data_2yuq_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2yuq _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.3 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.815 0.34 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 64.9 t -113.13 120.33 62.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -111.12 163.26 8.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.2 mp -132.12 148.23 32.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.101 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.8 126.27 38.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.4 mt -71.55 -31.08 66.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -137.93 160.32 39.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.97 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -80.8 97.69 7.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 49.2 t80 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 -179.84 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.87 0.367 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tp -118.56 142.46 47.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.954 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.05 110.13 20.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.6 mt -75.12 161.92 28.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.5 tpp180 -119.17 136.77 54.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.0 ttp85 -64.25 126.83 29.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 71.39 40.25 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -134.34 128.93 34.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.532 ' O ' ' CD1' ' A' ' 44' ' ' TYR . 14.1 mp0 -78.39 162.51 26.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.532 ' CD1' ' O ' ' A' ' 43' ' ' GLU . 58.1 m-85 -154.35 138.48 16.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 4.0 t -77.53 121.61 24.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.471 HD13 ' CZ3' ' A' ' 55' ' ' TRP . 2.5 tt -75.0 108.36 7.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 95.2 mt -72.65 -58.55 3.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -157.91 134.58 9.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 50' ' ' SER . 58.8 p -98.49 33.4 2.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 49' ' ' SER . 41.1 t -37.47 -53.39 1.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -92.04 179.95 5.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 46.9 mt -107.43 -57.32 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.116 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -69.64 -29.27 66.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.83 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 73.1 m95 -120.54 123.33 42.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.471 ' CZ3' HD13 ' A' ' 46' ' ' LEU . 12.6 m0 -115.22 139.8 49.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.934 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.4 ttt85 -89.42 112.87 24.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.6 m -128.27 173.2 13.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -133.74 141.28 47.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 60' ' ' ARG . 13.3 t70 -77.75 174.11 11.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.47 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 14.5 ptt180 -72.24 -21.17 61.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -89.8 -40.54 12.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 135.58 42.56 0.12 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.507 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -119.77 111.08 17.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.748 0.308 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -109.16 168.06 9.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 161.96 -173.73 38.33 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.427 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -93.47 127.05 38.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.915 0.388 . . . . 0.0 110.903 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.2 m -133.63 154.3 80.61 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.688 0.756 . . . . 0.0 111.091 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 104.21 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.32 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.5 p -40.63 -30.51 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.1 t -51.64 -46.44 63.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.843 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -66.66 -41.61 87.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.954 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 42.1 mt -68.7 143.32 54.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.93 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.1 m -138.37 144.63 29.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -75.82 115.48 15.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.7 tptt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.2 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.826 0.346 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.6 t -99.27 123.74 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -110.9 175.63 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.6 mt -143.77 142.45 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.172 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.37 131.51 34.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.075 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.5 mt -77.0 -34.68 57.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.451 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 1.8 m-85 -132.37 163.31 28.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -82.56 103.51 12.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.855 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 16.5 t80 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.954 -179.872 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.86 0.362 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.2 tp -110.58 142.08 42.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -95.35 106.32 18.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.078 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.2 mt -67.72 -176.31 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -143.72 144.66 31.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -62.63 129.04 38.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 62.54 53.54 2.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -139.55 122.73 16.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.407 ' O ' ' CD1' ' A' ' 44' ' ' TYR . 2.5 mp0 -73.9 160.65 31.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.407 ' CD1' ' O ' ' A' ' 43' ' ' GLU . 74.0 m-85 -153.42 132.79 12.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.972 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 32.3 t -79.3 106.54 11.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.3 tp -60.68 126.06 26.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.6 mt -93.83 -64.61 1.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -143.86 146.2 32.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 57.1 p -116.58 45.77 1.75 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.2 p -44.64 -35.44 2.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.434 ' O ' ' CD1' ' A' ' 55' ' ' TRP . 49.9 mt-10 -118.8 176.9 5.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.867 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.2 mt -97.18 -53.34 8.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -70.83 -40.3 72.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 79.4 m95 -106.42 117.89 35.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.455 ' CD2' ' HB2' ' A' ' 69' ' ' SER . 19.8 m0 -116.75 135.83 53.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -89.9 113.62 25.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.412 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 2.9 m -128.57 177.65 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.107 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -136.39 142.19 43.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -83.93 162.04 20.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -60.42 -28.84 68.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 29.6 m-20 -77.16 -38.66 51.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 129.6 30.57 0.64 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.48 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.468 ' CD2' ' N ' ' A' ' 63' ' ' HIS . 0.6 OUTLIER -115.49 120.25 38.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.786 0.327 . . . . 0.0 110.885 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.412 ' CB ' ' O ' ' A' ' 57' ' ' VAL . 0.1 OUTLIER -120.42 179.1 4.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 160.2 -171.43 36.46 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.486 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -94.18 105.22 17.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.877 0.37 . . . . 0.0 110.962 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.3 m -116.36 152.79 48.45 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.623 0.725 . . . . 0.0 111.126 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 108.04 1.99 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.69 2.26 . . . . 0.0 112.409 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.455 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 1.8 t -44.98 -30.6 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 m -47.03 -51.38 17.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.451 ' CE2' ' HB2' ' A' ' 26' ' ' TYR . 3.1 m-85 -63.72 -39.51 94.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.406 ' C ' HG12 ' A' ' 73' ' ' VAL . 59.9 mt -68.81 141.5 55.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.963 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.406 HG12 ' C ' ' A' ' 72' ' ' LEU . 3.8 m -134.79 142.01 41.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -73.21 109.2 6.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.7 tttp . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 179.959 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.2 m . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.86 0.362 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 74.0 t -104.24 134.61 45.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.4 m -121.45 159.7 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.41 ' CD1' ' HA ' ' A' ' 75' ' ' LYS . 3.6 mp -125.77 146.7 31.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.117 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.45 126.44 35.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.5 mt -73.02 -31.34 64.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.451 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 4.5 m-85 -133.99 166.92 21.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -88.06 93.09 9.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.466 ' HB2' ' CD2' ' A' ' 71' ' ' TYR . 28.2 t80 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.444 ' OE1' ' N ' ' A' ' 35' ' ' GLU . 13.0 mp0 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.842 0.354 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.2 tp -120.71 141.04 50.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.42 103.21 15.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 71.8 mt -63.27 160.29 16.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.945 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.6 ttt85 -118.43 145.13 45.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 25.7 ttt-85 -69.12 121.93 17.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 74.51 39.26 0.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -129.05 140.2 51.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.46 ' N ' ' OE1' ' A' ' 43' ' ' GLU . 2.6 mp0 -91.46 154.55 19.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -148.01 143.95 27.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 41.4 t -88.37 132.76 34.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.6 tp -83.79 112.08 19.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.943 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.467 ' CD1' ' HB2' ' A' ' 58' ' ' GLN . 16.3 mt -83.11 -56.21 3.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -153.48 123.25 6.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.449 ' HB3' ' NE1' ' A' ' 55' ' ' TRP . 25.5 m -101.17 39.23 1.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.821 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.0 t -42.14 -52.71 4.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -88.2 163.25 16.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.895 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 22.3 mt -88.45 -53.81 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 44.0 m-70 -73.66 -35.68 65.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 67.8 m95 -108.04 122.17 46.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.449 ' NE1' ' HB3' ' A' ' 49' ' ' SER . 13.5 m0 -117.11 143.67 45.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 31.3 ttt-85 -94.82 119.42 33.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.1 m -130.84 172.29 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.467 ' HB2' ' CD1' ' A' ' 47' ' ' LEU . 40.0 tt0 -138.33 121.84 17.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.485 ' CG ' ' N ' ' A' ' 60' ' ' ARG . 3.4 t70 -63.79 168.35 5.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.485 ' N ' ' CG ' ' A' ' 59' ' ' ASP . 22.7 tpt180 -57.54 -37.85 73.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.854 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -73.69 -46.53 45.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 139.66 31.69 0.18 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.468 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -99.31 110.89 23.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.764 0.316 . . . . 0.0 110.844 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -106.2 164.81 11.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 160.16 153.91 7.11 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.528 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -65.33 117.93 8.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.911 0.386 . . . . 0.0 110.955 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.9 m -123.07 151.19 61.21 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.649 0.738 . . . . 0.0 111.099 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 103.0 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.656 2.237 . . . . 0.0 112.314 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.3 p -39.47 -34.46 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.6 m -45.19 -48.59 12.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.466 ' CD2' ' HB2' ' A' ' 28' ' ' TYR . 3.4 m-85 -66.98 -44.96 79.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.926 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 76.9 mt -67.35 144.67 55.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.0 m -144.3 134.16 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -56.82 112.98 1.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.41 ' HA ' ' CD1' ' A' ' 23' ' ' ILE . 18.8 tptp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.7 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.814 0.34 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.4 t -100.15 136.32 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.156 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.0 m -128.31 153.9 38.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.3 mp -120.29 153.96 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.96 135.83 34.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.481 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 10.6 mt -84.06 -27.13 28.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.481 ' CE1' ' HB2' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -143.88 162.79 35.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.49 94.71 8.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 49.2 t80 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 -179.845 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.838 0.351 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 tp -109.21 145.76 35.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.16 109.44 21.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 39.7 mt -70.23 158.91 34.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.1 tpp85 -123.19 134.89 54.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.7 ttp180 -62.13 125.53 24.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 73.6 54.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -147.49 135.77 21.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -87.04 154.13 21.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -148.57 129.48 14.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 49.3 t -74.01 123.52 24.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.855 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 59.7 tp -74.18 101.72 4.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 80.8 mt -66.9 -67.19 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -144.65 146.45 32.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.7 p -110.32 36.71 2.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 26.2 t -38.24 -42.03 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -109.84 -178.05 3.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 83.9 mt -107.04 -47.7 8.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.09 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -75.98 -43.59 43.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 46.5 m95 -107.98 123.73 49.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 17.7 m0 -116.27 155.21 28.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -101.54 116.54 32.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.2 m -133.38 167.82 25.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -130.09 140.68 50.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -81.78 166.89 19.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 46.6 ttt-85 -58.58 -37.32 75.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -72.04 -49.64 35.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 143.89 33.07 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.469 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -111.02 120.33 42.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.801 0.334 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.445 ' OE1' ' C ' ' A' ' 64' ' ' GLU . 0.4 OUTLIER -124.94 168.85 12.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.878 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 166.25 -170.91 41.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.517 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -92.61 114.15 26.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.948 0.404 . . . . 0.0 110.892 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.5 m -123.23 154.15 65.21 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.626 0.726 . . . . 0.0 111.137 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.7 108.16 2.01 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.684 2.256 . . . . 0.0 112.321 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 94.8 p -41.56 -41.77 2.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.86 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.3 m -41.09 -51.77 3.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.789 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.475 ' CE2' ' HB2' ' A' ' 26' ' ' TYR . 7.0 m-85 -59.26 -37.99 78.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 59.1 mt -77.09 142.4 39.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.0 m -137.71 141.32 39.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -66.01 109.17 2.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.1 ttpt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.92 179.937 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.3 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.856 0.36 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 85.9 t -93.48 134.21 31.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.4 m -125.56 153.11 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.438 ' CD1' ' HB2' ' A' ' 75' ' ' LYS . 2.0 mp -118.12 140.86 39.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.102 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.51 128.09 35.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.068 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.3 mt -68.51 -44.57 74.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -124.71 169.5 11.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -87.94 98.92 11.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 33.1 t80 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.864 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.881 0.372 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.421 ' HG ' ' N ' ' A' ' 37' ' ' ALA . 10.0 tp -133.92 149.87 51.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.928 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.421 ' N ' ' HG ' ' A' ' 36' ' ' LEU . . . -96.76 112.84 24.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.082 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 62.9 mt -80.6 175.94 10.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.462 ' HB3' ' CG ' ' A' ' 42' ' ' GLU . 23.5 ttt85 -135.49 149.8 49.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 56.3 ttt180 -70.11 131.19 43.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 64.73 37.83 7.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.462 ' CG ' ' HB3' ' A' ' 39' ' ' ARG . 32.1 mm-40 -127.91 119.99 26.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -76.16 154.01 35.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.421 ' CE1' ' O ' ' A' ' 42' ' ' GLU . 78.4 m-85 -141.62 130.2 22.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 38.3 t -72.58 109.37 6.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.493 HD13 ' CE3' ' A' ' 55' ' ' TRP . 3.0 tt -67.62 120.32 13.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.0 mt -85.71 -59.03 2.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -145.07 143.41 30.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 80.9 p -113.54 38.77 2.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.4 t -44.61 -57.47 3.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.812 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -90.46 -176.97 4.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 74.8 mt -108.22 -62.42 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.133 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -60.01 -39.77 86.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 45.9 m95 -112.98 125.59 54.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.493 ' CE3' HD13 ' A' ' 46' ' ' LEU . 10.5 m0 -119.15 150.91 39.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 54.4 ttt180 -96.59 109.71 22.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.813 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.443 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 13.6 m -126.43 174.92 9.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -140.07 128.95 23.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -69.06 164.65 21.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.64 -8.84 38.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -93.44 -46.67 7.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 140.26 32.71 0.15 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.47 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -120.28 121.78 39.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.78 0.324 . . . . 0.0 110.833 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.443 ' CB ' ' O ' ' A' ' 57' ' ' VAL . 