HB H 1.80 0.06 1 813 94 VAL CG1 C 20.95 0.5 2 814 94 VAL CG2 C 20.95 0.5 2 815 94 VAL C C 176.88 0.09 1 816 95 SER N N 112.82 0.1 1 817 95 SER H H 7.82 0.007 1 818 95 SER CA C 57.35 0.5 1 819 95 SER HA H 5.42 0.06 1 820 95 SER CB C 67.35 0.5 1 821 95 SER HB2 H 3.82 0.06 2 822 95 SER HB3 H 3.99 0.06 2 823 95 SER C C 174.12 0.09 1 824 96 LYS N N 116.52 0.1 1 825 96 LYS H H 8.93 0.007 1 826 96 LYS CA C 55.65 0.5 1 827 96 LYS HA H 5.25 0.06 1 828 96 LYS CB C 37.35 0.5 1 829 96 LYS HB2 H 1.98 0.06 2 830 96 LYS HB3 H 1.81 0.06 2 831 96 LYS CD C 29.65 0.5 1 832 96 LYS CE C 41.95 0.5 1 833 96 LYS C C 174.13 0.09 1 834 97 LYS N N 129.52 0.1 1 835 97 LYS H H 9.30 0.007 1 836 97 LYS CA C 55.05 0.5 1 837 97 LYS HA H 5.60 0.06 1 838 97 LYS CB C 36.25 0.5 1 839 97 LYS HB2 H 1.74 0.06 2 840 97 LYS HB3 H 1.93 0.06 2 841 97 LYS CG C 25.45 0.5 1 842 97 LYS CD C 29.65 0.5 1 843 97 LYS CE C 41.85 0.5 1 844 97 LYS C C 175.14 0.09 1 845 98 VAL N N 132.12 0.1 1 846 98 VAL H H 9.22 0.007 1 847 98 VAL CA C 61.05 0.5 1 848 98 VAL HA H 5.22 0.06 1 849 98 VAL CB C 33.95 0.5 1 850 98 VAL HB H 2.03 0.06 1 851 98 VAL CG1 C 20.75 0.5 2 852 98 VAL CG2 C 20.75 0.5 2 853 98 VAL C C 175.77 0.09 1 854 99 THR N N 124.42 0.1 1 855 99 THR H H 9.07 0.007 1 856 99 THR CA C 61.95 0.5 1 857 99 THR HA H 4.85 0.06 1 858 99 THR CB C 69.85 0.5 1 859 99 THR HB H 3.71 0.06 1 860 99 THR CG2 C 20.85 0.5 1 861 99 THR C C 173.10 0.09 1 862 100 SER N N 119.72 0.1 1 863 100 SER H H 8.54 0.007 1 864 100 SER CA C 57.05 0.5 1 865 100 SER HA H 5.37 0.06 1 866 100 SER CB C 64.65 0.5 1 867 100 SER HB2 H 3.96 0.06 2 868 100 SER HB3 H 4.06 0.06 2 869 100 SER C C 176.50 0.09 1 870 101 LYS N N 124.22 0.1 1 871 101 LYS H H 8.25 0.007 1 872 101 LYS CA C 58.75 0.5 1 873 101 LYS HA H 4.05 0.06 1 874 101 LYS CB C 32.65 0.5 1 875 101 LYS HB2 H 2.03 0.06 2 876 101 LYS HB3 H 2.03 0.06 2 877 101 LYS CG C 24.05 0.5 1 878 101 LYS CD C 29.35 0.5 1 879 101 LYS CE C 24.05 0.5 1 880 101 LYS C C 175.67 0.09 1 881 102 ASP N N 118.92 0.1 1 882 102 ASP H H 7.90 0.007 1 883 102 ASP CA C 53.85 0.5 1 884 102 ASP HA H 4.44 0.06 1 885 102 ASP CB C 39.45 0.5 1 886 102 ASP HB2 H 2.57 0.06 2 887 102 ASP HB3 H 3.07 0.06 2 888 102 ASP C C 175.25 0.09 1 889 103 LYS N N 109.62 0.1 1 890 103 LYS H H 7.94 0.007 1 891 103 LYS CA C 59.35 0.5 1 892 103 LYS HA H 3.77 0.06 1 893 103 LYS CB C 29.65 0.5 1 894 103 LYS HB2 H 2.05 0.06 2 895 103 LYS HB3 H 2.53 0.06 2 896 103 LYS CD C 25.85 0.5 1 897 103 LYS CE C 42.25 0.5 1 898 103 LYS C C 176.19 0.09 1 899 104 SER N N 117.12 0.1 1 900 104 SER H H 8.34 0.007 1 901 104 SER CA C 58.55 0.5 1 902 104 SER HA H 4.39 0.06 1 903 104 SER CB C 67.35 0.5 1 904 104 SER HB2 H 3.79 0.06 2 905 104 SER HB3 H 4.22 0.06 2 906 104 SER C C 173.14 0.09 1 907 105 SER N N 113.02 0.1 1 908 105 SER H H 8.97 0.007 1 909 105 SER CA C 57.35 0.5 1 910 105 SER HA H 5.61 0.06 1 911 105 SER CB C 67.35 0.5 1 912 105 SER HB2 H 3.85 0.06 2 913 105 SER HB3 H 3.85 0.06 2 914 105 SER C C 174.12 0.09 1 915 106 THR N N 116.52 0.1 1 916 106 THR H H 8.93 0.007 1 917 106 THR CA C 61.65 0.5 1 918 106 THR HA H 5.19 0.06 1 919 106 THR CB C 71.25 0.5 1 920 106 THR HB H 3.98 0.06 1 921 106 THR C C 172.88 0.09 1 922 107 GLU N N 128.22 0.1 1 923 107 GLU H H 9.26 0.007 1 924 107 GLU CA C 54.65 0.5 1 925 107 GLU HA H 5.38 0.06 1 926 107 GLU CB C 33.35 0.5 1 927 107 GLU HB2 H 1.78 0.06 2 928 107 GLU HB3 H 2.10 0.06 2 929 107 GLU CG C 36.55 0.5 1 930 107 GLU C C 174.38 0.09 1 931 108 GLU N N 125.82 0.1 1 932 108 GLU H H 9.23 0.007 1 933 108 GLU CA C 54.65 0.5 1 934 108 GLU HA H 4.96 0.06 1 935 108 GLU CB C 34.95 0.5 1 936 108 GLU HB2 H 1.55 0.06 2 937 108 GLU HB3 H 1.97 0.06 2 938 108 GLU CG C 37.55 0.5 1 939 108 GLU C C 174.48 0.09 1 940 109 LYS N N 120.72 0.1 1 941 109 LYS H H 8.28 0.007 1 942 109 LYS CA C 54.75 0.5 1 943 109 LYS HA H 4.85 0.06 1 944 109 LYS CB C 34.85 0.5 1 945 109 LYS HB2 H 1.60 0.06 2 946 109 LYS HB3 H 1.95 0.06 2 947 109 LYS CG C 24.95 0.5 1 948 109 LYS CD C 28.75 0.5 1 949 109 LYS CE C 42.15 0.5 1 950 109 LYS C C 174.94 0.09 1 951 110 PHE N N 120.52 0.1 1 952 110 PHE H H 7.80 0.007 1 953 110 PHE CA C 56.95 0.5 1 954 110 PHE HA H 5.14 0.06 1 955 110 PHE CB C 42.35 0.5 1 956 110 PHE HB2 H 2.81 0.06 2 957 110 PHE HB3 H 2.81 0.06 2 958 110 PHE C C 176.44 0.09 1 959 111 ASN N N 119.42 0.1 1 960 111 ASN H H 8.89 0.007 1 961 111 ASN CA C 50.65 0.5 1 962 111 ASN HA H 4.97 0.06 1 963 111 ASN CB C 38.75 0.5 1 964 111 ASN HB2 H 2.98 0.06 2 965 111 ASN HB3 H 3.62 0.06 2 966 111 ASN C C 177.67 0.09 1 967 112 GLU N N 118.32 0.1 1 968 112 GLU H H 9.21 0.007 1 969 112 GLU CA C 59.15 0.5 1 970 112 GLU HA H 4.18 0.06 1 971 112 GLU CB C 28.75 0.5 1 972 112 GLU HB2 H 2.14 0.06 2 973 112 GLU HB3 H 2.14 0.06 2 974 112 GLU CG C 36.15 0.5 1 975 112 GLU C C 176.84 0.09 1 976 113 LYS N N 117.62 0.1 1 977 113 LYS H H 7.63 0.007 1 978 113 LYS CA C 55.55 0.5 1 979 113 LYS HA H 4.45 0.06 1 981 113 LYS HB2 H 1.75 0.06 2 982 113 LYS HB3 H 2.04 0.06 2 983 113 LYS CG C 24.95 0.5 1 984 113 LYS CD C 28.75 0.5 1 985 113 LYS C C 176.81 0.09 1 986 114 GLY N N 107.72 0.1 1 987 114 GLY H H 8.26 0.007 1 988 114 GLY CA C 45.65 0.5 1 989 114 GLY HA2 H 3.88 0.06 2 990 114 GLY HA3 H 4.23 0.06 2 991 114 GLY C C 174.05 