0.2 OUTLIER -125.43 159.59 31.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 175.41 -164.02 34.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -97.29 110.67 23.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.947 0.403 . . . . 0.0 110.918 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.7 m -118.48 153.13 51.83 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.651 0.739 . . . . 0.0 111.123 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 107.67 1.91 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.674 2.25 . . . . 0.0 112.349 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.3 p -43.14 -35.08 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.9 m -44.96 -42.07 7.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -74.2 -42.93 59.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.6 mt -68.09 143.51 55.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.4 m -139.31 140.46 37.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -74.53 110.52 8.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.438 ' HB2' ' CD1' ' A' ' 23' ' ' ILE . 13.3 tttp . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.4 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.824 0.345 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.2 t -113.77 136.03 51.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.5 m -124.82 168.81 16.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.176 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.3 mt -130.01 149.08 33.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.01 119.64 32.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.077 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.1 mt -66.29 -39.92 89.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -130.71 152.45 50.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -73.68 95.8 2.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.836 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 74.2 t80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 -179.842 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.861 0.362 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.7 tp -114.75 145.12 42.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -96.46 104.38 16.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 61.7 mt -59.63 163.76 4.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -121.32 129.3 53.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -60.48 129.51 41.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 64.95 51.8 1.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -145.16 136.09 24.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -78.65 153.17 31.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -148.79 127.56 12.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.942 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 49.0 t -76.43 133.57 39.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 27.1 tp -81.55 106.74 13.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 62.5 mt -68.21 -57.24 6.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -156.68 138.95 14.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 78.0 p -101.77 37.85 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.7 p -45.1 -48.23 12.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -103.51 -178.31 3.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 86.8 mt -110.57 -49.46 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -71.3 -44.41 65.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 62.0 m95 -112.9 118.59 35.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 16.7 m0 -108.27 158.6 17.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -103.63 115.32 30.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.1 m -130.63 171.17 18.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -137.69 136.03 37.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.424 ' CG ' ' N ' ' A' ' 60' ' ' ARG . 11.9 t70 -76.27 166.72 23.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.424 ' N ' ' CG ' ' A' ' 59' ' ' ASP . 7.2 ptt180 -63.95 -26.63 68.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -75.96 -51.03 13.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 142.2 34.04 0.1 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -119.11 125.26 48.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.716 0.293 . . . . 0.0 110.844 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -125.26 178.51 5.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 163.17 -143.8 8.98 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.483 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -120.87 126.8 50.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.919 0.39 . . . . 0.0 110.9 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.6 m -137.1 153.38 75.1 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.624 0.726 . . . . 0.0 111.103 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 110.8 2.64 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.706 2.271 . . . . 0.0 112.335 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 85.3 p -43.85 -37.42 2.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 71.7 m -42.39 -42.6 3.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -71.7 -37.98 70.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.8 mt -70.76 133.3 46.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.0 m -127.02 132.67 69.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -64.65 106.88 1.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 67.0 tttt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.9 179.951 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.3 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.795 0.331 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 43' ' ' GLU . 54.7 t -119.43 141.27 40.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.102 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.6 m -125.71 158.53 34.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.118 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.2 mt -125.3 141.35 45.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.98 127.31 34.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.133 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.8 mt -73.91 -37.66 64.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -129.03 142.21 50.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 27' ' ' ASP . 7.3 p-10 -62.65 92.05 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.445 ' HB2' ' CD2' ' A' ' 71' ' ' TYR . 63.3 t80 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.887 0.375 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.455 ' HG ' ' N ' ' A' ' 37' ' ' ALA . 7.3 tp -122.6 150.82 42.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.455 ' N ' ' HG ' ' A' ' 36' ' ' LEU . . . -95.1 109.45 21.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.5 mt -77.99 162.87 26.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.94 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -117.54 137.82 52.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.1 ttm180 -61.51 127.94 33.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 63.29 53.45 2.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -142.94 133.11 24.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.563 ' O ' ' CD1' ' A' ' 44' ' ' TYR . 17.2 mp0 -80.43 163.36 23.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.937 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.563 ' CD1' ' O ' ' A' ' 43' ' ' GLU . 41.1 m-85 -152.66 149.97 28.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.983 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.7 p -97.07 102.02 13.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.6 tp -55.13 131.93 46.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 89.6 mt -95.7 -52.26 4.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -147.4 148.57 31.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.4 p -124.39 38.95 4.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.3 t -54.63 -45.25 73.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -96.85 163.61 12.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 40.1 mt -95.12 -56.37 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.096 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 33.9 m-70 -67.98 -39.26 83.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 70.3 m95 -107.67 123.76 48.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 8.6 m0 -117.22 142.8 46.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.935 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -101.37 110.21 22.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 16.3 m -123.0 164.62 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.156 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -116.47 129.0 55.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.541 ' HA ' ' CD2' ' A' ' 44' ' ' TYR . 31.1 t70 -66.91 169.4 8.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 61' ' ' ASN . 8.9 ptt-85 -68.71 -33.85 74.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.404 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 35.0 m-20 -69.54 -50.95 40.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 145.56 33.75 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.468 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -111.82 174.17 6.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.728 0.299 . . . . 0.0 110.836 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -156.3 171.53 20.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 156.69 152.14 6.19 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.548 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -67.36 127.08 31.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.883 0.373 . . . . 0.0 110.929 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.2 m -132.81 154.78 81.57 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.655 0.74 . . . . 0.0 111.156 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 107.39 1.84 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.726 2.284 . . . . 0.0 112.371 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.3 p -40.74 -30.43 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.846 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.8 m -48.84 -49.92 36.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.445 ' CD2' ' HB2' ' A' ' 28' ' ' TYR . 3.2 m-85 -64.89 -43.32 93.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 94.3 mt -73.08 141.27 47.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.1 m -133.87 133.03 56.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.088 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -66.25 105.06 1.31 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 54.6 tttt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.948 179.962 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 58.6 m . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.839 0.352 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 72.5 t -123.7 125.83 71.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.0 m -116.84 154.7 18.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.419 HG22 ' N ' ' A' ' 24' ' ' ALA . 3.9 mp -118.34 147.82 21.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.419 ' N ' HG22 ' A' ' 23' ' ' ILE . . . -94.32 117.45 30.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.3 mt -61.99 -29.87 70.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.469 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 1.3 m-85 -139.11 170.56 15.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.415 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 17.2 p-10 -92.19 92.05 8.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 51.2 t80 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 -179.783 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.868 0.366 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.3 tp -117.59 141.91 47.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.962 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.54 106.22 18.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.069 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.415 ' HG ' ' CG1' ' A' ' 67' ' ' VAL . 82.5 mt -65.99 163.57 16.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -123.66 143.56 50.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -63.64 136.25 57.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 56.77 50.53 12.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -139.02 126.25 21.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -75.37 151.88 38.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -148.04 138.15 22.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.8 m -84.29 137.59 33.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 61.1 tp -87.88 101.34 13.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 88.1 mt -68.61 -66.94 0.51 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -135.59 132.26 36.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 60.6 p -106.84 29.69 6.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 26.1 t -41.66 -59.07 1.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.826 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.15 -179.04 6.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.4 mt -109.84 -53.87 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.119 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -74.14 -33.58 63.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 70.3 m95 -113.31 122.58 47.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 14.9 m0 -118.09 143.32 46.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -91.74 113.93 26.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 33.1 m -120.97 172.74 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -134.81 120.51 19.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.535 ' CG ' ' N ' ' A' ' 60' ' ' ARG . 0.6 OUTLIER -63.4 170.13 3.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.535 ' N ' ' CG ' ' A' ' 59' ' ' ASP . 25.7 tpt85 -63.8 -41.5 97.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -68.34 -49.6 59.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 144.32 33.28 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -107.21 116.88 32.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.724 0.297 . . . . 0.0 110.821 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -109.42 175.56 5.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 153.44 -175.17 31.93 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.526 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -94.38 131.42 40.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.945 0.402 . . . . 0.0 110.876 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.415 ' CG1' ' HG ' ' A' ' 38' ' ' LEU . 3.7 m -136.7 151.44 72.61 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.61 0.719 . . . . 0.0 111.134 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 105.04 1.42 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.677 2.251 . . . . 0.0 112.367 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 84.6 p -40.77 -30.17 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -49.06 -46.85 45.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.846 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.469 ' CE2' ' HB2' ' A' ' 26' ' ' TYR . 3.6 m-85 -68.35 -41.38 80.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.95 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 48.7 mt -68.54 143.19 55.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.942 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.0 m -142.93 134.13 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -64.61 119.34 10.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 81.1 tttt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.96 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.5 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.805 0.336 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -93.9 121.32 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.0 m -114.03 155.54 15.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 32.7 mt -121.57 145.03 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.171 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.74 148.05 24.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.422 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . 15.7 mt -94.93 -34.26 12.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.551 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 4.1 m-85 -131.17 149.46 52.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -72.72 92.61 1.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 65.3 t80 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.848 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.856 0.36 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.457 ' HG ' ' N ' ' A' ' 37' ' ' ALA . 23.7 tp -123.47 156.74 34.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.457 ' N ' ' HG ' ' A' ' 36' ' ' LEU . . . -102.78 102.84 13.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 41.2 mt -69.54 154.26 42.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -110.97 140.03 45.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 17.6 ttp180 -62.74 127.39 31.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 35.3 m-20 60.03 52.23 5.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.868 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -136.36 137.47 40.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.492 ' O ' ' CD1' ' A' ' 44' ' ' TYR . 74.3 mt-10 -79.96 157.62 26.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.492 ' CD1' ' O ' ' A' ' 43' ' ' GLU . 36.1 m-85 -150.11 150.87 32.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.893 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 50.9 t -94.92 120.55 35.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 25.4 tp -76.88 99.21 5.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.5 mt -67.52 -63.81 0.98 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -134.33 148.6 50.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 91.2 p -123.8 38.66 4.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.2 t -47.61 -52.73 16.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -94.48 -178.02 4.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 52.4 mt -112.85 -46.81 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -74.17 -31.57 62.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.82 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -119.98 117.21 27.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 9.3 m0 -110.69 146.91 35.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.9 ttt85 -101.59 113.13 25.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.0 m -125.44 170.89 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.163 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -123.75 115.88 22.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.49 168.89 1.01 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 47.4 ptt85 -64.18 -18.72 64.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -77.39 -40.28 44.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.86 -4.05 5.7 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.533 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -85.08 165.7 17.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.784 0.326 . . . . 0.0 110.843 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -140.13 176.03 9.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 165.86 170.3 30.6 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.485 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -85.0 106.87 16.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.872 0.368 . . . . 0.0 110.899 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.3 m -111.67 153.37 44.35 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.642 0.734 . . . . 0.0 111.078 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 115.53 4.14 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.712 2.274 . . . . 0.0 112.361 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 75.5 p -51.37 -34.48 34.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.6 p -49.6 -42.08 43.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.551 ' CE2' ' HB2' ' A' ' 26' ' ' TYR . 3.1 m-85 -70.32 -45.23 66.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.917 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 96.2 mt -69.58 138.44 53.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.2 m -131.51 145.24 35.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -71.4 110.72 6.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 35.0 tptt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 61.3 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.823 0.344 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.7 t -97.6 138.83 21.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.5 m -124.39 170.71 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 13.7 mt -135.64 145.1 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.099 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.67 125.36 35.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.043 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.1 mt -76.21 -28.45 57.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -135.16 155.53 50.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.442 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 7.8 p-10 -81.74 93.45 6.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.538 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 88.2 t80 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.937 0.398 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.9 tp -134.87 143.98 47.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -88.96 101.97 14.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.067 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.436 HD21 ' CZ ' ' A' ' 44' ' ' TYR . 11.8 mt -64.48 143.03 58.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.952 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -99.69 139.28 35.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.413 ' HB3' ' NH1' ' A' ' 40' ' ' ARG . 10.8 ttp-105 -63.47 147.42 51.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.1 p30 42.15 49.54 4.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -135.2 140.6 45.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.466 ' O ' ' CD2' ' A' ' 44' ' ' TYR . 35.1 mt-10 -77.82 162.89 26.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.466 ' CD2' ' O ' ' A' ' 43' ' ' GLU . 59.2 m-85 -158.18 127.95 5.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.967 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 21.4 t -81.37 119.17 23.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 23.6 tp -70.65 126.02 28.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 63.9 mt -93.16 -58.21 2.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.43 147.97 37.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.3 p -123.79 33.62 5.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.2 t -52.59 -37.64 58.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -100.95 178.6 4.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 65.6 mt -110.43 -60.41 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.184 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -63.56 -46.77 84.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 67.9 m95 -103.34 112.82 25.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 11.8 m0 -105.55 141.4 37.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.922 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 38.5 ttt-85 -94.27 123.7 37.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.5 m -139.92 173.32 10.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -131.21 135.21 47.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -78.28 171.68 14.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.0 -30.37 67.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -71.12 -42.22 69.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 133.56 28.16 0.53 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.512 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.457 ' CD2' ' N ' ' A' ' 63' ' ' HIS . 2.9 m170 -107.89 167.28 10.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.764 0.316 . . . . 0.0 110.831 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -162.74 168.8 20.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 162.24 170.52 27.14 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.469 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -75.99 115.4 15.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.94 0.4 . . . . 0.0 110.939 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.6 m -126.15 153.88 74.26 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.584 0.707 . . . . 0.0 111.136 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 112.49 3.09 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.709 2.273 . . . . 0.0 112.352 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.9 p -48.09 -23.48 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.6 m -55.64 -43.24 76.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.538 ' CE2' ' HB2' ' A' ' 28' ' ' TYR . 3.1 m-85 -68.96 -43.64 74.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 98.6 mt -67.71 149.1 50.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.0 m -148.47 135.02 12.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.161 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -65.0 119.24 10.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.1 tptp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.951 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.7 m . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 120.862 0.363 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.443 ' CG1' ' HB3' ' A' ' 43' ' ' GLU . 93.2 t -97.1 122.61 48.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.152 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.7 m -110.71 164.07 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 15.8 mt -128.33 148.56 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.97 129.8 40.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.103 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.4 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . 8.7 mt -77.49 -38.77 48.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.4 ' CD1' ' HB2' ' A' ' 25' ' ' LEU . 1.3 m-85 -127.84 158.77 36.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -79.59 104.24 10.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.924 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 33.8 t80 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.816 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.908 0.385 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.8 tp -113.07 145.96 39.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.77 100.31 12.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 79.8 mt -62.08 157.31 19.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.936 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -116.4 134.17 55.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.5 ttp180 -59.93 130.62 47.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.7 m120 63.28 53.69 2.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -146.64 128.54 15.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.57 ' O ' ' CD1' ' A' ' 44' ' ' TYR . 4.7 mp0 -74.4 166.71 23.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.57 ' CD1' ' O ' ' A' ' 43' ' ' GLU . 71.9 m-85 -156.89 138.4 13.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.959 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 2.4 t -86.43 112.64 21.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 48.6 tp -61.86 134.26 56.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 98.0 mt -102.34 -63.97 1.11 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -137.41 148.24 46.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.9 p -122.3 46.38 2.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.4 t -62.78 -49.3 75.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.854 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -92.29 165.81 12.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 37.1 mt -94.85 -57.46 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 46.4 m-70 -68.89 -37.4 78.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 75.3 m95 -107.52 124.79 50.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -117.76 140.54 49.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -93.67 111.53 23.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.4 m -130.38 169.14 21.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -124.46 151.09 44.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.458 ' CG ' ' N ' ' A' ' 60' ' ' ARG . 3.7 t70 -90.12 167.23 12.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.458 ' N ' ' CG ' ' A' ' 59' ' ' ASP . 34.5 ttt180 -59.28 -38.02 79.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -70.51 -45.84 64.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 138.97 31.5 0.2 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.487 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -114.01 120.91 42.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.727 0.299 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -119.7 173.04 7.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 166.69 -161.59 35.34 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.488 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -102.21 123.69 46.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.891 0.376 . . . . 0.0 110.952 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.9 m -136.12 151.94 74.49 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.631 0.729 . . . . 0.0 111.122 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 113.87 3.51 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.72 2.28 . . . . 0.0 112.348 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 96.6 p -44.77 -36.27 3.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.869 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 73.4 m -43.91 -45.32 7.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.879 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -69.78 -42.65 73.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.931 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 89.2 mt -68.77 142.32 54.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.8 m -137.54 135.99 46.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.149 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -64.8 109.05 1.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.1 tttt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.913 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.2 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.817 0.341 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.1 t -90.12 132.58 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.14 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.6 m -126.54 144.5 36.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.455 HG23 ' N ' ' A' ' 24' ' ' ALA . 15.7 mt -113.56 144.79 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.455 ' N ' HG23 ' A' ' 23' ' ' ILE . . . -89.46 128.39 35.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.096 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.2 mt -71.39 -36.31 71.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.481 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 4.2 m-85 -126.38 177.19 6.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -96.63 108.49 21.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.9 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 90.7 t80 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.844 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.878 0.37 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.492 ' CD2' ' OD1' ' A' ' 59' ' ' ASP . 58.5 tp -101.22 149.95 23.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -98.98 122.93 42.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.1 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 46.9 mt -91.33 178.29 6.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -139.35 138.62 36.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -66.36 122.4 17.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 72.75 47.33 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -140.14 140.87 36.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.456 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 34.7 mt-10 -85.0 152.94 23.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.456 ' CD1' ' C ' ' A' ' 43' ' ' GLU . 60.5 m-85 -151.41 127.76 10.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 2.4 t -73.43 137.21 44.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 39.8 tp -88.14 108.64 19.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 70.2 mt -68.94 -69.23 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -129.29 160.65 32.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 90.5 p -128.47 34.18 4.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 64.4 p -47.07 -43.97 20.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.857 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -107.19 -177.32 3.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 85.9 mt -110.9 -55.89 4.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -68.95 -37.36 78.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 69.3 m95 -114.12 107.81 16.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -104.0 157.34 17.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 42.6 ttt180 -103.82 119.13 38.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.466 HG22 ' CD2' ' A' ' 36' ' ' LEU . 29.4 m -129.39 177.74 6.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -135.1 112.63 10.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.492 ' OD1' ' CD2' ' A' ' 36' ' ' LEU . 57.5 m-20 -58.75 148.6 29.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.87 -18.67 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -78.8 -49.31 13.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 135.53 29.55 0.37 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.493 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.422 ' O ' ' CD1' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -119.7 123.49 43.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.771 0.319 . . . . 0.0 110.862 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -105.87 169.09 8.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 168.49 -164.95 38.47 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -107.06 124.02 49.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.906 0.384 . . . . 0.0 110.97 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.6 m -130.76 154.28 81.8 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.602 0.715 . . . . 0.0 111.165 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 109.54 2.34 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.656 2.238 . . . . 0.0 112.311 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.4 p -43.59 -33.82 1.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 40.1 t -44.69 -52.61 8.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.85 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.481 ' CE2' ' HB2' ' A' ' 26' ' ' TYR . 3.4 m-85 -61.07 -44.71 96.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.38 150.68 47.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.0 m -148.6 131.84 7.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -67.17 111.94 4.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.5 tptt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.8 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.794 0.33 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.0 t -105.31 130.31 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.13 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 28.8 m -118.47 164.23 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.191 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.3 mt -134.52 142.1 41.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.84 128.57 35.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.4 mt -72.69 -36.06 67.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -124.97 152.54 44.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.957 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -77.52 94.96 4.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 41.6 t80 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.826 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.883 0.373 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.3 tp -118.32 147.46 43.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.68 103.21 13.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.427 HD21 ' CE2' ' A' ' 44' ' ' TYR . 41.5 mt -75.0 150.21 39.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.466 ' HD3' ' N ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -107.01 147.55 29.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.466 ' N ' ' HD3' ' A' ' 39' ' ' ARG . 41.9 ttt180 -62.2 140.94 58.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 38.72 50.39 1.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.56 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 13.5 tp10 -122.98 146.34 47.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -82.24 151.29 26.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.56 ' CE2' ' HG3' ' A' ' 42' ' ' GLU . 58.8 m-85 -152.04 129.22 11.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 2.4 p -83.08 117.91 23.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 48.5 tp -69.04 130.56 43.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 71.4 mt -96.84 -60.61 1.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -149.74 126.78 11.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.804 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.6 m -105.76 37.31 2.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 m -42.6 -41.42 3.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -97.64 -177.04 3.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 72.4 mt -109.39 -52.25 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.105 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -72.25 -38.85 68.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 52.7 m95 -109.06 115.27 29.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 8.7 m0 -110.9 131.0 55.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.952 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.0 ttp180 -82.31 116.56 21.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.843 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 19.2 m -127.54 172.69 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -137.68 138.85 39.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -78.29 162.23 26.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -59.27 -28.37 66.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -79.7 -50.25 10.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 145.93 34.5 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.518 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -109.81 119.14 38.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -110.81 179.32 4.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 147.78 167.66 13.54 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.469 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -85.57 136.51 33.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.899 0.381 . . . . 0.0 110.929 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.4 m -144.72 155.3 56.37 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.599 0.714 . . . . 0.0 111.15 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 109.82 2.4 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.5 p -42.64 -37.32 1.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.787 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.3 p -41.66 -44.2 3.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -68.96 -45.17 71.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 66.9 mt -68.75 148.89 49.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.4 m -145.04 133.35 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -63.98 110.24 2.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.5 tttp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.969 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 50.5 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.818 0.342 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.467 ' CG1' ' HB3' ' A' ' 43' ' ' GLU . 63.9 t -84.64 120.79 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.8 m -113.68 152.76 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.42 HD13 ' N ' ' A' ' 23' ' ' ILE . 2.8 mp -118.8 144.77 26.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.47 133.26 35.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.4 mt -80.92 -31.06 35.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -136.99 157.06 47.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -78.14 107.14 10.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 53.7 t80 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 -179.817 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.893 0.378 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.454 ' HG ' ' N ' ' A' ' 37' ' ' ALA . 6.2 tp -101.78 150.01 23.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.454 ' N ' ' HG ' ' A' ' 36' ' ' LEU . . . -98.09 103.51 15.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.084 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.479 HD23 ' CZ ' ' A' ' 44' ' ' TYR . 37.0 mt -64.87 162.36 16.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.909 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.8 tpp180 -119.62 144.5 47.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.6 ttp85 -67.79 133.67 49.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 60.31 51.25 5.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -140.03 143.25 36.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.502 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 17.6 mp0 -92.74 157.18 16.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.502 ' CD1' ' C ' ' A' ' 43' ' ' GLU . 26.7 m-85 -148.31 147.22 29.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.943 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 53.9 t -89.96 119.19 30.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 57.9 tp -72.14 119.5 16.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.5 mt -92.9 -66.5 0.92 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -132.7 119.64 20.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.815 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 88.7 p -101.85 29.18 5.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 55.6 m -40.47 -57.73 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -81.55 -179.2 7.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.8 mt -112.42 -49.23 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -77.9 -32.23 51.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 80.8 m95 -116.07 108.07 15.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 14.6 m0 -104.91 144.01 32.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 45.6 ttt180 -100.4 113.37 26.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 18.0 m -131.81 166.91 27.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.096 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -119.14 127.9 53.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.28 -179.05 2.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 32.5 ptt180 -72.5 -23.69 61.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -71.6 -40.95 69.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 126.82 9.37 4.34 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.518 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -98.93 169.06 9.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.77 0.319 . . . . 0.0 110.884 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -142.93 173.02 11.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 168.13 154.84 9.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.509 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -70.48 100.93 1.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 0.0 110.931 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.405 ' CG1' ' HG ' ' A' ' 38' ' ' LEU . 3.3 m -105.47 150.72 39.31 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.614 0.721 . . . . 0.0 111.117 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 104.1 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.653 2.236 . . . . 0.0 112.337 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 70' ' ' SER . 60.8 p -39.57 -45.62 1.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 69' ' ' SER . 37.5 m -36.38 -48.29 0.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -64.69 -45.87 84.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.953 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 65.0 mt -69.93 140.87 53.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.9 m -132.46 137.17 54.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.14 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -67.6 111.31 4.11 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 21.4 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.816 0.341 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 88.0 t -118.1 124.91 73.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.084 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.5 m -115.65 166.77 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.7 mp -132.52 145.86 33.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.143 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.57 109.72 21.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.1 mt -55.32 -41.27 72.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -125.88 160.63 29.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -81.01 102.76 10.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.858 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 85.7 t80 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.913 -179.786 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.897 0.38 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.424 ' HG ' ' N ' ' A' ' 37' ' ' ALA . 12.4 tp -138.67 151.71 47.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.424 ' N ' ' HG ' ' A' ' 36' ' ' LEU . . . -103.01 109.43 20.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.1 mt -79.0 157.84 28.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.943 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.9 ttt85 -111.65 142.68 43.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.411 ' NH1' ' HB2' ' A' ' 40' ' ' ARG . 22.1 ttm105 -67.33 127.38 32.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 71.36 38.35 1.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -128.76 138.63 52.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -90.36 153.3 20.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.455 ' CD2' ' HA ' ' A' ' 59' ' ' ASP . 57.1 m-85 -143.52 163.45 33.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 2.7 t -105.41 116.08 31.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.8 tp -67.23 106.84 2.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 27.3 mt -70.03 -62.46 1.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -145.32 147.75 32.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 45.5 p -112.5 31.33 6.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.1 t -38.92 -47.08 1.39 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -104.45 -179.11 3.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 81.6 mt -108.5 -56.42 4.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.127 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -66.52 -28.42 68.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -121.72 123.97 43.