0.09 1 992 115 GLU N N 119.62 0.1 1 993 115 GLU H H 7.78 0.007 1 994 115 GLU CA C 54.05 0.5 1 995 115 GLU HA H 4.56 0.06 1 996 115 GLU CB C 30.55 0.5 1 997 115 GLU HB2 H 1.95 0.06 2 998 115 GLU HB3 H 1.95 0.06 2 999 115 GLU CG C 35.95 0.5 1 1000 115 GLU HG2 H 2.18 0.06 2 1001 115 GLU HG3 H 2.18 0.06 2 1002 115 GLU C C 176.20 0.09 1 1003 116 VAL N N 123.62 0.1 1 1004 116 VAL H H 8.44 0.007 1 1005 116 VAL CA C 63.45 0.5 1 1006 116 VAL HA H 3.51 0.06 1 1007 116 VAL CB C 31.55 0.5 1 1008 116 VAL HB H 1.78 0.06 1 1009 116 VAL C C 174.90 0.09 1 1010 117 SER N N 121.62 0.1 1 1011 117 SER H H 8.94 0.007 1 1012 117 SER CA C 58.25 0.5 1 1013 117 SER HA H 4.71 0.06 1 1014 117 SER CB C 65.35 0.5 1 1015 117 SER HB2 H 3.58 0.06 2 1016 117 SER HB3 H 3.90 0.06 2 1017 117 SER C C 174.19 0.09 1 1018 118 GLU N N 120.22 0.1 1 1019 118 GLU H H 7.41 0.007 1 1020 118 GLU CA C 55.25 0.5 1 1021 118 GLU HA H 4.92 0.06 1 1022 118 GLU CB C 34.05 0.5 1 1023 118 GLU HB2 H 1.97 0.06 2 1024 118 GLU HB3 H 1.97 0.06 2 1025 118 GLU CG C 36.75 0.5 1 1026 118 GLU HG2 H 2.15 0.06 2 1027 118 GLU HG3 H 2.15 0.06 2 1028 118 GLU C C 173.74 0.09 1 1029 119 LYS N N 123.42 0.1 1 1030 119 LYS H H 9.03 0.007 1 1031 119 LYS CA C 55.35 0.5 1 1032 119 LYS HA H 5.37 0.06 1 1033 119 LYS CB C 36.75 0.5 1 1034 119 LYS HB2 H 1.59 0.06 2 1035 119 LYS HB3 H 1.76 0.06 2 1036 119 LYS CD C 29.65 0.5 1 1037 119 LYS CE C 41.85 0.5 1 1038 119 LYS C C 173.25 0.09 1 1039 120 ILE N N 126.02 0.1 1 1040 120 ILE H H 9.39 0.007 1 1041 120 ILE CA C 60.05 0.5 1 1042 120 ILE HA H 4.94 0.06 1 1043 120 ILE CB C 40.45 0.5 1 1044 120 ILE HB H 1.90 0.06 1 1045 120 ILE CG1 C 27.75 0.5 2 1046 120 ILE CD1 C 13.25 0.5 1 1047 120 ILE CG2 C 18.05 0.5 2 1048 120 ILE C C 176.18 0.09 1 1049 121 ILE N N 133.02 0.1 1 1050 121 ILE H H 9.66 0.007 1 1051 121 ILE CA C 60.75 0.5 1 1052 121 ILE HA H 4.78 0.06 1 1053 121 ILE CB C 40.15 0.5 1 1054 121 ILE HB H 1.99 0.06 1 1055 121 ILE CG1 C 27.55 0.5 2 1056 121 ILE CD1 C 14.55 0.5 1 1057 121 ILE CG2 C 16.95 0.5 2 1058 121 ILE C C 175.05 0.09 1 1059 122 THR N N 124.52 0.1 1 1060 122 THR H H 9.35 0.007 1 1061 122 THR CA C 62.25 0.5 1 1062 122 THR HA H 4.73 0.06 1 1063 122 THR CB C 68.95 0.5 1 1064 122 THR HB H 4.24 0.06 1 1065 122 THR CG2 C 20.35 0.5 1 1066 122 THR C C 174.79 0.09 1 1067 123 ARG N N 125.52 0.1 1 1068 123 ARG H H 8.93 0.007 1 1069 123 ARG CA C 55.95 0.5 1 1070 123 ARG HA H 4.42 0.06 1 1071 123 ARG CB C 30.65 0.5 1 1072 123 ARG C C 177.96 0.09 1 1073 124 ALA N N 123.72 0.1 1 1074 124 ALA H H 8.88 0.007 1 1075 124 ALA CA C 54.75 0.5 1 1076 124 ALA HA H 3.90 0.06 1 1077 124 ALA CB C 18.45 0.5 1 1078 124 ALA HB H 1.43 0.06 2 1079 124 ALA C C 177.49 0.09 1 1080 125 ASP N N 112.52 0.1 1 1081 125 ASP H H 7.24 0.007 1 1082 125 ASP CA C 53.05 0.5 1 1083 125 ASP HA H 4.47 0.06 1 1085 125 ASP HB2 H 2.55 0.06 2 1086 125 ASP HB3 H 3.09 0.06 2 1087 125 ASP C C 177.28 0.09 1 1088 126 GLY N N 108.42 0.1 1 1089 126 GLY H H 8.03 0.007 1 1090 126 GLY CA C 45.15 0.5 1 1091 126 GLY HA2 H 3.54 0.06 2 1092 126 GLY HA3 H 4.35 0.06 2 1093 126 GLY C C 175.58 0.09 1 1094 127 THR N N 114.12 0.1 1 1095 127 THR H H 8.33 0.007 1 1096 127 THR CA C 62.75 0.5 1 1097 127 THR HA H 4.42 0.06 1 1098 127 THR CB C 70.45 0.5 1 1099 127 THR CG2 C 22.15 0.5 1 1100 127 THR C C 173.31 0.09 1 1101 128 ARG N N 114.92 0.1 1 1102 128 ARG H H 8.20 0.007 1 1103 128 ARG CA C 54.45 0.5 1 1104 128 ARG HA H 5.76 0.06 1 1105 128 ARG CB C 36.05 0.5 1 1106 128 ARG HB2 H 1.54 0.06 2 1107 128 ARG HB3 H 1.70 0.06 2 1108 128 ARG CG C 27.15 0.5 1 1109 128 ARG CD C 44.05 0.5 1 1110 128 ARG C C 174.74 0.09 1 1111 129 LEU N N 122.62 0.1 1 1112 129 LEU H H 9.11 0.007 1 1113 129 LEU CA C 53.65 0.5 1 1114 129 LEU HA H 4.93 0.06 1 1115 129 LEU CB C 45.15 0.5 1 1116 129 LEU HB2 H 1.13 0.06 2 1117 129 LEU HB3 H 1.43 0.06 2 1118 129 LEU CG C 24.35 0.5 1 1119 129 LEU C C 174.64 0.09 1 1120 130 GLU N N 120.72 0.1 1 1121 130 GLU H H 9.07 0.007 1 1122 130 GLU CA C 54.45 0.5 1 1123 130 GLU HA H 4.80 0.06 1 1124 130 GLU CB C 31.95 0.5 1 1125 130 GLU HB2 H 1.76 0.06 2 1126 130 GLU HB3 H 1.76 0.06 2 1127 130 GLU CG C 36.15 0.5 1 1128 130 GLU C C 175.16 0.09 1 1129 131 TYR N N 125.22 0.1 1 1130 131 TYR H H 9.39 0.007 1 1131 131 TYR CA C 54.75 0.5 1 1132 131 TYR HA H 6.00 0.06 1 1133 131 TYR CB C 39.95 0.5 1 1134 131 TYR C C 175.65 0.09 1 1135 132 THR N N 113.02 0.1 1 1136 132 THR H H 8.76 0.007 1 1137 132 THR CA C 59.45 0.5 1 1138 132 THR HA H 5.01 0.06 1 1140 132 THR HB H 4.25 0.06 1 1141 132 THR C C 173.59 0.09 1 1142 133 GLY N N 110.92 0.1 1 1143 133 GLY H H 8.80 0.007 1 1144 133 GLY CA C 47.15 0.5 1 1145 133 GLY HA2 H 3.78 0.06 2 1146 133 GLY HA3 H 3.92 0.06 2 1147 133 GLY C C 175.16 0.09 1 1148 134 ILE N N 117.82 0.1 1 1149 134 ILE H H 7.77 0.007 1 1150 134 ILE CA C 62.45 0.5 1 1151 134 ILE HA H 4.40 0.06 1 1152 134 ILE CB C 37.45 0.5 1 1153 134 ILE HB H 1.94 0.06 1 1154 134 ILE CD1 C 17.15 0.5 1 1155 134 ILE C C 177.48 0.09 1 1156 135 LYS N N 128.22 0.1 1 1157 135 LYS H H 8.86 0.007 1 1158 135 LYS CA C 54.85 0.5 1 1159 135 LYS CB C 34.95 0.5 1 1160 135 LYS CG C 24.85 0.5 1 1161 135 LYS CD C 28.65 0.5 1 1162 135 LYS C C 179.52 0.09 1 1163 136 SER N N 117.02 0.1 1 1164 136 SER H H 8.62 0.007 1 