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 19.7 m0 -117.36 148.39 41.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 60.1 ttt180 -98.07 126.32 43.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.3 m -135.41 172.44 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -135.27 108.68 7.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.455 ' HA ' ' CD2' ' A' ' 44' ' ' TYR . 29.5 t70 -47.54 168.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -65.49 -34.38 78.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -73.19 -50.12 24.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 144.67 37.13 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.2 m170 -111.25 120.81 43.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.794 0.331 . . . . 0.0 110.842 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -108.63 169.03 8.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 159.95 -175.67 36.75 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.528 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -101.08 122.95 44.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.927 0.394 . . . . 0.0 110.913 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 6.6 m -128.01 153.75 78.4 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.646 0.736 . . . . 0.0 111.138 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 112.12 2.98 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.708 2.272 . . . . 0.0 112.366 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 81.8 p -44.83 -34.25 2.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 31.8 m -45.59 -40.25 8.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.848 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -73.44 -43.2 60.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.989 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 92.2 mt -70.67 142.49 51.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.1 m -141.12 134.77 31.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.128 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -64.7 114.92 4.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.2 tptp . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 179.97 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.3 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.815 0.34 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.429 HG12 ' N ' ' A' ' 22' ' ' VAL . 75.7 t -99.84 144.06 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.127 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.429 ' N ' HG12 ' A' ' 21' ' ' VAL . 4.3 m -138.7 139.29 41.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.099 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.432 HG22 ' N ' ' A' ' 24' ' ' ALA . 3.2 mp -104.12 146.0 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.432 ' N ' HG22 ' A' ' 23' ' ' ILE . . . -89.57 124.83 34.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.078 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.3 mt -67.45 -33.31 74.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.964 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -132.06 171.7 13.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.47 71.9 3.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.859 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 26.7 t80 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -179.829 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.891 0.377 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.458 ' HG ' ' N ' ' A' ' 37' ' ' ALA . 6.0 tp -108.49 152.17 25.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.458 ' N ' ' HG ' ' A' ' 36' ' ' LEU . . . -93.52 100.42 12.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.134 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 36.1 mt -61.59 162.52 8.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.427 ' HG3' ' N ' ' A' ' 40' ' ' ARG . 15.2 tpt180 -123.01 145.29 48.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.427 ' N ' ' HG3' ' A' ' 39' ' ' ARG . 32.7 ttt180 -65.1 129.63 40.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 63.17 41.89 7.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -128.77 130.95 47.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -82.2 158.93 23.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.418 ' CE2' ' OD1' ' A' ' 59' ' ' ASP . 75.8 m-85 -151.8 129.09 11.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.7 p -72.75 131.06 41.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 48.7 tp -78.74 105.79 10.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 43.5 mt -76.71 -69.14 0.53 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.873 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -137.26 130.34 30.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 83.0 p -106.93 31.84 5.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.835 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.2 t -43.47 -48.49 7.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -88.95 179.48 6.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 69.6 mt -109.49 -53.71 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.137 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -76.03 -26.97 57.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 59.5 m95 -117.58 122.03 42.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 20.0 m0 -117.97 143.93 45.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.94 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 -96.2 118.53 32.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.7 m -133.93 166.31 29.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.165 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -119.91 140.54 50.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.418 ' OD1' ' CE2' ' A' ' 44' ' ' TYR . 13.9 t70 -77.01 166.22 23.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -71.53 -4.45 26.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 55.5 m-20 -109.04 -37.85 5.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 135.6 42.38 0.12 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.508 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -123.32 119.48 30.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.708 0.29 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -111.04 169.28 8.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 158.49 162.64 12.03 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.533 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -81.85 117.26 21.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.915 0.388 . . . . 0.0 110.932 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -121.47 157.1 57.25 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.626 0.727 . . . . 0.0 111.144 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 69' ' ' SER . 54.0 Cg_endo -69.76 102.28 1.01 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.669 2.246 . . . . 0.0 112.376 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 68' ' ' PRO . 96.1 p -36.88 -34.75 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 35.7 m -44.34 -50.05 9.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -64.67 -45.14 87.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 92.8 mt -69.51 131.89 45.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.947 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.1 m -122.23 135.17 63.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -50.82 110.85 0.46 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.418 ' CB ' HD12 ' A' ' 23' ' ' ILE . 8.2 tmtm? . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.0 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.842 0.353 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.433 ' CG1' ' HB3' ' A' ' 43' ' ' GLU . 64.6 t -114.86 135.18 55.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.7 m -116.99 168.43 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.424 HG22 ' N ' ' A' ' 24' ' ' ALA . 3.4 mp -131.5 145.3 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.424 ' N ' HG22 ' A' ' 23' ' ' ILE . . . -88.62 128.45 35.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.082 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.7 mt -77.04 -40.8 45.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -130.24 162.25 29.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -77.58 113.7 15.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.872 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 80.3 t80 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.829 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.9 mp0 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.896 0.379 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.2 tp -95.59 145.41 25.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -92.73 104.05 16.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.12 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.43 ' HG ' ' CG1' ' A' ' 67' ' ' VAL . 83.7 mt -58.47 171.44 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.33 136.65 45.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 30.6 ttt-85 -60.96 129.92 43.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 61.73 52.66 3.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -145.37 130.16 18.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.433 ' HB3' ' CG1' ' A' ' 21' ' ' VAL . 4.3 mp0 -78.38 162.39 26.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.404 ' CD1' ' O ' ' A' ' 43' ' ' GLU . 71.2 m-85 -152.45 127.71 9.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 4.9 m -73.64 121.38 20.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.831 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 35.4 tp -69.38 122.48 19.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 93.6 mt -91.15 -52.52 4.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.915 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -168.14 120.49 0.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 50' ' ' SER . 2.0 m -86.03 36.08 0.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 49' ' ' SER . 54.5 m -36.32 -45.14 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -100.3 165.42 11.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.3 mp -83.4 -70.93 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -62.24 -42.57 99.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.2 m95 -96.7 118.75 33.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.411 ' CE2' ' OG ' ' A' ' 49' ' ' SER . 11.1 m0 -113.64 138.69 49.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 19.1 ttp180 -86.27 122.78 30.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.5 m -142.99 164.61 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -126.36 141.39 51.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -75.49 171.33 14.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 32.9 ttt85 -67.34 -36.52 81.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -71.68 -52.4 18.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 149.13 36.17 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.504 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -118.52 111.22 18.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.753 0.311 . . . . 0.0 110.86 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.13 174.94 5.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 160.96 -168.17 36.21 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -98.45 112.98 24.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.96 0.409 . . . . 0.0 110.881 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.43 ' CG1' ' HG ' ' A' ' 38' ' ' LEU . 12.7 m -121.5 153.76 59.31 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.647 0.737 . . . . 0.0 111.108 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 105.32 1.46 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.698 2.265 . . . . 0.0 112.359 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 72' ' ' LEU . 91.2 p -38.67 -46.28 1.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 69' ' ' SER . 60.9 p -35.75 -50.71 0.65 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -62.76 -40.52 97.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.916 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 69' ' ' SER . 84.3 mt -71.83 143.59 49.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.956 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 10.5 m -132.18 141.18 46.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.175 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -72.1 104.21 3.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.4 ttpt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.947 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.4 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.828 0.347 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.437 HG13 ' N ' ' A' ' 22' ' ' VAL . 78.8 t -101.4 135.48 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.437 ' N ' HG13 ' A' ' 21' ' ' VAL . 1.8 m -129.37 153.87 39.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.111 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 17.2 mt -122.96 144.36 32.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.077 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.46 132.27 33.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.091 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.5 mt -79.47 -32.29 42.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.553 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 0.7 OUTLIER -133.07 156.88 46.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -76.9 95.31 4.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.821 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 86.6 t80 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.866 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.926 0.393 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.407 ' HG ' ' N ' ' A' ' 37' ' ' ALA . 9.9 tp -118.43 149.91 40.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.407 ' N ' ' HG ' ' A' ' 36' ' ' LEU . . . -95.47 128.7 42.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 42.7 mt -96.09 167.1 11.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.435 ' HB3' ' CG ' ' A' ' 42' ' ' GLU . 11.2 ttp180 -122.51 150.8 42.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.2 ttp180 -72.14 124.98 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 41' ' ' ASN . 1.0 OUTLIER 66.93 46.37 1.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.908 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.435 ' CG ' ' HB3' ' A' ' 39' ' ' ARG . 26.2 mm-40 -132.05 133.37 44.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.404 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 36.5 mt-10 -83.0 155.14 24.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.404 ' CD1' ' C ' ' A' ' 43' ' ' GLU . 62.1 m-85 -148.91 144.67 27.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.943 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 49.7 t -89.88 124.57 34.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 26.1 tp -75.63 118.48 18.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 50.3 mt -82.87 -56.03 4.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -145.63 143.18 29.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 98.3 p -115.03 36.37 3.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.1 t -48.17 -55.17 11.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.82 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -88.55 171.7 9.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 27.9 mt -101.03 -55.5 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.143 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -70.66 -32.83 70.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -113.7 125.72 54.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 15.3 m0 -119.68 143.27 47.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.7 ttt180 -97.19 105.92 18.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.417 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 11.9 m -119.98 167.4 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -123.74 141.09 52.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -83.5 163.91 20.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -60.18 -28.03 67.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -77.69 -48.31 17.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 139.8 34.7 0.14 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.522 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -121.34 129.74 53.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.728 0.299 . . . . 0.0 110.845 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.417 ' CB ' ' O ' ' A' ' 57' ' ' VAL . 0.7 OUTLIER -127.49 179.27 5.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 161.3 -175.65 37.9 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -90.79 105.06 17.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.956 0.407 . . . . 0.0 110.887 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.0 m -112.8 153.26 45.18 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.651 0.739 . . . . 0.0 111.13 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 106.5 1.68 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.616 2.21 . . . . 0.0 112.336 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.2 p -39.24 -35.09 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.832 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 61.3 m -44.36 -45.8 9.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.553 ' CE2' ' HB2' ' A' ' 26' ' ' TYR . 3.3 m-85 -69.98 -42.67 72.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.972 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 65.9 mt -70.48 141.27 52.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 1.9 m -138.45 132.18 41.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -65.77 108.77 2.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.2 tptp . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.958 179.919 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 87.6 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.778 0.323 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.1 t -98.14 121.69 48.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.173 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 44' ' ' TYR . 3.6 m -116.73 146.91 20.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.8 mp -109.76 151.87 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -98.8 118.79 36.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.9 mt -64.36 -35.18 80.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.488 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 3.0 m-85 -131.73 164.94 24.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -87.27 98.4 11.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.852 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 66.3 t80 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.834 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.953 0.406 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.4 ' HG ' ' N ' ' A' ' 37' ' ' ALA . 5.6 tp -105.51 147.07 28.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.929 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.4 ' N ' ' HG ' ' A' ' 36' ' ' LEU . . . -94.32 102.77 14.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.074 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.7 mt -71.43 144.92 49.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -102.26 145.2 29.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.818 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -68.54 137.4 54.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 56.42 51.86 10.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -142.36 133.45 25.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.429 ' O ' ' CD1' ' A' ' 44' ' ' TYR . 19.0 mt-10 -76.85 159.66 29.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.461 ' CD2' ' HA ' ' A' ' 59' ' ' ASP . 79.0 m-85 -156.49 125.49 6.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.5 p -70.68 136.57 49.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.838 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 68.3 tp -82.81 118.38 23.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 97.1 mt -85.04 -60.88 1.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -152.34 132.74 13.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.82 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 50' ' ' SER . 95.2 p -101.99 30.31 4.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 49' ' ' SER . 24.0 p -34.83 -45.7 0.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -100.73 165.28 11.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 39.8 mt -89.72 -53.72 8.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 -72.3 -47.23 51.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.843 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 67.1 m95 -96.88 122.54 39.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 10.1 m0 -116.76 140.5 49.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -91.34 118.3 30.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.0 m -128.14 171.98 15.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -128.22 137.4 52.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.461 ' HA ' ' CD2' ' A' ' 44' ' ' TYR . 27.4 t0 -80.81 167.88 19.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.7 tpt85 -53.2 -39.55 63.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -80.15 -36.37 35.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 141.23 -7.78 2.62 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.513 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -58.87 113.01 1.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.764 0.316 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.13 166.36 14.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 167.43 -161.66 35.47 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.51 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -102.07 128.6 48.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.88 0.371 . . . . 0.0 110.94 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.2 m -141.38 153.48 66.02 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.621 0.724 . . . . 0.0 111.155 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 112.57 3.13 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.663 2.242 . . . . 0.0 112.324 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 82.7 p -43.69 -38.55 3.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.6 m -40.61 -46.73 2.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.488 ' CE2' ' HB2' ' A' ' 26' ' ' TYR . 4.7 m-85 -66.57 -41.83 87.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 83.2 mt -69.33 146.75 51.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.0 m -147.04 132.66 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.135 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -65.36 116.18 6.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.6 tptp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 179.984 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 92.8 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.889 0.376 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.7 t -107.49 132.01 56.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.9 m -114.38 171.47 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.9 mt -134.54 147.59 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.43 139.97 30.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.105 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.2 mt -90.59 -31.0 16.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.454 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 2.8 m-85 -132.77 151.76 51.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.33 93.4 2.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.858 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 53.5 t80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.828 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.878 0.37 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.8 tp -132.94 151.75 52.