1165 136 SER CA C 61.45 0.5 1 1166 136 SER HA H 4.13 0.06 1 1167 136 SER CB C 62.85 0.5 1 1168 136 SER HB2 H 3.96 0.06 2 1169 136 SER HB3 H 3.96 0.06 2 1170 136 SER C C 174.43 0.09 1 1171 137 ASP N N 117.82 0.1 1 1172 137 ASP H H 7.59 0.007 1 1173 137 ASP CA C 53.15 0.5 1 1174 137 ASP HA H 4.28 0.06 1 1176 137 ASP HB2 H 2.04 0.06 2 1177 137 ASP HB3 H 2.04 0.06 2 1178 137 ASP C C 177.29 0.09 1 1179 138 GLY N N 109.52 0.1 1 1180 138 GLY H H 8.31 0.007 1 1181 138 GLY CA C 44.95 0.5 1 1182 138 GLY HA2 H 3.47 0.06 2 1183 138 GLY HA3 H 4.03 0.06 2 1184 138 GLY C C 172.55 0.09 1 1185 139 SER N N 114.42 0.1 1 1186 139 SER H H 7.85 0.007 1 1187 139 SER CA C 56.85 0.5 1 1188 139 SER HA H 4.88 0.06 1 1190 139 SER HB2 H 4.12 0.06 2 1191 139 SER HB3 H 4.12 0.06 2 1192 139 SER C C 173.27 0.09 1 1193 140 GLY N N 103.52 0.1 1 1194 140 GLY H H 8.23 0.007 1 1195 140 GLY CA C 46.05 0.5 1 1196 140 GLY HA2 H 3.77 0.06 2 1197 140 GLY HA3 H 4.39 0.06 2 1198 140 GLY C C 172.65 0.09 1 1199 141 LYS N N 123.62 0.1 1 1200 141 LYS H H 8.96 0.007 1 1201 141 LYS CA C 55.95 0.5 1 1202 141 LYS HA H 4.75 0.06 1 1203 141 LYS CB C 33.45 0.5 1 1204 141 LYS HB2 H 1.93 0.06 2 1205 141 LYS HB3 H 1.93 0.06 2 1206 141 LYS CG C 24.95 0.5 1 1207 141 LYS CD C 28.65 0.5 1 1208 141 LYS CE C 41.95 0.5 1 1209 141 LYS C C 174.80 0.09 1 1210 142 ALA N N 122.32 0.1 1 1211 142 ALA H H 7.92 0.007 1 1212 142 ALA CA C 49.85 0.5 1 1213 142 ALA HA H 5.59 0.06 1 1214 142 ALA CB C 25.45 0.5 1 1215 142 ALA HB H 1.09 0.06 1 1216 142 ALA C C 175.73 0.09 1 1217 143 LYS N N 121.22 0.1 1 1218 143 LYS H H 8.54 0.007 1 1219 143 LYS CA C 55.25 0.5 1 1220 143 LYS HA H 5.07 0.06 1 1221 143 LYS CB C 36.55 0.5 1 1222 143 LYS HB2 H 1.66 0.06 2 1223 143 LYS HB3 H 1.66 0.06 2 1224 143 LYS CG C 24.85 0.5 1 1225 143 LYS CD C 29.25 0.5 1 1226 143 LYS CE C 41.85 0.5 1 1227 143 LYS C C 173.50 0.09 1 1228 144 GLU N N 127.12 0.1 1 1229 144 GLU H H 9.53 0.007 1 1230 144 GLU CA C 54.45 0.5 1 1231 144 GLU HA H 5.17 0.06 1 1232 144 GLU CB C 32.55 0.5 1 1233 144 GLU HB2 H 1.47 0.06 2 1234 144 GLU HB3 H 2.15 0.06 2 1235 144 GLU CG C 37.15 0.5 1 1236 144 GLU C C 174.28 0.09 1 1237 145 VAL N N 129.52 0.1 1 1238 145 VAL H H 9.48 0.007 1 1239 145 VAL CA C 62.95 0.5 1 1240 145 VAL HA H 3.98 0.06 1 1241 145 VAL CB C 31.55 0.5 1 1242 145 VAL HB H 1.98 0.06 1 1243 145 VAL CG1 C 19.35 0.5 2 1244 145 VAL CG2 C 20.55 0.5 2 1245 145 VAL C C 174.82 0.09 1 1246 146 LEU N N 128.22 0.1 1 1247 146 LEU H H 7.75 0.007 1 1248 146 LEU CA C 52.55 0.5 1 1249 146 LEU HA H 4.54 0.06 1 1250 146 LEU CB C 40.55 0.5 1 1251 146 LEU HB2 H 4.68 0.06 2 1252 146 LEU HB3 H 1.25 0.06 2 1253 146 LEU CG C 27.45 0.5 1 1254 146 LEU CD1 C 22.65 0.5 2 1255 146 LEU CD2 C 24.05 0.5 2 1256 146 LEU C C 175.88 0.09 1 1257 147 LYS N N 119.72 0.1 1 1258 147 LYS H H 7.86 0.007 1 1259 147 LYS CA C 57.35 0.5 1 1260 147 LYS HA H 4.19 0.06 1 1262 147 LYS HB2 H 1.74 0.06 2 1263 147 LYS HB3 H 1.74 0.06 2 1264 147 LYS CG C 24.55 0.5 1 1265 147 LYS CD C 28.85 0.5 1 1266 147 LYS CE C 42.25 0.5 1 1267 147 LYS C C 176.25 0.09 1 1268 148 GLY N N 113.02 0.1 1 1269 148 GLY H H 7.96 0.007 1 1270 148 GLY CA C 45.15 0.5 1 1271 148 GLY HA2 H 3.73 0.06 2 1272 148 GLY HA3 H 4.78 0.06 2 1273 148 GLY C C 173.39 0.09 1 1274 149 TYR N N 113.82 0.1 1 1275 149 TYR H H 6.76 0.007 1 1276 149 TYR CA C 55.75 0.5 1 1277 149 TYR HA H 4.86 0.06 1 1278 149 TYR CB C 39.15 0.5 1 1279 149 TYR HB2 H 3.32 0.06 2 1280 149 TYR HB3 H 3.32 0.06 2 1281 149 TYR C C 171.33 0.09 1 1282 150 VAL N N 116.02 0.1 1 1283 150 VAL H H 7.98 0.007 1 1284 150 VAL CA C 59.55 0.5 1 1285 150 VAL HA H 5.03 0.06 1 1286 150 VAL CB C 35.15 0.5 1 1287 150 VAL HB H 1.98 0.06 1 1288 150 VAL CG1 C 20.95 0.5 2 1289 150 VAL CG2 C 20.95 0.5 2 1290 150 VAL C C 175.03 0.09 1 1291 151 LEU N N 123.12 0.1 1 1292 151 LEU H H 8.91 0.007 1 1293 151 LEU CA C 52.55 0.5 1 1294 151 LEU HA H 5.05 0.06 1 1295 151 LEU CB C 45.25 0.5 1 1296 151 LEU HB2 H 1.33 0.06 2 1297 151 LEU HB3 H 1.33 0.06 2 1298 151 LEU CG C 25.35 0.5 1 1299 151 LEU CD1 C 22.95 0.5 2 1300 151 LEU CD2 C 22.95 0.5 2 1301 151 LEU C C 175.95 0.09 1 1302 152 GLU N N 121.32 0.1 1 1303 152 GLU H H 9.48 0.007 1 1304 152 GLU CA C 55.35 0.5 1 1305 152 GLU HA H 5.11 0.06 1 1307 152 GLU HB2 H 2.14 0.06 2 1308 152 GLU HB3 H 2.25 0.06 2 1309 152 GLU CG C 37.55 0.5 1 1310 152 GLU C C 176.25 0.09 1 1311 153 GLY N N 107.92 0.1 1 1312 153 GLY H H 8.65 0.007 1 1313 153 GLY CA C 46.35 0.5 1 1314 153 GLY HA2 H 4.29 0.06 2 1315 153 GLY HA3 H 5.20 0.06 2 1316 153 GLY C C 174.13 0.09 1 1317 154 THR N N 117.82 0.1 1 1318 154 THR H H 9.15 0.007 1 1319 154 THR CA C 60.85 0.5 1 1320 154 THR HA H 4.97 0.06 1 1321 154 THR CB C 72.65 0.5 1 1322 154 THR HB H 4.30 0.06 1 1323 154 THR C C 171.44 0.09 1 1324 155 LEU N N 124.72 0.1 1 1325 155 LEU H H 8.38 0.007 1 1326 155 LEU CA C 53.95 0.5 1 1327 155 LEU HA H 4.94 0.06 1 1328 155 LEU CB C 45.05 0.5 1 1329 155 LEU HB2 H 1.26 0.06 2 1330 155 LEU HB3 H 1.26 0.06 2 1331 155 LEU CG C 25.05 0.5 1 1332 155 LEU CD1 C 22.15 0.5 2 1333 155 LEU CD2 C 22.15 0.5 2 1334 155 LEU C C 175.56 0.09 1 1335 156 THR N N 117.02 0.1 1 1336 156 THR H H 8.45 0.007 1 1337 156 THR CA C 60.05 0.5 1 1338 156 THR HA H 4.46 0.06 1 1339 156 THR CB C 72.65 