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.1 103.97 15.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 85.4 mt -70.24 169.42 13.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.2 tpp85 -133.36 136.29 45.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.492 ' O ' ' ND2' ' A' ' 41' ' ' ASN . 35.0 ttt180 -62.68 147.6 49.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 40' ' ' ARG . 8.6 p30 46.61 51.86 11.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -142.57 142.86 32.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.591 ' O ' ' CD1' ' A' ' 44' ' ' TYR . 38.6 mt-10 -83.86 158.95 21.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.591 ' CD1' ' O ' ' A' ' 43' ' ' GLU . 49.4 m-85 -155.04 132.46 11.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 8.9 t -81.78 129.71 34.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 61.9 tp -82.44 115.65 21.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.9 mt -79.52 -59.1 2.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -157.01 149.71 23.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.826 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 50' ' ' SER . 87.0 p -107.62 45.35 1.01 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 49' ' ' SER . 1.8 t -35.93 -39.86 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -123.24 -179.65 4.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 54.7 mt -93.52 -57.53 4.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.16 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -67.08 -43.72 81.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -98.43 124.83 43.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 12.4 m0 -117.4 138.88 51.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.9 ttm-85 -91.78 109.31 20.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.458 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 30.8 m -119.8 171.35 8.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.133 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -130.27 119.26 22.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.434 ' OD1' ' C ' ' A' ' 63' ' ' HIS . 0.3 OUTLIER -64.03 172.95 2.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 36.2 ptt85 -68.1 -23.99 64.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 28.4 m-20 -73.74 -36.2 65.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.72 -9.93 5.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.491 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.434 ' C ' ' OD1' ' A' ' 59' ' ' ASP . 2.3 m170 -78.39 179.27 7.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.754 0.311 . . . . 0.0 110.845 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.458 ' CB ' ' O ' ' A' ' 57' ' ' VAL . 0.7 OUTLIER -162.91 -177.58 5.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 -179.875 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 164.68 170.54 29.77 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.461 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -85.31 107.58 17.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.908 0.385 . . . . 0.0 110.941 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.2 m -115.26 156.01 46.15 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.586 0.708 . . . . 0.0 111.172 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.491 ' HG2' ' CD1' ' A' ' 71' ' ' TYR . 53.6 Cg_endo -69.82 108.98 2.21 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.712 2.275 . . . . 0.0 112.315 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 64.4 p -42.72 -25.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.5 m -54.27 -43.62 71.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.491 ' CD1' ' HG2' ' A' ' 68' ' ' PRO . 5.4 m-85 -68.37 -45.43 72.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.434 HD13 ' CG1' ' A' ' 57' ' ' VAL . 93.2 mt -72.57 138.87 47.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.908 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.1 m -134.69 131.88 53.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -61.15 107.01 0.67 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.3 tttp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.954 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -151.64 147.58 26.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.897 0.38 . . . . 0.0 110.869 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.7 m -72.02 176.61 4.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.94 -64.49 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.489 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -106.19 -46.5 4.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.894 0.378 . . . . 0.0 110.852 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.9 m -134.85 133.32 39.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.868 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.64 14.6 56.3 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.465 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -118.02 106.95 13.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.875 0.369 . . . . 0.0 110.916 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -76.17 104.63 6.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.406 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 31.9 t30 -116.11 47.04 1.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 -77.47 90.39 3.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.4 mtt180 -80.58 153.1 73.34 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.586 0.708 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 176.92 6.14 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.73 2.287 . . . . 0.0 112.288 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.457 ' N ' HD23 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -108.27 -52.53 2.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.955 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -62.52 -179.0 0.22 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -111.9 146.01 33.91 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.61 0.719 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -6.75 19.32 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.671 2.247 . . . . 0.0 112.379 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -92.02 -43.23 9.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -75.49 145.89 41.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.3 m -74.87 113.95 12.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 64.9 t -113.13 120.33 62.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -111.12 163.26 8.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.2 mp -132.12 148.23 32.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.101 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.8 126.27 38.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.4 mt -71.55 -31.08 66.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -137.93 160.32 39.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.97 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -80.8 97.69 7.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -76.63 145.24 38.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -136.21 147.8 47.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.955 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.24 162.74 39.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.147 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -110.54 15.77 21.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.28 144.02 30.9 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.61 0.719 . . . . 0.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -37.7 8.82 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.694 2.263 . . . . 0.0 112.346 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -64.22 -23.77 67.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -96.6 152.89 18.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tp -118.56 142.46 47.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.954 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.05 110.13 20.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.6 mt -75.12 161.92 28.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.5 tpp180 -119.17 136.77 54.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.0 ttp85 -64.25 126.83 29.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 71.39 40.25 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -134.34 128.93 34.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.532 ' O ' ' CD1' ' A' ' 44' ' ' TYR . 14.1 mp0 -78.39 162.51 26.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.532 ' CD1' ' O ' ' A' ' 43' ' ' GLU . 58.1 m-85 -154.35 138.48 16.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 4.0 t -77.53 121.61 24.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.471 HD13 ' CZ3' ' A' ' 55' ' ' TRP . 2.5 tt -75.0 108.36 7.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 95.2 mt -72.65 -58.55 3.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -157.91 134.58 9.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 50' ' ' SER . 58.8 p -98.49 33.4 2.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 49' ' ' SER . 41.1 t -37.47 -53.39 1.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -92.04 179.95 5.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 46.9 mt -107.43 -57.32 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.116 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -69.64 -29.27 66.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.83 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 73.1 m95 -120.54 123.33 42.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.471 ' CZ3' HD13 ' A' ' 46' ' ' LEU . 12.6 m0 -115.22 139.8 49.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.934 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.4 ttt85 -89.42 112.87 24.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.6 m -128.27 173.2 13.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -133.74 141.28 47.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 60' ' ' ARG . 13.3 t70 -77.75 174.11 11.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.47 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 14.5 ptt180 -72.24 -21.17 61.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -89.8 -40.54 12.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 135.58 42.56 0.12 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.507 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -119.77 111.08 17.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.748 0.308 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -109.16 168.06 9.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 161.96 -173.73 38.33 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.427 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -93.47 127.05 38.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.915 0.388 . . . . 0.0 110.903 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.2 m -133.63 154.3 80.61 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.688 0.756 . . . . 0.0 111.091 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 104.21 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.32 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.5 p -40.63 -30.51 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.1 t -51.64 -46.44 63.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.843 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -66.66 -41.61 87.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.954 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 42.1 mt -68.7 143.32 54.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.93 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.1 m -138.37 144.63 29.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -75.82 115.48 15.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 76' ' ' SER . 27.7 tptt -42.1 102.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 75' ' ' LYS . 65.3 m -35.24 144.26 0.23 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.64 0.733 . . . . 0.0 110.895 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 154.85 67.38 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.698 2.265 . . . . 0.0 112.331 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -157.88 136.77 11.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.7 p30 39.02 46.22 1.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.423 ' CD1' ' OG1' ' A' ' 82' ' ' THR . 0.1 OUTLIER -130.44 112.62 13.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -99.01 82.23 2.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.423 ' OG1' ' CD1' ' A' ' 80' ' ' LEU . 13.5 m -143.12 143.52 31.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.169 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . 0.405 ' N ' HG23 ' A' ' 82' ' ' THR . 6.2 m-85 -121.62 128.24 51.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -92.73 86.99 5.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.922 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 23.4 t90 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.5 t -154.98 127.32 7.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.906 0.384 . . . . 0.0 110.86 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -124.16 144.02 50.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.54 57.91 0.11 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.48 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 m -92.32 121.0 33.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.858 0.361 . . . . 0.0 110.905 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.9 p -110.53 108.57 18.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.33 -55.0 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 46.91 41.02 10.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.801 0.334 . . . . 0.0 110.848 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -126.61 110.58 13.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -48.65 -57.31 6.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -166.87 142.51 4.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.458 ' CZ ' ' HB2' ' A' ' 12' ' ' ARG . 26.1 mtm105 -137.68 145.3 48.19 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.612 0.72 . . . . 0.0 110.839 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 156.33 63.41 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.697 2.265 . . . . 0.0 112.314 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.0 mt -85.74 -48.73 8.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.5 m95 -101.65 177.34 4.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -109.23 154.56 42.05 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.696 0.76 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -24.96 29.19 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.706 2.27 . . . . 0.0 112.363 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -65.6 -42.12 92.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.76 136.97 34.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.2 m -75.11 104.13 5.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.15 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.6 t -99.27 123.74 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -110.9 175.63 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.6 mt -143.77 142.45 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.172 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.37 131.51 34.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.075 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.5 mt -77.0 -34.68 57.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.451 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 1.8 m-85 -132.37 163.31 28.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -82.56 103.51 12.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.855 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -82.84 146.15 29.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.954 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -140.42 123.78 16.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.0 t -130.16 147.44 51.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.13 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 44.1 m-20 -90.05 -26.8 20.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.42 ' CG ' ' HD2' ' A' ' 33' ' ' PRO . 1.5 t70 -62.57 141.13 96.86 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.592 0.71 . . . . 0.0 110.88 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.42 ' HD2' ' CG ' ' A' ' 32' ' ' ASP . 53.6 Cg_endo -69.74 -36.38 10.97 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.7 2.267 . . . . 0.0 112.35 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -69.21 -39.74 78.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -74.53 147.66 41.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.2 tp -110.58 142.08 42.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -95.35 106.32 18.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.078 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.2 mt -67.72 -176.31 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -143.72 144.66 31.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -62.63 129.04 38.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 62.54 53.54 2.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -139.55 122.73 16.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.407 ' O ' ' CD1' ' A' ' 44' ' ' TYR . 2.5 mp0 -73.9 160.65 31.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.407 ' CD1' ' O ' ' A' ' 43' ' ' GLU . 74.0 m-85 -153.42 132.79 12.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.972 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 32.3 t -79.3 106.54 11.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.3 tp -60.68 126.06 26.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.6 mt -93.83 -64.61 1.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -143.86 146.2 32.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 57.1 p -116.58 45.77 1.75 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.2 p -44.64 -35.44 2.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.434 ' O ' ' CD1' ' A' ' 55' ' ' TRP . 49.9 mt-10 -118.8 176.9 5.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.867 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.2 mt -97.18 -53.34 8.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -70.83 -40.3 72.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 79.4 m95 -106.42 117.89 35.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.455 ' CD2' ' HB2' ' A' ' 69' ' ' SER . 19.8 m0 -116.75 135.83 53.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -89.9 113.62 25.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.412 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 2.9 m -128.57 177.65 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.107 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -136.39 142.19 43.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -83.93 162.04 20.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -60.42 -28.84 68.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 29.6 m-20 -77.16 -38.66 51.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 129.6 30.57 0.64 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.48 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.468 ' CD2' ' N ' ' A' ' 63' ' ' HIS . 0.6 OUTLIER -115.49 120.25 38.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.786 0.327 . . . . 0.0 110.885 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.412 ' CB ' ' O ' ' A' ' 57' ' ' VAL . 0.1 OUTLIER -120.42 179.1 4.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 160.2 -171.43 36.46 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.486 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -94.18 105.22 17.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.877 0.37 . . . . 0.0 110.962 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.3 m -116.36 152.79 48.45 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.623 0.725 . . . . 0.0 111.126 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 108.04 1.99 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.69 2.26 . . . . 0.0 112.409 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.455 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 1.8 t -44.98 -30.6 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 m -47.03 -51.38 17.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.451 ' CE2' ' HB2' ' A' ' 26' ' ' TYR . 3.1 m-85 -63.72 -39.51 94.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.406 ' C ' HG12 ' A' ' 73' ' ' VAL . 59.9 mt -68.81 141.5 55.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.963 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.406 HG12 ' C ' ' A' ' 72' ' ' LEU . 3.8 m -134.79 142.01 41.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -73.21 109.2 6.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -48.05 115.55 1.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.1 m -71.05 160.95 80.89 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.659 0.742 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 1.09 4.69 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.709 2.273 . . . . 0.0 112.339 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 29.7 p30 -51.81 176.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -54.67 150.84 8.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.6 mp -94.59 83.2 4.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.971 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -73.63 87.82 1.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 73.1 p -114.96 125.78 54.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -105.62 41.53 1.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -97.1 88.92 4.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 13.2 p-90 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.947 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m 40.49 49.54 2.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.9 0.381 . . . . 0.0 110.831 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.8 p -138.52 135.19 34.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.868 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.37 166.44 35.17 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.482 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 t -130.31 123.02 29.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.878 0.37 . . . . 0.0 110.836 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.8 m -152.17 115.77 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.402 ' C ' ' HG2' ' A' ' 8' ' ' GLU . . . 122.94 78.57 0.43 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.499 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.402 ' HG2' ' C ' ' A' ' 7' ' ' GLY . 15.2 mm-40 -150.56 160.46 43.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.836 0.35 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.446 ' OD1' ' C ' ' A' ' 9' ' ' ASP . 0.3 OUTLIER -133.36 152.21 51.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -77.08 92.82 3.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.4 ttp-105 -73.47 140.76 46.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 63.2 mtm180 -147.45 146.0 23.48 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.638 0.733 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 147.19 61.96 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.662 2.242 . . . . 0.0 112.353 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 mp -82.19 -57.88 3.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -91.66 -178.17 4.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -115.42 151.25 45.78 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.638 0.732 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -2.5 10.31 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.665 2.244 . . . . 0.0 112.345 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -92.46 -43.42 9.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.851 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -79.49 117.83 20.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.2 m -53.45 102.94 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.168 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 74.0 t -104.24 134.61 45.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.4 m -121.45 159.7 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.41 ' CD1' ' HA ' ' A' ' 75' ' ' LYS . 3.6 mp -125.77 146.7 31.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.117 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.45 126.44 35.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.5 mt -73.02 -31.34 64.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.451 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 4.5 m-85 -133.99 166.92 21.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -88.06 93.09 9.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.466 ' HB2' ' CD2' ' A' ' 71' ' ' TYR . 28.2 t80 -71.03 149.7 46.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -131.99 139.38 48.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.4 t -155.2 151.3 27.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -120.55 39.58 3.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.419 ' CG ' ' HD2' ' A' ' 33' ' ' PRO . 1.7 t70 -126.98 141.1 39.6 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.62 0.724 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.419 ' HD2' ' CG ' ' A' ' 32' ' ' ASP . 53.9 Cg_endo -69.7 -21.07 34.28 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.726 2.284 . . . . 0.0 112.348 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -83.13 -33.07 26.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.444 ' OE1' ' N ' ' A' ' 35' ' ' GLU . 13.0 mp0 -99.14 158.63 15.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.2 tp -120.71 141.04 50.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.42 103.21 15.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 71.8 mt -63.27 160.29 16.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.945 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.6 ttt85 -118.43 145.13 45.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 25.7 ttt-85 -69.12 121.93 17.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 74.51 39.26 0.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -129.05 140.2 51.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.46 ' N ' ' OE1' ' A' ' 43' ' ' GLU . 2.6 mp0 -91.46 154.55 19.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -148.01 143.95 27.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 41.4 t -88.37 132.76 34.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.6 tp -83.79 112.08 19.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.943 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.467 ' CD1' ' HB2' ' A' ' 58' ' ' GLN . 16.3 mt -83.11 -56.21 3.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -153.48 123.25 6.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.449 ' HB3' ' NE1' ' A' ' 55' ' ' TRP . 25.5 m -101.17 39.23 1.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.821 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.0 t -42.14 -52.71 4.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -88.2 163.25 16.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.895 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 22.3 mt -88.45 -53.81 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 44.0 m-70 -73.66 -35.68 65.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 67.8 m95 -108.04 122.17 46.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.449 ' NE1' ' HB3' ' A' ' 49' ' ' SER . 13.5 m0 -117.11 143.67 45.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 31.3 ttt-85 -94.82 119.42 33.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.1 m -130.84 172.29 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.467 ' HB2' ' CD1' ' A' ' 47' ' ' LEU . 40.0 tt0 -138.33 121.84 17.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.485 ' CG ' ' N ' ' A' ' 60' ' ' ARG . 3.4 t70 -63.79 168.35 5.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.485 ' N ' ' CG ' ' A' ' 59' ' ' ASP . 22.7 tpt180 -57.54 -37.85 73.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.854 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -73.69 -46.53 45.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 139.66 31.69 0.18 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.468 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -99.31 110.89 23.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.764 0.316 . . . . 0.0 110.844 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -106.2 164.81 11.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 160.16 153.91 7.11 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.528 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -65.33 117.93 8.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.911 0.386 . . . . 0.0 110.955 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.9 m -123.07 151.19 61.21 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.649 0.738 . . . . 0.0 111.099 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 103.0 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.656 2.237 . . . . 0.0 112.314 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.3 p -39.47 -34.46 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.6 m -45.19 -48.59 12.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.466 ' CD2' ' HB2' ' A' ' 28' ' ' TYR . 3.4 m-85 -66.98 -44.96 79.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.926 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 76.9 mt -67.35 144.67 55.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.0 m -144.3 134.16 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -56.82 112.98 1.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.41 ' HA ' ' CD1' ' A' ' 23' ' ' ILE . 18.8 tptp -40.95 110.51 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.1 p -43.71 152.14 0.46 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.677 0.751 . . . . 0.0 110.851 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -35.13 13.3 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.671 2.247 . . . . 0.0 112.37 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -74.8 127.65 33.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -84.65 103.09 13.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.1 tp -88.73 153.63 20.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -79.35 96.14 5.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.2 p -86.49 156.12 20.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.149 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -69.73 118.95 13.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.421 ' CD ' ' O ' ' A' ' 84' ' ' GLU . 1.1 pp20? -115.68 39.66 2.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.86 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 55.2 m95 . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.927 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.6 m -128.95 166.57 18.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.89 0.376 . . . . 0.0 110.843 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.5 t -77.12 -47.68 19.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.2 -130.81 4.97 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.532 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.8 t -55.09 157.63 3.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.878 0.37 . . . . 0.0 110.862 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -96.56 -47.34 5.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.19 48.7 5.28 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -75.01 164.78 26.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.886 0.374 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -161.78 144.71 12.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -80.46 134.72 36.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.8 ttm-85 -61.79 134.53 56.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 47.2 mtm180 -98.09 149.34 35.63 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.62 0.724 . . . . 0.0 110.837 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 175.39 8.21 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.325 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.428 ' CD2' ' N ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -105.52 -55.15 2.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 8.0 m95 -86.43 -178.96 6.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -117.72 154.11 50.89 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.611 0.72 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -41.01 4.58 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.706 2.27 . . . . 0.0 112.302 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -68.31 -42.73 79.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -58.18 165.0 2.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.7 m -103.0 107.21 17.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.177 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.4 t -100.15 136.32 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.156 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.0 m -128.31 153.9 38.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.3 mp -120.29 153.96 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.96 135.83 34.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.481 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 10.6 mt -84.06 -27.13 28.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.481 ' CE1' ' HB2' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -143.88 162.79 35.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.49 94.71 8.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -76.73 126.8 31.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -115.7 134.33 55.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 t -138.37 150.31 46.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.12 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -94.95 -28.96 14.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.424 ' CG ' ' HD2' ' A' ' 33' ' ' PRO . 1.8 t70 -62.96 141.13 97.63 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.632 0.73 . . . . 0.0 110.849 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' A' ' 32' ' ' ASP . 54.1 Cg_endo -69.71 -29.83 23.47 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.684 2.256 . . . . 0.0 112.381 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -72.85 -44.57 61.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -70.14 147.23 50.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 tp -109.21 145.76 35.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.16 109.44 21.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 39.7 mt -70.23 158.91 34.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.1 tpp85 -123.19 134.89 54.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.7 ttp180 -62.13 125.53 24.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 73.6 54.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -147.49 135.77 21.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -87.04 154.13 21.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -148.57 129.48 14.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 49.3 t -74.01 123.52 24.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.855 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 59.7 tp -74.18 101.72 4.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 80.8 mt -66.9 -67.19 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -144.65 146.45 32.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.7 p -110.32 36.71 2.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 26.2 t -38.24 -42.03 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -109.84 -178.05 3.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 83.9 mt -107.04 -47.7 8.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.09 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -75.98 -43.59 43.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 46.5 m95 -107.98 123.73 49.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 17.7 m0 -116.27 155.21 28.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -101.54 116.54 32.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.2 m -133.38 167.82 25.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -130.09 140.68 50.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -81.78 166.89 19.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 46.6 ttt-85 -58.58 -37.32 75.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -72.04 -49.64 35.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 143.89 33.07 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.469 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -111.02 120.33 42.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.801 0.334 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.445 ' OE1' ' C ' ' A' ' 64' ' ' GLU . 0.4 OUTLIER -124.94 168.85 12.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.878 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 166.25 -170.91 41.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.517 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -92.61 114.15 26.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.948 0.404 . . . . 0.0 110.892 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.5 m -123.23 154.15 65.21 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.626 0.726 . . . . 0.0 111.137 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.7 108.16 2.01 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.684 2.256 . . . . 0.0 112.321 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 94.8 p -41.56 -41.77 2.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.86 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.3 m -41.09 -51.77 3.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.789 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.475 ' CE2' ' HB2' ' A' ' 26' ' ' TYR . 7.0 m-85 -59.26 -37.99 78.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 59.1 mt -77.09 142.4 39.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.0 m -137.71 141.32 39.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -66.01 109.17 2.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.1 ttpt -44.49 117.72 1.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.6 t -38.31 147.38 0.26 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.692 0.758 . . . . 0.0 110.868 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -3.31 11.74 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.701 2.268 . . . . 0.0 112.357 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -47.54 144.15 3.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -85.42 143.98 28.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.402 HD12 ' C ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -125.52 9.29 7.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.932 179.929 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -67.75 94.49 0.45 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 74.3 p -104.9 171.23 7.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.147 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 60.72 45.44 10.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -104.55 89.56 3.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 89.4 m95 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.8 m -147.13 151.83 37.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.892 0.377 . . . . 0.0 110.842 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 m -151.42 135.87 16.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.871 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.428 ' N ' ' OE2' ' A' ' 8' ' ' GLU . . . -95.93 117.03 5.57 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.7 p -64.11 -49.16 73.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.862 0.363 . . . . 0.0 110.868 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.1 t -84.96 45.13 1.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.01 109.55 3.14 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.502 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.428 ' OE2' ' N ' ' A' ' 4' ' ' GLY . 13.4 mm-40 -51.99 -47.56 64.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.858 0.361 . . . . 0.0 110.884 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -153.05 155.07 36.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -119.69 170.74 8.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -133.96 121.85 22.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -133.66 147.81 66.04 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.557 0.694 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -177.14 1.74 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.672 2.248 . . . . 0.0 112.353 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.91 -44.71 3.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.953 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 17.1 m95 -113.33 -71.55 0.75 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -163.7 144.3 6.92 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.641 0.734 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -49.97 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.708 2.272 . . . . 0.0 112.299 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -85.55 35.68 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -141.03 144.7 35.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.3 m -95.5 105.27 17.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 85.9 t -93.48 134.21 31.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.4 m -125.56 153.11 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.438 ' CD1' ' HB2' ' A' ' 75' ' ' LYS . 2.0 mp -118.12 140.86 39.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.102 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.51 128.09 35.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.068 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.3 mt -68.51 -44.57 74.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -124.71 169.5 11.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -87.94 98.92 11.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -75.44 137.67 41.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -117.96 131.72 56.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.0 t -143.78 148.03 35.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -124.53 34.69 4.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -129.65 144.64 53.74 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.64 0.733 . . . . 0.0 110.847 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -23.51 30.78 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.673 2.249 . . . . 0.0 112.357 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -74.65 -32.9 62.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -105.13 176.31 5.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.421 ' HG ' ' N ' ' A' ' 37' ' ' ALA . 10.0 tp -133.92 149.87 51.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.928 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.421 ' N ' ' HG ' ' A' ' 36' ' ' LEU . . . -96.76 112.84 24.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.082 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 62.9 mt -80.6 175.94 10.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.462 ' HB3' ' CG ' ' A' ' 42' ' ' GLU . 23.5 ttt85 -135.49 149.8 49.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 56.3 ttt180 -70.11 131.19 43.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 64.73 37.83 7.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.462 ' CG ' ' HB3' ' A' ' 39' ' ' ARG . 32.1 mm-40 -127.91 119.99 26.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -76.16 154.01 35.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.421 ' CE1' ' O ' ' A' ' 42' ' ' GLU . 78.4 m-85 -141.62 130.2 22.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 38.3 t -72.58 109.37 6.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.493 HD13 ' CE3' ' A' ' 55' ' ' TRP . 3.0 tt -67.62 120.32 13.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 18.0 mt -85.71 -59.03 2.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -145.07 143.41 30.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 80.9 p -113.54 38.77 2.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.4 t -44.61 -57.47 3.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.812 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -90.46 -176.97 4.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 74.8 mt -108.22 -62.42 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.133 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -60.01 -39.77 86.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 45.9 m95 -112.98 125.59 54.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.493 ' CE3' HD13 ' A' ' 46' ' ' LEU . 10.5 m0 -119.15 150.91 39.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 54.4 ttt180 -96.59 109.71 22.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.813 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.443 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 13.6 m -126.43 174.92 9.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -140.07 128.95 23.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -69.06 164.65 21.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.64 -8.84 38.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -93.44 -46.67 7.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 140.26 32.71 0.15 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.47 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -120.28 121.78 39.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.78 0.324 . . . . 0.0 110.833 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.443 ' CB ' ' O ' ' A' ' 57' ' ' VAL . 0.2 OUTLIER -125.43 159.59 31.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 175.41 -164.02 34.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -97.29 110.67 23.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.947 0.403 . . . . 0.0 110.918 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.7 m -118.48 153.13 51.83 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.651 0.739 . . . . 0.0 111.123 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 107.67 1.91 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.674 2.25 . . . . 0.0 112.349 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.3 p -43.14 -35.08 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.9 m -44.96 -42.07 7.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -74.2 -42.93 59.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.6 mt -68.09 143.51 55.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.4 m -139.31 140.46 37.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -74.53 110.52 8.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.438 ' HB2' ' CD1' ' A' ' 23' ' ' ILE . 13.3 tttp -60.31 110.54 1.27 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 60.7 p -87.83 144.88 35.62 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.677 0.751 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' A' ' 79' ' ' ASN . 53.5 Cg_endo -69.8 2.1 3.86 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.657 2.238 . . . . 0.0 112.316 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.439 ' O ' ' C ' ' A' ' 79' ' ' ASN . 17.9 m120 -62.97 75.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.851 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 77' ' ' PRO . 5.8 p30 35.02 45.91 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.89 103.87 0.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -118.4 91.57 3.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.1 t -116.23 170.67 8.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -70.52 109.62 4.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.957 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -81.23 87.13 6.