0.5 1 1340 156 THR C C 173.60 0.09 1 1341 157 ALA N N 121.02 0.1 1 1342 157 ALA H H 8.76 0.007 1 1343 157 ALA CA C 54.15 0.5 1 1344 157 ALA HA H 4.01 0.06 1 1345 157 ALA CB C 17.95 0.5 1 1346 157 ALA HB H 1.43 0.06 1 1347 157 ALA C C 178.20 0.09 1 1348 158 GLU N N 112.22 0.1 1 1349 158 GLU H H 7.91 0.007 1 1350 158 GLU CA C 57.55 0.5 1 1351 158 GLU HA H 4.21 0.06 1 1352 158 GLU CB C 31.25 0.5 1 1353 158 GLU HB2 H 1.95 0.06 2 1354 158 GLU HB3 H 1.95 0.06 2 1355 158 GLU CG C 36.25 0.5 1 1356 158 GLU HG2 H 2.17 0.06 2 1357 158 GLU HG3 H 2.17 0.06 2 1358 158 GLU C C 176.01 0.09 1 1359 159 LYS N N 115.42 0.1 1 1360 159 LYS H H 7.57 0.007 1 1361 159 LYS CA C 55.85 0.5 1 1362 159 LYS HA H 4.71 0.06 1 1363 159 LYS CB C 34.45 0.5 1 1364 159 LYS HB2 H 1.45 0.06 2 1365 159 LYS HB3 H 1.93 0.06 2 1366 159 LYS CG C 22.55 0.5 1 1367 159 LYS CD C 29.65 0.5 1 1368 159 LYS C C 174.27 0.09 1 1369 160 THR N N 119.92 0.1 1 1370 160 THR H H 8.64 0.007 1 1371 160 THR CA C 62.15 0.5 1 1372 160 THR HA H 4.97 0.06 1 1373 160 THR CB C 70.35 0.5 1 1374 160 THR HB H 4.12 0.06 1 1375 160 THR CG2 C 20.75 0.5 1 1376 160 THR C C 173.29 0.09 1 1377 161 THR N N 123.92 0.1 1 1378 161 THR H H 9.10 0.007 1 1379 161 THR CA C 62.05 0.5 1 1380 161 THR HA H 5.06 0.06 1 1381 161 THR CB C 71.15 0.5 1 1382 161 THR HB H 3.72 0.06 1 1383 161 THR CG2 C 19.35 0.5 1 1384 161 THR C C 172.56 0.09 1 1385 162 LEU N N 130.82 0.1 1 1386 162 LEU H H 9.30 0.007 1 1387 162 LEU CA C 53.45 0.5 1 1388 162 LEU HA H 4.69 0.06 1 1389 162 LEU CB C 42.15 0.5 1 1390 162 LEU HB2 H 1.76 0.06 2 1391 162 LEU HB3 H 2.03 0.06 2 1392 162 LEU CG C 25.35 0.5 1 1393 162 LEU CD1 C 24.05 0.5 2 1394 162 LEU CD2 C 27.15 0.5 2 1395 162 LEU C C 175.54 0.09 1 1396 163 VAL N N 119.72 0.1 1 1397 163 VAL H H 8.41 0.007 1 1398 163 VAL CA C 61.05 0.5 1 1399 163 VAL HA H 5.32 0.06 1 1400 163 VAL CB C 36.05 0.5 1 1401 163 VAL HB H 1.90 0.06 1 1402 163 VAL CG1 C 20.75 0.5 2 1403 163 VAL CG2 C 20.75 0.5 2 1404 163 VAL C C 175.54 0.09 1 1405 164 VAL N N 125.82 0.1 1 1406 164 VAL H H 9.09 0.007 1 1407 164 VAL CA C 61.55 0.5 1 1408 164 VAL HA H 4.33 0.06 1 1409 164 VAL CB C 34.85 0.5 1 1410 164 VAL HB H 1.91 0.06 1 1411 164 VAL CG1 C 21.35 0.5 2 1412 164 VAL CG2 C 21.35 0.5 2 1413 164 VAL C C 173.26 0.09 1 1414 165 LYS N N 126.82 0.1 1 1415 165 LYS H H 8.40 0.007 1 1416 165 LYS CA C 54.45 0.5 1 1417 165 LYS HA H 5.26 0.06 1 1418 165 LYS CB C 35.75 0.5 1 1419 165 LYS HB2 H 1.54 0.06 2 1420 165 LYS HB3 H 1.80 0.06 2 1421 165 LYS CG C 24.95 0.5 1 1422 165 LYS CD C 29.25 0.5 1 1423 165 LYS CE C 41.95 0.5 1 1424 165 LYS C C 175.41 0.09 1 1425 166 GLU N N 124.22 0.1 1 1426 166 GLU H H 8.56 0.007 1 1427 166 GLU CA C 55.35 0.5 1 1428 166 GLU HA H 4.59 0.06 1 1430 166 GLU CG C 34.95 0.5 1 1431 166 GLU C C 175.81 0.09 1 1432 167 GLY N N 120.22 0.1 1 1433 167 GLY H H 8.99 0.007 1 1434 167 GLY CA C 46.95 0.5 1 1435 167 GLY HA2 H 3.71 0.06 2 1436 167 GLY HA3 H 4.16 0.06 2 1437 167 GLY C C 175.84 0.09 1 1438 168 THR N N 118.62 0.1 1 1439 168 THR H H 8.70 0.007 1 1440 168 THR CA C 62.85 0.5 1 1441 168 THR HA H 4.96 0.06 1 1442 168 THR CB C 67.55 0.5 1 1443 168 THR HB H 4.22 0.06 1 1444 168 THR CG2 C 21.55 0.5 1 1445 168 THR C C 174.40 0.09 1 1446 169 VAL N N 125.02 0.1 1 1447 169 VAL H H 8.33 0.007 1 1448 169 VAL CA C 62.45 0.5 1 1449 169 VAL HA H 4.70 0.06 1 1450 169 VAL CB C 32.95 0.5 1 1451 169 VAL HB H 2.35 0.06 1 1452 169 VAL CG1 C 23.05 0.5 2 1453 169 VAL CG2 C 23.05 0.5 2 1454 169 VAL C C 175.36 0.09 1 1455 170 THR N N 122.32 0.1 1 1456 170 THR H H 9.04 0.007 1 1457 170 THR CA C 62.05 0.5 1 1458 170 THR HA H 4.80 0.06 1 1459 170 THR CB C 70.75 0.5 1 1460 170 THR HB H 3.93 0.06 1 1461 170 THR CG2 C 21.15 0.5 1 1462 170 THR C C 173.17 0.09 1 1463 171 LEU N N 132.92 0.1 1 1464 171 LEU H H 9.52 0.007 1 1465 171 LEU CA C 53.85 0.5 1 1466 171 LEU HA H 4.93 0.06 1 1467 171 LEU CB C 44.85 0.5 1 1468 171 LEU HB2 H 1.32 0.06 2 1469 171 LEU HB3 H 1.32 0.06 2 1470 171 LEU CG C 25.95 0.5 1 1471 171 LEU CD1 C 24.95 0.5 2 1472 171 LEU CD2 C 24.95 0.5 2 1473 171 LEU C C 174.07 0.09 1 1474 172 SER N N 121.82 0.1 1 1475 172 SER H H 8.96 0.007 1 1476 172 SER CA C 56.55 0.5 1 1477 172 SER HA H 5.36 0.06 1 1478 172 SER CB C 64.05 0.5 1 1479 172 SER HB2 H 3.50 0.06 2 1480 172 SER HB3 H 3.50 0.06 2 1481 172 SER C C 171.62 0.09 1 1482 173 LYS N N 126.82 0.1 1 1483 173 LYS H H 9.49 0.007 1 1484 173 LYS CA C 54.65 0.5 1 1485 173 LYS HA H 4.30 0.06 1 1486 173 LYS CB C 34.55 0.5 1 1487 173 LYS CG C 25.75 0.5 1 1488 173 LYS CD C 30.85 0.5 1 1489 173 LYS CE C 41.75 0.5 1 1490 173 LYS C C 173.39 0.09 1 1491 174 ASN N N 125.82 0.1 1 1492 174 ASN H H 8.99 0.007 1 1493 174 ASN CA C 51.55 0.5 1 1494 174 ASN HA H 5.69 0.06 1 1495 174 ASN CB C 40.95 0.5 1 1496 174 ASN HB2 H 2.14 0.06 2 1497 174 ASN HB3 H 2.69 0.06 2 1498 174 ASN C C 174.31 0.09 1 1499 175 ILE N N 121.32 0.1 1 1500 175 ILE H H 9.17 0.007 1 1501 175 ILE CA C 60.15 0.5 1 1502 175 ILE HA H 4.68 0.06 1 1503 175 ILE CB C 40.75 0.5 1 1504 175 ILE HB H 1.55 0.06 1 1505 175 ILE CG1 C 26.85 0.5 2 1506 175 ILE CD1 C 14.45 0.5 1 1507 175 ILE CG2 C 17.05 0.5 2 1508 175 ILE C C 177.34 0.09 1 1509 176 SER N N 125.02 0.1 1 1510 176 SER H H 9.17 0.007 1 1511 176 SER CA C 57.95 0.5 1 1512 176 SER HA H 4.60 0.06 1 1513 176 SER CB C 64.85 0.5 1 1514 176 SER HB2 H 4.07 0.06 2 1515 176 SER HB3 H 4.07 0.06 2 1516 176 SER C C 176.03 0.09 1 1517 177 LYS N N 122.32 0.1 1 1518 177 LYS H H 8.46 0.007 1 1519 177 LYS CA C 59.15 0.5 1 1520 177 LYS HA H 4.09 0.06 1 1521 177 LYS CB C 31.65 0.5 1 1522 177 LYS HB2 H 1.92 0.06 2 1523 177 LYS HB3 H 1.92 0.06 2 1524 177 LYS CG C 24.35 0.5 1 1525 177 LYS CD C 29.05 0.5 1 1526 177 LYS CE C 41.85 0.5 1 1527 177 LYS C C 177.11 0.09 1 1528 178 SER N N 111.72 0.1 1 1529 178 SER H H 7.92 0.007 1 1530 178 SER CA C 57.75 0.5 1 1531 178 SER HA H 4.50 0.06 1 1533 178 SER HB2 H 3.83 0.06 2 1534 178 SER HB3 H 3.83 0.06 2 1535 178 SER C C 174.90 0.09 1 1536 179 GLY N N 110.82 0.1 1 1537 179 GLY H H 8.02 0.007 1 1538 179 GLY CA C 45.05 0.5 1 1539 179 GLY HA2 H 3.46 0.06 2 1540 179 GLY HA3 H 4.31 0.06 2 1541 179 GLY C C 173.87 0.09 1 1542 180 GLU N N 121.02 0.1 1 1543 180 GLU H H 7.73 0.007 1 1544 180 GLU CA C 56.75 0.5 1 1545 180 GLU HA H 4.29 0.06 1 1546 180 GLU CB C 30.45 0.5 1 1547 180 GLU HB2 H 1.95 0.06 2 1548 180 GLU HB3 H 1.95 0.06 2 1549 180 GLU CG C 36.25 0.5 1 1550 180 GLU HG2 H 2.19 0.06 2 1551 180 GLU HG3 H 2.19 0.06 2 1552 180 GLU C C 176.45 0.09 1 1553 181 VAL N N 128.72 0.1 1 1554 181 VAL H H 8.77 0.007 1 1555 181 VAL CA C 61.35 0.5 1 1556 181 VAL HA H 5.03 0.06 1 1557 181 VAL CB C 33.45 0.5 1 1558 181 VAL HB H 2.06 0.06 1 1559 181 VAL CG1 C 22.25 0.5 2 1560 181 VAL CG2 C 20.85 0.5 2 1561 181 VAL C C 175.71 0.09 1 1562 182 SER N N 120.72 0.1 1 1563 182 SER H H 8.71 0.007 1 1564 182 SER CA C 57.05 0.5 1 1565 182 SER CB C 64.95 0.5 1 1566 182 SER C C 171.07 0.09 1 1567 183 VAL N N 119.72 0.1 1 1568 183 VAL H H 3.98 0.007 1 1569 183 VAL CA C 59.55 0.5 1 1570 183 VAL HA H 4.59 0.06 1 1571 183 VAL CB C 33.55 0.5 1 1572 183 VAL HB H 4.78 0.06 1 1573 183 VAL CG1 C 19.45 0.5 2 1574 183 VAL CG2 C 17.45 0.5 2 1575 183 VAL C C 173.00 0.09 1 1576 184 GLU N N 123.42 0.1 1 1577 184 GLU H H 8.51 0.007 1 1578 184 GLU CA C 53.65 0.5 1 1579 184 GLU HA H 4.55 0.06 1 1580 184 GLU CB C 34.15 0.5 1 1581 184 GLU HB2 H 1.78 0.06 2 1582 184 GLU HB3 H 1.78 0.06 2 1583 184 GLU CG C 35.75 0.5 1 1584 184 GLU HG2 H 1.90 0.06 2 1585 184 GLU HG3 H 1.90 0.06 2 1586 184 GLU C C 173.22 0.09 1 1587 185 LEU N N 123.42 0.1 1 1588 185 LEU H H 8.61 0.007 1 1589 185 LEU CA C 53.95 0.5 1 1590 185 LEU HA H 5.25 0.06 1 1591 185 LEU CB C 46.85 0.5 1 1592 185 LEU HB2 H 1.34 0.06 2 1593 185 LEU HB3 H 1.59 0.06 2 1594 185 LEU CG C 27.25 0.5 1 1595 185 LEU CD1 C 25.85 0.5 2 1596 185 LEU CD2 C 25.85 0.5 2 1597 185 LEU C C 174.70 0.09 1 1598 186 ASN N N 124.02 0.1 1 1599 186 ASN H H 8.87 0.007 1 1600 186 ASN CA C 52.85 0.5 1 1601 186 ASN HA H 5.11 0.06 1 1602 186 ASN CB C 42.95 0.5 1 1603 186 ASN HB2 H 2.64 0.06 2 1604 186 ASN HB3 H 2.64 0.06 2 1605 186 ASN C C 172.12 0.09 1 1606 187 ASP N N 125.82 0.1 1 1607 187 ASP H H 8.54 0.007 1 1608 187 ASP CA C 52.25 0.5 1 1609 187 ASP HA H 5.60 0.06 1 1610 187 ASP CB C 44.85 0.5 1 1611 187 ASP HB2 H 2.53 0.06 2 1612 187 ASP HB3 H 3.21 0.06 2 1613 187 ASP C C 177.30 0.09 1 1614 188 THR N N 116.42 0.1 1 1615 188 THR H H 8.48 0.007 1 1616 188 THR CA C 62.45 0.5 1 1617 188 THR HA H 4.59 0.06 1 1618 188 THR CB C 68.45 0.5 1 1619 188 THR HB H 4.26 0.06 1 1620 188 THR CG2 C 21.15 0.5 1 1621 188 THR C C 175.45 0.09 1 1622 189 ASP N N 125.82 0.1 1 1623 189 ASP H H 8.37 0.007 1 1624 189 ASP CA C 55.05 0.5 1 1625 189 ASP HA H 4.29 0.06 1 1626 189 ASP CB C 41.05 0.5 1 1627 189 ASP HB2 H 2.51 0.06 2 1628 189 ASP HB3 H 2.98 0.06 2 1629 189 ASP C C 176.25 0.09 1 1630 190 SER N N 120.02 0.1 1 1631 190 SER H H 8.17 0.007 1 1632 190 SER CA C 58.45 0.5 1 1633 190 SER HA H 4.42 0.06 1 1634 190 SER CB C 64.25 0.5 1 1635 190 SER HB2 H 3.89 0.06 2 1636 190 SER HB3 H 4.06 0.06 2 1637 190 SER C C 175.62 0.09 1 1638 191 SER N N 119.72 0.1 1 1639 191 SER H H 8.49 0.007 1 1640 191 SER CA C 57.25 0.5 1 1641 191 SER HA H 4.50 0.06 1 1642 191 SER CB C 63.35 0.5 1 1643 191 SER HB2 H 3.89 0.06 2 1644 191 SER HB3 H 4.12 0.06 2 1645 191 SER C C 174.98 0.09 1 1646 192 ALA N N 130.82 0.1 1 1647 192 ALA H H 8.71 0.007 1 1648 192 ALA CA C 54.55 0.5 1 1649 192 ALA HA H 4.00 0.06 1 1650 192 ALA CB C 18.35 0.5 1 1651 192 ALA HB H 1.44 0.06 2 1652 192 ALA C C 178.92 0.09 1 1653 193 ALA N N 117.02 0.1 1 1654 193 ALA H H 7.97 0.007 1 1655 193 ALA CA C 53.95 0.5 1 1656 193 ALA HA H 4.07 0.06 1 1657 193 ALA CB C 19.25 0.5 1 1658 193 ALA HB H 1.37 0.06 2 1659 193 ALA C C 177.78 0.09 1 1660 194 THR N N 102.22 0.1 1 1661 194 THR H H 6.99 0.007 1 1662 194 THR CA C 61.05 0.5 1 1663 194 THR HA H 4.30 0.06 1 1664 194 THR CB C 69.45 0.5 1 1665 194 THR CG2 C 21.45 0.5 1 1666 194 THR C C 174.41 0.09 1 1667 195 LYS N N 123.32 0.1 1 1668 195 LYS H H 7.58 0.007 1 1669 195 LYS CA C 57.25 0.5 1 1670 195 LYS HA H 4.15 0.06 1 1671 195 LYS CB C 33.15 0.5 1 1672 195 LYS HB2 H 1.49 0.06 2 1673 195 LYS HB3 H 1.75 0.06 2 1674 195 LYS CG C 26.85 0.5 1 1675 195 LYS CD C 29.65 0.5 1 1676 195 LYS CE C 39.15 0.5 1 1677 195 LYS C C 176.19 0.09 1 1678 196 LYS N N 129.22 0.1 1 1679 196 LYS H H 10.28 0.007 1 1680 196 LYS CA C 56.85 0.5 1 1681 196 LYS HA H 4.83 0.06 1 1682 196 LYS CB C 33.75 0.5 1 1683 196 LYS HB2 