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 5.2 m95 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.944 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.2 t -65.11 134.74 54.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.356 . . . . 0.0 110.867 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.5 t -163.4 161.06 24.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.47 -149.12 21.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.1 t -116.29 122.72 45.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.861 0.362 . . . . 0.0 110.868 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.9 p -138.94 118.95 13.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.95 93.43 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -131.14 134.67 46.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.852 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.23 153.58 42.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -68.98 136.32 52.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.27 118.41 7.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.462 ' CG ' ' HD2' ' A' ' 13' ' ' PRO . 10.5 ttm180 -163.64 140.64 5.61 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.593 0.711 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.462 ' HD2' ' CG ' ' A' ' 12' ' ' ARG . 53.7 Cg_endo -69.76 153.49 68.86 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.686 2.257 . . . . 0.0 112.365 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.1 mt -104.22 -55.76 2.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.437 ' CD1' ' OE1' ' A' ' 43' ' ' GLU . 3.7 m95 -72.53 -176.96 2.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.1 mp0 -108.74 154.65 41.61 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.642 0.734 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -50.54 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.662 2.242 . . . . 0.0 112.346 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -49.47 -43.0 44.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -69.78 151.89 45.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.913 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.4 m -92.03 114.33 26.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.2 t -113.77 136.03 51.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.5 m -124.82 168.81 16.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.176 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.3 mt -130.01 149.08 33.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.01 119.64 32.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.077 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.1 mt -66.29 -39.92 89.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -130.71 152.45 50.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -73.68 95.8 2.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.836 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -75.36 135.52 40.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -117.3 144.6 44.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.94 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.6 t -166.11 119.48 1.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -90.0 41.69 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -120.92 146.57 44.18 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.619 0.723 . . . . 0.0 110.903 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -47.76 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.737 2.292 . . . . 0.0 112.269 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.8 pm0 -72.85 -0.86 14.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -121.12 144.58 48.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.7 tp -114.75 145.12 42.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -96.46 104.38 16.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 61.7 mt -59.63 163.76 4.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -121.32 129.3 53.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -60.48 129.51 41.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 64.95 51.8 1.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -145.16 136.09 24.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.437 ' OE1' ' CD1' ' A' ' 15' ' ' TRP . 16.6 mt-10 -78.65 153.17 31.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -148.79 127.56 12.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.942 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 49.0 t -76.43 133.57 39.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 27.1 tp -81.55 106.74 13.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 62.5 mt -68.21 -57.24 6.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -156.68 138.95 14.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 78.0 p -101.77 37.85 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.7 p -45.1 -48.23 12.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -103.51 -178.31 3.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 86.8 mt -110.57 -49.46 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -71.3 -44.41 65.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 62.0 m95 -112.9 118.59 35.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 16.7 m0 -108.27 158.6 17.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -103.63 115.32 30.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.1 m -130.63 171.17 18.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -137.69 136.03 37.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.424 ' CG ' ' N ' ' A' ' 60' ' ' ARG . 11.9 t70 -76.27 166.72 23.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.424 ' N ' ' CG ' ' A' ' 59' ' ' ASP . 7.2 ptt180 -63.95 -26.63 68.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -75.96 -51.03 13.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 142.2 34.04 0.1 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -119.11 125.26 48.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.716 0.293 . . . . 0.0 110.844 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -125.26 178.51 5.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 163.17 -143.8 8.98 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.483 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -120.87 126.8 50.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.919 0.39 . . . . 0.0 110.9 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.6 m -137.1 153.38 75.1 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.624 0.726 . . . . 0.0 111.103 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 110.8 2.64 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.706 2.271 . . . . 0.0 112.335 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 85.3 p -43.85 -37.42 2.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 71.7 m -42.39 -42.6 3.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -71.7 -37.98 70.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.8 mt -70.76 133.3 46.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.0 m -127.02 132.67 69.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -64.65 106.88 1.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 76' ' ' SER . 67.0 tttt -55.03 116.18 2.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.9 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 75' ' ' LYS . 74.1 m -37.19 144.96 0.28 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.654 0.74 . . . . 0.0 110.872 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.8 -166.97 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.618 2.212 . . . . 0.0 112.361 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -132.05 -50.02 0.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 56.1 t30 58.43 45.18 17.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.412 HD13 ' C ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -97.71 113.84 25.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -74.39 94.31 2.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.1 m -95.94 26.08 4.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -100.64 128.01 46.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -108.78 85.89 2.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.872 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.982 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 m -147.78 127.95 13.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.361 . . . . 0.0 110.884 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 m -157.35 173.63 16.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.31 -71.79 0.27 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.481 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.8 p -110.23 144.73 38.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.905 0.383 . . . . 0.0 110.888 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -133.23 -62.54 0.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.83 89.92 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.448 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.77 133.79 47.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.855 0.359 . . . . 0.0 110.9 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -111.25 110.23 20.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -108.24 93.7 4.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -65.81 134.18 52.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.471 ' CG ' ' HD2' ' A' ' 13' ' ' PRO . 47.6 ttt180 -156.47 139.92 11.18 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.567 0.699 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.471 ' HD2' ' CG ' ' A' ' 12' ' ' ARG . 53.3 Cg_endo -69.81 170.75 15.9 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.646 2.231 . . . . 0.0 112.346 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.436 ' CD2' ' N ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -109.67 -43.99 3.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 37.0 m95 -90.13 -176.61 4.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.945 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -88.8 145.34 34.65 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.679 0.752 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -23.36 31.21 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.708 2.272 . . . . 0.0 112.367 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -112.07 41.41 1.97 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -135.74 124.27 23.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.3 m -60.89 113.97 2.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 43' ' ' GLU . 54.7 t -119.43 141.27 40.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.102 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.6 m -125.71 158.53 34.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.118 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.2 mt -125.3 141.35 45.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.98 127.31 34.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.133 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.8 mt -73.91 -37.66 64.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -129.03 142.21 50.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 27' ' ' ASP . 7.3 p-10 -62.65 92.05 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.445 ' HB2' ' CD2' ' A' ' 71' ' ' TYR . 63.3 t80 -76.66 152.88 35.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -138.76 153.13 48.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.0 t -172.2 130.98 0.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.198 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.556 ' H ' ' ND2' ' A' ' 31' ' ' ASN . 0.0 OUTLIER -98.15 11.94 36.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.14 143.79 27.18 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.602 0.715 . . . . 0.0 110.818 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 -34.66 14.44 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.687 2.258 . . . . 0.0 112.386 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -64.73 -25.21 67.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -116.6 161.92 18.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.455 ' HG ' ' N ' ' A' ' 37' ' ' ALA . 7.3 tp -122.6 150.82 42.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.455 ' N ' ' HG ' ' A' ' 36' ' ' LEU . . . -95.1 109.45 21.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.5 mt -77.99 162.87 26.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.94 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -117.54 137.82 52.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.1 ttm180 -61.51 127.94 33.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 63.29 53.45 2.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -142.94 133.11 24.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.563 ' O ' ' CD1' ' A' ' 44' ' ' TYR . 17.2 mp0 -80.43 163.36 23.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.937 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.563 ' CD1' ' O ' ' A' ' 43' ' ' GLU . 41.1 m-85 -152.66 149.97 28.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.983 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.7 p -97.07 102.02 13.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.6 tp -55.13 131.93 46.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 89.6 mt -95.7 -52.26 4.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -147.4 148.57 31.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.4 p -124.39 38.95 4.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.3 t -54.63 -45.25 73.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -96.85 163.61 12.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 40.1 mt -95.12 -56.37 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.096 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 33.9 m-70 -67.98 -39.26 83.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 70.3 m95 -107.67 123.76 48.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 8.6 m0 -117.22 142.8 46.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.935 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -101.37 110.21 22.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 16.3 m -123.0 164.62 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.156 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -116.47 129.0 55.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.541 ' HA ' ' CD2' ' A' ' 44' ' ' TYR . 31.1 t70 -66.91 169.4 8.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 61' ' ' ASN . 8.9 ptt-85 -68.71 -33.85 74.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.404 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 35.0 m-20 -69.54 -50.95 40.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 145.56 33.75 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.468 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -111.82 174.17 6.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.728 0.299 . . . . 0.0 110.836 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -156.3 171.53 20.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 156.69 152.14 6.19 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.548 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -67.36 127.08 31.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.883 0.373 . . . . 0.0 110.929 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.2 m -132.81 154.78 81.57 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.655 0.74 . . . . 0.0 111.156 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 107.39 1.84 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.726 2.284 . . . . 0.0 112.371 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.3 p -40.74 -30.43 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.846 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.8 m -48.84 -49.92 36.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.445 ' CD2' ' HB2' ' A' ' 28' ' ' TYR . 3.2 m-85 -64.89 -43.32 93.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 94.3 mt -73.08 141.27 47.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.1 m -133.87 133.03 56.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.088 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -66.25 105.06 1.31 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 54.6 tttt -44.29 116.61 1.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.948 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.2 m -70.37 145.04 92.68 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.611 0.719 . . . . 0.0 110.902 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -32.33 19.03 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.722 2.281 . . . . 0.0 112.333 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.49 -61.39 1.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 62.15 51.22 3.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.29 50.79 0.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -116.18 66.39 0.71 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 67.2 p -76.22 163.75 26.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.165 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -82.27 133.93 35.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -113.58 84.28 1.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 34.3 p-90 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.8 t 38.6 42.13 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.879 0.371 . . . . 0.0 110.833 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.3 p -40.96 134.04 2.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.876 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.75 56.87 0.56 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.49 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.1 m -141.67 160.21 40.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.893 0.378 . . . . 0.0 110.827 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -161.15 126.8 3.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.84 131.38 9.75 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.475 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -102.05 -43.26 5.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 0.0 110.919 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -108.04 39.57 1.93 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -109.03 -57.39 2.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 67.5 mtt180 -108.5 158.95 17.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.46 ' CG ' ' HD2' ' A' ' 13' ' ' PRO . 24.8 ttt180 -136.47 139.24 28.96 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.64 0.733 . . . . 0.0 110.859 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.46 ' HD2' ' CG ' ' A' ' 12' ' ' ARG . 54.2 Cg_endo -69.73 174.95 8.73 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.66 2.24 . . . . 0.0 112.353 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.51 ' HB2' ' CD1' ' A' ' 15' ' ' TRP . 0.2 OUTLIER -108.04 -43.85 4.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.51 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 2.5 m95 -110.53 -176.78 3.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -91.04 149.5 40.12 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.692 0.758 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -49.07 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.645 2.23 . . . . 0.0 112.335 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -56.85 -43.46 81.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -67.0 145.72 55.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 58.6 m -78.45 124.8 28.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.155 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 72.5 t -123.7 125.83 71.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.0 m -116.84 154.7 18.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.419 HG22 ' N ' ' A' ' 24' ' ' ALA . 3.9 mp -118.34 147.82 21.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.419 ' N ' HG22 ' A' ' 23' ' ' ILE . . . -94.32 117.45 30.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.3 mt -61.99 -29.87 70.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.469 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 1.3 m-85 -139.11 170.56 15.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.415 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 17.2 p-10 -92.19 92.05 8.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -68.92 159.47 32.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.411 ' HA ' ' CB ' ' A' ' 37' ' ' ALA . 22.2 pt20 -144.07 150.35 38.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.44 143.78 25.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.191 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -91.2 -18.03 25.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.25 145.6 34.47 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.605 0.717 . . . . 0.0 110.855 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -43.58 2.57 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.677 2.251 . . . . 0.0 112.351 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -49.9 -43.92 49.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.953 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -82.82 156.98 23.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.3 tp -117.59 141.91 47.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.962 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.411 ' CB ' ' HA ' ' A' ' 29' ' ' GLN . . . -94.54 106.22 18.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.069 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.415 ' HG ' ' CG1' ' A' ' 67' ' ' VAL . 82.5 mt -65.99 163.57 16.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -123.66 143.56 50.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -63.64 136.25 57.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 56.77 50.53 12.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -139.02 126.25 21.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.463 ' OE1' ' CD1' ' A' ' 15' ' ' TRP . 21.0 mt-10 -75.37 151.88 38.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -148.04 138.15 22.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.8 m -84.29 137.59 33.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 61.1 tp -87.88 101.34 13.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 88.1 mt -68.61 -66.94 0.51 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -135.59 132.26 36.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 60.6 p -106.84 29.69 6.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 26.1 t -41.66 -59.07 1.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.826 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.15 -179.04 6.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.4 mt -109.84 -53.87 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.119 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -74.14 -33.58 63.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 70.3 m95 -113.31 122.58 47.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 14.9 m0 -118.09 143.32 46.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -91.74 113.93 26.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 33.1 m -120.97 172.74 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -134.81 120.51 19.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.535 ' CG ' ' N ' ' A' ' 60' ' ' ARG . 0.6 OUTLIER -63.4 170.13 3.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.535 ' N ' ' CG ' ' A' ' 59' ' ' ASP . 25.7 tpt85 -63.8 -41.5 97.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -68.34 -49.6 59.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 144.32 33.28 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -107.21 116.88 32.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.724 0.297 . . . . 0.0 110.821 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -109.42 175.56 5.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 153.44 -175.17 31.93 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.526 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -94.38 131.42 40.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.945 0.402 . . . . 