H 1.64 0.06 2 1684 196 LYS HB3 H 1.87 0.06 2 1685 196 LYS CG C 26.95 0.5 1 1686 196 LYS CD C 28.85 0.5 1 1687 196 LYS C C 176.18 0.09 1 1688 197 THR N N 112.02 0.1 1 1689 197 THR H H 8.56 0.007 1 1690 197 THR CA C 60.05 0.5 1 1691 197 THR HA H 4.57 0.06 1 1692 197 THR CB C 71.75 0.5 1 1693 197 THR HB H 4.22 0.06 1 1694 197 THR CG2 C 14.65 0.5 1 1695 197 THR C C 172.75 0.09 1 1696 198 ALA N N 121.52 0.1 1 1697 198 ALA H H 8.83 0.007 1 1698 198 ALA CA C 51.05 0.5 1 1699 198 ALA HA H 5.62 0.06 1 1700 198 ALA CB C 25.55 0.5 1 1701 198 ALA HB H 1.38 0.06 2 1702 198 ALA C C 175.37 0.09 1 1703 199 ALA N N 122.62 0.1 1 1704 199 ALA H H 8.25 0.007 1 1705 199 ALA CA C 50.65 0.5 1 1706 199 ALA HA H 4.89 0.06 1 1707 199 ALA CB C 22.15 0.5 1 1708 199 ALA HB H 1.43 0.06 2 1709 199 ALA C C 175.44 0.09 1 1710 200 TRP N N 124.52 0.1 1 1711 200 TRP H H 8.89 0.007 1 1712 200 TRP CA C 55.05 0.5 1 1713 200 TRP HA H 5.44 0.06 1 1714 200 TRP CB C 32.15 0.5 1 1715 200 TRP HB2 H 3.23 0.06 2 1716 200 TRP HB3 H 3.45 0.06 2 1717 200 TRP C C 174.45 0.09 1 1718 201 ASN N N 127.42 0.1 1 1719 201 ASN H H 8.13 0.007 1 1720 201 ASN CA C 50.85 0.5 1 1721 201 ASN HA H 4.76 0.06 1 1722 201 ASN CB C 39.35 0.5 1 1723 201 ASN HB2 H 2.41 0.06 2 1724 201 ASN HB3 H 2.41 0.06 2 1725 201 ASN C C 174.68 0.09 1 1726 202 SER N N 120.22 0.1 1 1727 202 SER H H 8.60 0.007 1 1728 202 SER CA C 60.65 0.5 1 1729 202 SER HA H 4.06 0.06 1 1731 202 SER HB2 H 3.78 0.06 2 1732 202 SER HB3 H 3.78 0.06 2 1733 202 SER C C 176.60 0.09 1 1734 203 GLY N N 109.82 0.1 1 1735 203 GLY H H 8.35 0.007 1 1736 203 GLY CA C 46.45 0.5 1 1737 203 GLY HA2 H 3.96 0.06 2 1738 203 GLY HA3 H 3.96 0.06 2 1739 203 GLY C C 175.36 0.09 1 1740 204 THR N N 107.22 0.1 1 1741 204 THR H H 6.99 0.007 1 1742 204 THR CA C 60.05 0.5 1 1743 204 THR HA H 4.39 0.06 1 1744 204 THR CB C 69.35 0.5 1 1745 204 THR CG2 C 20.65 0.5 1 1746 204 THR C C 175.54 0.09 1 1747 205 SER N N 121.02 0.1 1 1748 205 SER H H 7.56 0.007 1 1749 205 SER CA C 59.05 0.5 1 1750 205 SER HA H 4.55 0.06 1 1751 205 SER CB C 62.45 0.5 1 1752 205 SER HB2 H 3.40 0.06 2 1753 205 SER HB3 H 3.96 0.06 2 1754 205 SER C C 172.14 0.09 1 1755 206 THR N N 110.32 0.1 1 1756 206 THR H H 6.64 0.007 1 1757 206 THR CA C 61.55 0.5 1 1758 206 THR HA H 5.13 0.06 1 1759 206 THR CB C 71.65 0.5 1 1760 206 THR HB H 3.62 0.06 1 1761 206 THR CG2 C 18.45 0.5 1 1762 206 THR C C 172.63 0.09 1 1763 207 LEU N N 133.22 0.1 1 1764 207 LEU H H 10.21 0.007 1 1765 207 LEU CA C 53.05 0.5 1 1766 207 LEU HA H 5.53 0.06 1 1767 207 LEU CB C 45.65 0.5 1 1768 207 LEU CG C 26.85 0.5 1 1769 207 LEU CD1 C 24.35 0.5 2 1770 207 LEU CD2 C 24.35 0.5 2 1771 207 LEU C C 175.22 0.09 1 1772 208 THR N N 126.12 0.1 1 1773 208 THR H H 9.15 0.007 1 1774 208 THR CA C 62.45 0.5 1 1775 208 THR HA H 5.60 0.06 1 1776 208 THR CB C 71.25 0.5 1 1777 208 THR HB H 3.82 0.06 1 1778 208 THR CG2 C 20.75 0.5 1 1779 208 THR C C 175.31 0.09 1 1780 209 ILE N N 131.72 0.1 1 1781 209 ILE H H 9.55 0.007 1 1782 209 ILE CA C 61.75 0.5 1 1783 209 ILE HA H 4.67 0.06 1 1784 209 ILE CB C 39.05 0.5 1 1785 209 ILE HB H 1.95 0.06 1 1786 209 ILE CG1 C 17.05 0.5 2 1787 209 ILE CD1 C 13.35 0.5 1 1788 209 ILE CG2 C 17.05 0.5 2 1789 209 ILE C C 174.12 0.09 1 1790 210 THR N N 124.42 0.1 1 1791 210 THR H H 9.15 0.007 1 1792 210 THR CA C 61.35 0.5 1 1793 210 THR HA H 5.00 0.06 1 1794 210 THR CB C 71.35 0.5 1 1795 210 THR HB H 3.62 0.06 1 1796 210 THR CG2 C 20.15 0.5 1 1797 210 THR C C 173.00 0.09 1 1798 211 VAL N N 123.72 0.1 1 1799 211 VAL H H 8.61 0.007 1 1800 211 VAL CA C 61.65 0.5 1 1801 211 VAL HA H 4.29 0.06 1 1802 211 VAL CB C 35.25 0.5 1 1803 211 VAL HB H 1.81 0.06 1 1804 211 VAL CG1 C 20.75 0.5 2 1805 211 VAL CG2 C 20.75 0.5 2 1806 211 VAL C C 177.03 0.09 1 1807 212 ASN N N 131.12 0.1 1 1808 212 ASN H H 10.13 0.007 1 1809 212 ASN CA C 53.45 0.5 1 1810 212 ASN HA H 4.33 0.06 1 1811 212 ASN CB C 36.75 0.5 1 1812 212 ASN HB2 H 2.77 0.06 2 1813 212 ASN HB3 H 3.24 0.06 2 1814 212 ASN C C 174.99 0.09 1 1815 213 SER N N 105.92 0.1 1 1816 213 SER H H 8.65 0.007 1 1817 213 SER CA C 60.55 0.5 1 1818 213 SER HA H 4.21 0.06 1 1819 213 SER CB C 62.45 0.5 1 1820 213 SER HB2 H 3.73 0.06 2 1821 213 SER HB3 H 4.00 0.06 2 1822 213 SER C C 172.69 0.09 1 1823 214 LYS N N 122.42 0.1 1 1824 214 LYS H H 7.82 0.007 1 1825 214 LYS CA C 54.55 0.5 1 1826 214 LYS HA H 4.62 0.06 1 1827 214 LYS CB C 34.75 0.5 1 1828 214 LYS HB2 H 1.64 0.06 2 1829 214 LYS HB3 H 1.64 0.06 2 1830 214 LYS CG C 24.35 0.5 1 1831 214 LYS CD C 29.05 0.5 1 1832 214 LYS CE C 42.25 0.5 1 1833 214 LYS C C 174.83 0.09 1 1834 215 LYS N N 125.72 0.1 1 1835 215 LYS H H 8.20 0.007 1 1836 215 LYS CA C 57.65 0.5 1 1837 215 LYS HA H 4.17 0.06 1 1838 215 LYS CB C 30.55 0.5 1 1839 215 LYS CD C 29.15 0.5 1 1840 215 LYS CE C 41.85 0.5 1 1841 215 LYS C C 176.62 0.09 1 1842 216 THR N N 112.02 0.1 1 1843 216 THR H H 9.17 0.007 1 1844 216 THR CA C 62.65 0.5 1 1845 216 THR HA H 4.71 0.06 1 1846 216 THR CB C 69.15 0.5 1 1847 216 THR HB H 4.17 0.06 1 1848 216 THR CG2 C 22.15 0.5 1 1849 216 THR C C 176.79 0.09 1 1850 217 LYS N N 120.22 0.1 1 1851 217 LYS H H 7.57 0.007 1 1852 217 LYS CA C 55.85 0.5 1 1853 217 LYS HA H 5.46 0.06 1 1854 217 LYS CB C 36.55 0.5 1 1855 217 LYS HB2 H 1.65 0.06 2 1856 217 LYS HB3 H 2.03 0.06 2 1857 217 LYS CG C 24.15 0.5 1 1858 217 LYS CD C 29.05 0.5 1 1859 217 LYS CE C 42.15 0.5 1 1860 217 LYS C C 173.38 0.09 1 1861 218 ASP N N 120.72 0.1 1 1862 218 ASP H H 8.95 0.007 1 1863 218 ASP CA C 53.05 0.5 1 1864 218 ASP HA H 5.85 0.06 1 1865 218 ASP CB C 43.25 0.5 1 1866 218 ASP HB2 H 2.21 0.06 2 1867 218 ASP HB3 H 2.38 0.06 2 1868 218 ASP C C 176.33 0.09 1 1869 219 LEU N N 125.22 0.1 1 1870 219 LEU H H 9.61 0.007 1 1871 219 LEU CA C 53.85 0.5 1 1872 219 LEU HA H 5.63 0.06 1 1873 219 LEU CB C 44.45 0.5 1 1874 219 LEU HB2 H 1.53 0.06 2 1875 219 LEU HB3 H 2.03 0.06 2 1876 219 LEU CG C 28.75 0.5 1 1877 219 LEU CD1 C 25.15 0.5 2 1878 219 LEU CD2 C 25.15 0.5 2 1879 219 LEU C C 175.07 0.09 1 1880 220 VAL N N 125.22 0.1 1 1881 220 VAL H H 8.69 0.007 1 1882 220 VAL CA C 61.55 0.5 1 1883 220 VAL HA H 4.72 0.06 1 1884 220 VAL CB C 31.95 0.5 1 1885 220 VAL HB H 2.23 0.06 1 1886 220 VAL CG1 C 20.75 0.5 2 1887 220 VAL CG2 C 20.75 0.5 2 1888 220 VAL C C 174.66 0.09 1 1889 221 PHE N N 128.12 0.1 1 1890 221 PHE H H 8.71 0.007 1 1891 221 PHE CA C 56.65 0.5 1 1892 221 PHE HA H 4.91 0.06 1 1893 221 PHE CB C 37.95 0.5 1 1894 221 PHE HB2 H 3.29 0.06 2 1895 221 PHE HB3 H 3.18 0.06 2 1896 221 PHE C C 176.60 0.09 1 1897 222 THR N N 113.62 0.1 1 1898 222 THR H H 8.53 0.007 1 1899 222 THR CA C 61.85 0.5 1 1900 222 THR HA H 4.66 0.06 1 1901 222 THR CB C 71.25 0.5 1 1902 222 THR HB H 4.36 0.06 1 1903 222 THR CG2 C 18.35 0.5 1 1904 222 THR C C 177.48 0.09 1 1905 223 LYS N N 120.72 0.1 1 1906 223 LYS H H 8.90 0.007 1 1907 223 LYS CA C 57.55 0.5 1 1908 223 LYS HA H 4.29 0.06 1 1909 223 LYS CB C 31.55 0.5 1 1910 223 LYS HB2 H 1.93 0.06 2 1911 223 LYS HB3 H 1.93 0.06 2 1912 223 LYS CG C 24.65 0.5 1 1913 223 LYS CD C 28.75 0.5 1 1914 223 LYS CE C 42.25 0.5 1 1915 223 LYS C C 176.82 0.09 1 1916 224 GLU N N 117.32 0.1 1 1917 224 GLU H H 7.58 0.007 1 1918 224 GLU CA C 56.15 0.5 1 1919 224 GLU HA H 4.48 0.06 1 1920 224 GLU CB C 28.25 0.5 1 1921 224 GLU HB2 H 1.91 0.06 2 1922 224 GLU HB3 H 2.24 0.06 2 1923 224 GLU CG C 36.65 0.5 1 1924 224 GLU C C 174.06 0.09 1 1925 225 ASN N N 111.22 0.1 1 1926 225 ASN H H 7.78 0.007 1 1927 225 ASN CA C 55.55 0.5 1 1928 225 ASN HA H 4.43 0.06 1 1929 225 ASN CB C 36.45 0.5 1 1930 225 ASN HB2 H 2.62 0.06 2 1931 225 ASN HB3 H 3.11 0.06 2 1932 225 ASN C C 174.11 0.09 1 1933 226 THR N N 107.22 0.1 1 1934 226 THR H H 7.33 0.007 1 1935 226 THR CA C 58.75 0.5 1 1936 226 THR HA H 4.65 0.06 1 1937 226 THR CB C 72.25 0.5 1 1938 226 THR HB H 4.32 0.06 1 1939 226 THR C C 173.15 0.09 1 1940 227 ILE N N 121.32 0.1 1 1941 227 ILE H H 8.40 0.007 1 1942 227 ILE CA C 59.65 0.5 1 1943 227 ILE HA H 5.26 0.06 1 1944 227 ILE CB C 41.15 0.5 1 1945 227 ILE HB H 1.19 0.06 1 1946 227 ILE CG1 C 26.95 0.5 2 1947 227 ILE CD1 C 16.95 0.5 1 1948 227 ILE C C 175.82 0.09 1 1949 228 THR N N 116.22 0.1 1 1950 228 THR H H 8.97 0.007 1 1951 228 THR CA C 58.75 0.5 1 1952 228 THR HA H 5.42 0.06 1 1953 228 THR CB C 71.35 0.5 1 1954 228 THR HB H 5.21 0.06 1 1955 228 THR CG2 C 17.85 0.5 1 1956 228 THR C C 173.13 0.09 1 1957 229 VAL N N 119.82 0.1 1 1958 229 VAL H H 9.03 0.007 1 1959 229 VAL CA C 59.35 0.5 1 1960 229 VAL HA H 5.31 0.06 1 1961 229 VAL CB C 35.45 0.5 1 1962 229 VAL HB H 1.81 0.06 1 1963 229 VAL CG1 C 19.35 0.5 2 1964 229 VAL CG2 C 19.35 0.5 2 1965 229 VAL C C 173.75 0.09 1 1966 230 GLN N N 127.92 0.1 1 1967 230 GLN H H 8.47 0.007 1 1968 230 GLN CA C 55.45 0.5 1 1969 230 GLN HA H 4.61 0.06 1 1970 230 GLN CB C 31.45 0.5 1 1971 230 GLN HB2 H 1.77 0.06 2 1972 230 GLN HB3 H 1.77 0.06 2 1973 230 GLN CG C 33.35 0.5 1 1974 230 GLN C C 173.40 0.09 1 1975 231 GLN N N 124.72 0.1 1 1976 231 GLN H H 8.78 0.007 1 1977 231 GLN CA C 55.25 0.5 1 1978 231 GLN HA H 4.94 0.06 1 1979 231 GLN CB C 30.95 0.5 1 1980 231 GLN HB2 H 2.14 0.06 2 1981 231 GLN HB3 H 2.40 0.06 2 1982 231 GLN CG C 34.45 0.5 1 1984 232 TYR N N 118.92 0.1 1 1985 232 TYR H H 7.57 0.007 1 1986 232 TYR CA C 58.15 0.5 1 1987 232 TYR HA H 4.88 0.06 1 1988 232 TYR CB C 41.35 0.5 1 1989 232 TYR HB2 H 2.81 0.06 2 1990 232 TYR HB3 H 2.81 0.06 2 1991 233 ASP N N 118.12 0.1 1 1992 233 ASP H H 8.86 0.007 1 1993 233 ASP CA C 53.45 0.5 1 1994 233 ASP HA H 4.60 0.06 1 1995 233 ASP CB C 41.25 0.5 1 1996 233 ASP C C 177.32 0.09 1 1997 234 SER N N 115.72 0.1 1 1998 234 SER H H 8.73 0.007 1 1999 234 SER CA C 61.45 0.5 1 2000 234 SER HA H 4.16 0.06 1 2001 234 SER CB C 62.95 0.5 1 2002 234 SER HB2 H 3.96 0.06 2 2003 234 SER HB3 H 3.96 0.06 2 2004 234 SER C C 175.00 0.09 1 2005 235 ASN N N 116.52 0.1 1 2006 235 ASN H H 7.91 0.007 1 2007 235 ASN CA C 53.25 0.5 1 2008 235 ASN HA H 4.83 0.06 1 2010 235 ASN HB2 H 2.90 0.06 2 2011 235 ASN HB3 H 2.90 0.06 2 2012 235 ASN C C 175.80 0.09 1 2013 236 GLY N N 110.22 0.1 1 2014 236 GLY H H 8.39 0.007 1 2015 236 GLY CA C 46.65 0.5 1 2016 236 GLY HA2 H 4.03 0.06 2 2017 236 GLY HA3 H 4.03 0.06 2 2018 236 GLY C C 174.73 0.09 1 2019 237 THR N N 113.62 0.1 1 2020 237 THR H H 9.34 0.007 1 2021 237 THR CA C 63.25 0.5 1 2022 237 THR HA H 4.48 0.06 1 2023 237 THR CB C 70.05 0.5 1 2024 237 THR HB H 4.33 0.06 1 2025 237 THR CG2 C 21.15 0.5 1 2026 237 THR C C 174.55 0.09 1 2027 238 LYS N N 122.32 0.1 1 2028 238 LYS H H 8.39 0.007 1 2029 238 LYS CA C 54.85 0.5 1 2030 238 LYS HA H 4.66 0.06 1 2031 238 LYS CB C 35.05 0.5 1 2032 238 LYS HB2 H 1.77 0.06 2 2033 238 LYS HB3 H 1.77 0.06 2 2034 238 LYS CG C 23.45 0.5 1 2035 238 LYS CD C 29.05 0.5 1 2036 238 LYS CE C 42.05 0.5 1 2037 238 LYS C C 174.35 0.09 1 2038 239 LEU N N 123.12 0.1 1 2039 239 LEU H H 8.05 0.007 1 2040 239 LEU CA C 55.05 0.5 1 2041 239 LEU HA H 3.90 0.06 1 2042 239 LEU CB C 42.55 0.5 1 2043 239 LEU HB2 H 1.35 0.06 2 2044 239 LEU HB3 H 1.35 0.06 2 2045 239 LEU CG C 26.85 0.5 1 2046 239 LEU CD1 C 25.35 0.5 2 2047 239 LEU CD2 C 25.35 0.5 2 2048 239 LEU C C 176.96 0.09 1 2049 240 GLU N N 121.82 0.1 1 2050 240 GLU H H 8.62 0.007 1 2051 240 GLU CA C 54.55 0.5 1 2052 240 GLU HA H 4.61 0.06 1 2054 240 GLU HB2 H 1.76 0.06 2 2055 240 GLU HB3 H 1.87 0.06 2 2056 240 GLU CG C 35.75 0.5 1 2057 240 GLU HG2 H 2.09 0.06 2 2058 240 GLU HG3 H 2.09 0.06 2 2059 240 GLU C C 177.62 0.09 1 2060 241 GLY N N 111.92 0.1 1 2061 241 GLY H H 8.69 0.007 1 2062 241 GLY CA C 46.35 0.5 1 2063 241 GLY HA2 H 3.79 0.06 2 2064 241 GLY HA3 H 3.96 0.06 2 2065 241 GLY C C 173.51 0.09 1 2066 242 SER N N 117.52 0.1 1 2067 242 SER H H 8.12 0.007 1 2068 242 SER CA C 56.85 0.5 1 2069 242 SER HA H 4.70 0.06 1 2070 242 SER CB C 65.35 0.5 1 2071 242 SER HB2 H 3.66 0.06 2 2072 242 SER HB3 H 3.81 0.06 2 2073 242 SER C C 173.05 0.09 1 2074 243 ALA N N 125.82 0.1 1 2075 243 ALA H H 8.44 0.007 1 2076 243 ALA CA C 52.15 0.5 1 2077 243 ALA HA H 4.43 0.06 1 2078 243 ALA CB C 18.55 0.5 1 2079 243 ALA HB H 1.21 0.06 1 2080 243 ALA C C 177.33 0.09 1 2081 244 VAL N N 122.62 0.1 1 2082 244 VAL H H 8.64 0.007 1 2083 244 VAL CA C 60.95 0.5 1 2084 244 VAL HA H 4.32 0.06 1 2085 244 VAL CB C 34.75 0.5 1 2086 244 VAL HB H 2.00 0.06 1 2087 244 VAL CG1 C 20.55 0.5 2 2088 244 VAL CG2 C 20.55 0.5 2 2089 244 VAL C C 175.01 0.09 1 2090 245 GLU N N 126.82 0.1 1 2091 245 GLU H H 8.54 0.007 1 2092 245 GLU CA C 56.65 0.5 1 2093 245 GLU HA H 4.40 0.06 1 2094 245 GLU CB C 30.85 0.5 1 2095 245 GLU HB2 H 1.51 0.06 2 2096 245 GLU HB3 H 1.94 0.06 2 2097 245 GLU CG C 36.55 0.5 1 2098 245 GLU C C 176.20 0.09 1 2099 246 ILE N N 128.22 0.1 1 2100 246 ILE H H 8.86 0.007 1 2101 246 ILE CA C 61.05 0.5 1 2102 246 ILE HA H 4.06 0.06 1 2103 246 ILE CB C 37.35 0.5 1 2104 246 ILE HB H 1.86 0.06 1 2105 246 ILE CG2 C 17.85 0.5 2 2106 246 ILE C C 177.03 0.09 1 2107 247 THR N N 117.32 0.1 1 2108 247 THR H H 9.37 0.007 1 2109 247 THR CA C 61.55 0.5 1 2110 247 THR HA H 4.86 0.06 1 2111 247 THR CB C 71.05 0.5 1 2112 247 THR HB H 4.50 0.06 1 2113 247 THR CG2 C 20.85 0.5 1 2114 247 THR C C 173.16 0.09 1 2115 248 LYS N N 117.02 0.1 1 2116 248 LYS H H 7.27 0.007 1 2117 248 LYS CA C 54.45 0.5 1 2118 248 LYS HA H 4.74 0.06 1 2119 248 LYS CB C 35.95 0.5 1 2120 248 LYS HB2 H 1.69 0.06 2 2121 248 LYS HB3 H 2.12 0.06 2 2122 248 LYS CG C 23.65 0.5 1 2123 248 LYS CD C 29.05 0.5 1 2124 248 LYS CE C 41.85 0.5 1 2125 248 LYS C C 176.34 0.09 1 2126 249 LEU N N 124.92 0.1 1 2127 249 LEU H H 8.93 0.007 1 2128 249 LEU CA C 57.85 0.5 1 2129 249 LEU HA H 3.61 0.06 1 2130 249 LEU CB C 41.85 0.5 1 2131 249 LEU HB2 H 1.75 0.06 2 2132 249 LEU HB3 H 1.90 0.06 2 2133 249 LEU CG C 25.55 0.5 1 2134 249 LEU CD1 C 27.35 0.5 2 2135 249 LEU CD2 C 23.55 0.5 2 2136 249 LEU C C 179.34 0.09 1 2137 250 ASP N N 115.22 0.1 1 2138 250 ASP H H 8.80 0.007 1 2139 250 ASP CA C 57.05 0.5 1 2140 250 ASP HA H 4.21 0.06 1 2141 250 ASP CB C 40.35 0.5 1 2142 250 ASP HB2 H 2.40 0.06 2 2143 250 ASP HB3 H 2.69 0.06 2 2144 250 ASP C C 177.98 0.09 1 2145 251 GLU N N 115.92 0.1 1 2146 251 GLU H H 7.22 0.007 1 2147 251 GLU CA C 58.35 0.5 1 2148 251 GLU HA H 4.11 0.06 1 2149 251 GLU CB C 30.65 0.5 1 2150 251 GLU HB2 H 1.99 0.06 2 2151 251 GLU HB3 H 1.99 0.06 2 2152 251 GLU CG C 37.05 0.5 1 2153 251 GLU C C 179.53 0.09 1 2154 252 ILE N N 120.12 0.1 1 2155 252 ILE H H 7.32 0.007 1 2156 252 ILE CA C 64.65 0.5 1 2157 252 ILE HA H 3.67 0.06 1 2158 252 ILE CB C 37.55 0.5 1 2159 252 ILE HB H 1.86 0.06 1 2160 252 ILE CG1 C 29.55 0.5 2 2161 252 ILE CD1 C 17.15 0.5 1 2162 252 ILE C C 176.87 0.09 1 2163 253 LYS N N 117.82 0.1 1 2164 253 LYS H H 7.42 0.007 1 2165 253 LYS CA C 61.05 0.5 1 2166 253 LYS HA H 3.57 0.06 1 2167 253 LYS CB C 31.45 0.5 1 2168 253 LYS HB2 H 1.91 0.06 2 2169 253 LYS HB3 H 1.91 0.06 2 2170 253 LYS CG C 26.85 0.5 1 2171 253 LYS CD C 29.35 0.5 1 2172 253 LYS CE C 45.55 0.5 1 2173 253 LYS C C 178.85 0.09 1 2174 254 ASN N N 114.52 0.1 1 2175 254 ASN H H 8.02 0.007 1 2176 254 ASN CA C 55.65 0.5 1 2177 254 ASN HA H 4.27 0.06 1 2178 254 ASN CB C 38.15 0.5 1 2179 254 ASN HB2 H 2.77 0.06 2 2180 254 ASN HB3 H 2.77 0.06 2 2181 254 ASN C C 177.56 0.09 1 2182 255 ALA N N 121.02 0.1 1 2183 255 ALA H H 7.38 0.007 1 2184 255 ALA CA C 53.65 0.5 1 2185 255 ALA HA H 4.18 0.06 1 2186 255 ALA CB C 17.45 0.5 1 2187 255 ALA HB H 2.06 0.06 1 2188 255 ALA C C 177.10 0.09 1 2189 256 LEU N N 116.22 0.1 1 2190 256 LEU H H 7.30 0.007 1 2191 256 LEU CA C 54.05 0.5 1 2192 256 LEU HA H 4.17 0.06 1 2193 256 LEU CB C 41.45 0.5 1 2194 256 LEU HB2 H 1.64 0.06 2 2195 256 LEU HB3 H 1.86 0.06 2 2196 256 LEU CG C 25.45 0.5 1 2197 256 LEU CD1 C 21.25 0.5 2 2198 256 LEU CD2 C 21.25 0.5 2 2201 257 LYS H H 6.88 0.007 1 stop_ save_