0.0 110.876 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.415 ' CG1' ' HG ' ' A' ' 38' ' ' LEU . 3.7 m -136.7 151.44 72.61 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.61 0.719 . . . . 0.0 111.134 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 105.04 1.42 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.677 2.251 . . . . 0.0 112.367 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 84.6 p -40.77 -30.17 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -49.06 -46.85 45.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.846 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.469 ' CE2' ' HB2' ' A' ' 26' ' ' TYR . 3.6 m-85 -68.35 -41.38 80.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.95 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 48.7 mt -68.54 143.19 55.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.942 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.0 m -142.93 134.13 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -64.61 119.34 10.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -62.67 117.37 6.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.47 143.73 97.34 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.636 0.732 . . . . 0.0 110.887 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 -34.41 14.91 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.711 2.274 . . . . 0.0 112.31 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -109.7 156.66 19.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 28.5 t30 65.55 46.01 2.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.2 mp -56.96 117.62 4.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -99.21 63.56 1.32 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.1 m -95.12 14.41 22.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -55.79 129.72 40.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -126.98 109.85 12.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 14.5 p90 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.939 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.7 p -59.33 -49.8 76.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.91 0.386 . . . . 0.0 110.838 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.6 p -90.36 156.52 18.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.824 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.67 127.62 5.59 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.43 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.1 m -103.22 152.1 21.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.838 0.351 . . . . 0.0 110.834 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -154.92 156.84 36.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.08 40.63 1.62 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.535 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 44.33 42.35 5.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.852 0.358 . . . . 0.0 110.891 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -74.57 128.35 35.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -88.18 -54.3 4.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.31 167.08 21.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.475 ' CD ' ' HD2' ' A' ' 13' ' ' PRO . 9.0 tpp85 -164.55 138.87 4.3 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.589 0.709 . . . . 0.0 110.911 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.475 ' HD2' ' CD ' ' A' ' 12' ' ' ARG . 54.2 Cg_endo -69.73 164.46 34.41 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.655 2.237 . . . . 0.0 112.338 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.3 mp -102.24 -66.17 0.94 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 9.3 m0 -83.5 -63.69 1.31 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -167.34 147.83 4.83 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.611 0.72 . . . . 0.0 110.905 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -49.9 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.717 2.278 . . . . 0.0 112.346 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -68.29 -41.8 80.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -66.0 146.69 54.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.5 m -96.79 110.26 22.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.142 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -93.9 121.32 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.0 m -114.03 155.54 15.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 32.7 mt -121.57 145.03 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.171 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.74 148.05 24.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.422 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . 15.7 mt -94.93 -34.26 12.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.551 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 4.1 m-85 -131.17 149.46 52.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -72.72 92.61 1.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -71.15 150.35 45.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -132.27 150.08 52.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.6 t -166.96 141.59 3.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.105 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -112.73 42.56 1.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -134.33 144.13 49.83 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.586 0.708 . . . . 0.0 110.873 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -19.26 36.05 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.619 2.212 . . . . 0.0 112.349 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -83.94 -16.15 45.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -115.39 162.6 16.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.457 ' HG ' ' N ' ' A' ' 37' ' ' ALA . 23.7 tp -123.47 156.74 34.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.457 ' N ' ' HG ' ' A' ' 36' ' ' LEU . . . -102.78 102.84 13.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 41.2 mt -69.54 154.26 42.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -110.97 140.03 45.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 17.6 ttp180 -62.74 127.39 31.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 35.3 m-20 60.03 52.23 5.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.868 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -136.36 137.47 40.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.492 ' O ' ' CD1' ' A' ' 44' ' ' TYR . 74.3 mt-10 -79.96 157.62 26.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.492 ' CD1' ' O ' ' A' ' 43' ' ' GLU . 36.1 m-85 -150.11 150.87 32.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.893 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 50.9 t -94.92 120.55 35.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 25.4 tp -76.88 99.21 5.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.5 mt -67.52 -63.81 0.98 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -134.33 148.6 50.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 91.2 p -123.8 38.66 4.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.2 t -47.61 -52.73 16.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -94.48 -178.02 4.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 52.4 mt -112.85 -46.81 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -74.17 -31.57 62.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.82 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -119.98 117.21 27.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 9.3 m0 -110.69 146.91 35.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.9 ttt85 -101.59 113.13 25.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.0 m -125.44 170.89 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.163 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -123.75 115.88 22.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.49 168.89 1.01 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 47.4 ptt85 -64.18 -18.72 64.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -77.39 -40.28 44.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.86 -4.05 5.7 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.533 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -85.08 165.7 17.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.784 0.326 . . . . 0.0 110.843 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -140.13 176.03 9.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 165.86 170.3 30.6 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.485 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -85.0 106.87 16.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.872 0.368 . . . . 0.0 110.899 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.3 m -111.67 153.37 44.35 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.642 0.734 . . . . 0.0 111.078 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 115.53 4.14 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.712 2.274 . . . . 0.0 112.361 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 75.5 p -51.37 -34.48 34.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.6 p -49.6 -42.08 43.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.551 ' CE2' ' HB2' ' A' ' 26' ' ' TYR . 3.1 m-85 -70.32 -45.23 66.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.917 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 96.2 mt -69.58 138.44 53.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.2 m -131.51 145.24 35.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -71.4 110.72 6.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 35.0 tptt -47.32 106.1 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.8 m -54.12 145.07 36.4 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.678 0.751 . . . . 0.0 110.861 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -172.44 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.66 2.24 . . . . 0.0 112.357 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -113.06 123.36 50.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 -145.9 146.48 31.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.8 tp 48.34 46.62 20.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -93.55 39.96 1.07 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.1 m -87.84 16.63 5.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -120.85 135.17 55.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -127.49 105.7 8.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 18.7 p-90 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.909 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 t -66.05 113.58 4.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.898 0.38 . . . . 0.0 110.823 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.7 m -132.56 97.18 4.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.95 60.19 0.14 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.493 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -88.38 -59.45 2.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.9 0.381 . . . . 0.0 110.884 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.9 p -71.82 154.52 41.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.847 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.21 82.3 0.39 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.53 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -95.21 111.27 23.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.839 0.352 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -160.65 154.97 23.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.443 ' OD1' ' C ' ' A' ' 10' ' ' ASN . 9.3 t-20 -148.9 115.13 5.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -96.35 166.72 11.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.468 ' CG ' ' HD2' ' A' ' 13' ' ' PRO . 13.5 ttm180 -88.89 140.58 29.33 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.622 0.725 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 12' ' ' ARG . 54.1 Cg_endo -69.73 162.0 43.77 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.373 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.6 mt -99.63 -45.1 5.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 4.8 m95 -66.88 -175.59 0.43 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -101.87 151.68 38.01 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.645 0.736 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -34.07 15.07 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.664 2.243 . . . . 0.0 112.34 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -77.21 -40.43 45.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -53.98 158.22 2.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 61.3 m -100.75 95.84 6.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.183 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.7 t -97.6 138.83 21.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.5 m -124.39 170.71 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 13.7 mt -135.64 145.1 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.099 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.67 125.36 35.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.043 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.1 mt -76.21 -28.45 57.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -135.16 155.53 50.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.442 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 7.8 p-10 -81.74 93.45 6.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.538 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 88.2 t80 -77.18 145.01 37.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -124.47 139.29 54.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.945 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.2 t -159.21 117.6 2.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.159 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -89.39 40.88 1.01 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -118.42 147.67 42.35 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.6 0.714 . . . . 0.0 110.899 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -43.74 2.49 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.704 2.269 . . . . 0.0 112.348 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -70.98 -31.17 67.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -91.08 163.99 14.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.9 tp -134.87 143.98 47.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -88.96 101.97 14.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.067 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.436 HD21 ' CZ ' ' A' ' 44' ' ' TYR . 11.8 mt -64.48 143.03 58.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.952 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -99.69 139.28 35.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.413 ' HB3' ' NH1' ' A' ' 40' ' ' ARG . 10.8 ttp-105 -63.47 147.42 51.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.1 p30 42.15 49.54 4.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -135.2 140.6 45.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.466 ' O ' ' CD2' ' A' ' 44' ' ' TYR . 35.1 mt-10 -77.82 162.89 26.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.466 ' CD2' ' O ' ' A' ' 43' ' ' GLU . 59.2 m-85 -158.18 127.95 5.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.967 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 21.4 t -81.37 119.17 23.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 23.6 tp -70.65 126.02 28.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 63.9 mt -93.16 -58.21 2.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.43 147.97 37.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.3 p -123.79 33.62 5.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.2 t -52.59 -37.64 58.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -100.95 178.6 4.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 65.6 mt -110.43 -60.41 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.184 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -63.56 -46.77 84.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 67.9 m95 -103.34 112.82 25.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 11.8 m0 -105.55 141.4 37.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.922 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 38.5 ttt-85 -94.27 123.7 37.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.5 m -139.92 173.32 10.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -131.21 135.21 47.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -78.28 171.68 14.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.0 -30.37 67.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -71.12 -42.22 69.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 133.56 28.16 0.53 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.512 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.457 ' CD2' ' N ' ' A' ' 63' ' ' HIS . 2.9 m170 -107.89 167.28 10.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.764 0.316 . . . . 0.0 110.831 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -162.74 168.8 20.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 162.24 170.52 27.14 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.469 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -75.99 115.4 15.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.94 0.4 . . . . 0.0 110.939 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.6 m -126.15 153.88 74.26 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.584 0.707 . . . . 0.0 111.136 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 112.49 3.09 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.709 2.273 . . . . 0.0 112.352 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.9 p -48.09 -23.48 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.6 m -55.64 -43.24 76.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.538 ' CE2' ' HB2' ' A' ' 28' ' ' TYR . 3.1 m-85 -68.96 -43.64 74.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 98.6 mt -67.71 149.1 50.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.0 m -148.47 135.02 12.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.161 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -65.0 119.24 10.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.1 tptp -42.26 115.36 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.3 m -118.06 83.02 18.53 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.635 0.731 . . . . 0.0 110.839 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -34.31 14.75 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.686 2.257 . . . . 0.0 112.325 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -39.84 -55.6 1.94 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -165.44 162.25 19.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.9 mp -78.23 130.92 36.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -88.09 44.43 1.2 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.959 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 33.2 m -76.71 154.32 34.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.149 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -66.7 176.35 2.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.961 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -146.51 107.96 4.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 7.6 t-105 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.973 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.429 -0.269 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -85.78 126.35 33.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.85 0.357 . . . . 0.0 110.85 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 t -81.51 -51.36 8.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.13 -176.81 17.38 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.501 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.6 p -131.27 122.87 27.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.376 . . . . 0.0 110.863 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.4 p -135.15 157.86 45.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.843 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.39 96.23 0.12 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.83 170.3 16.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.858 0.361 . . . . 0.0 110.866 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -106.53 -59.1 1.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -152.29 144.39 23.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -82.48 43.42 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.454 ' CD ' ' HD2' ' A' ' 13' ' ' PRO . 13.6 tpp180 -156.77 138.91 10.24 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.571 0.7 . . . . 0.0 110.851 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.454 ' HD2' ' CD ' ' A' ' 12' ' ' ARG . 53.6 Cg_endo -69.77 166.83 26.27 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.641 2.227 . . . . 0.0 112.367 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.4 mt -71.71 -52.93 15.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 20.6 m95 -95.94 -175.65 3.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -119.41 151.97 52.11 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.599 0.714 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -27.78 26.06 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.672 2.248 . . . . 0.0 112.328 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -64.8 -36.11 83.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -88.34 144.74 26.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.7 m -82.31 93.61 7.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.152 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.443 ' CG1' ' HB3' ' A' ' 43' ' ' GLU . 93.2 t -97.1 122.61 48.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.152 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.7 m -110.71 164.07 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 15.8 mt -128.33 148.56 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.97 129.8 40.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.103 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.4 ' HB2' ' CD1' ' A' ' 26' ' ' TYR . 8.7 mt -77.49 -38.77 48.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.4 ' CD1' ' HB2' ' A' ' 25' ' ' LEU . 1.3 m-85 -127.84 158.77 36.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -79.59 104.24 10.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.924 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -85.07 160.08 20.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -157.17 144.19 18.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.939 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.74 164.37 30.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.18 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -103.09 -8.57 20.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -101.88 149.76 36.79 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.656 0.741 . . . . 0.0 110.816 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -46.7 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.679 2.253 . . . . 0.0 112.294 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -46.04 -45.77 16.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -80.76 151.39 28.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.8 tp -113.07 145.96 39.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.77 100.31 12.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 79.8 mt -62.08 157.31 19.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.936 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -116.4 134.17 55.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.5 ttp180 -59.93 130.62 47.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.7 m120 63.28 53.69 2.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -146.64 128.54 15.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.57 ' O ' ' CD1' ' A' ' 44' ' ' TYR . 4.7 mp0 -74.4 166.71 23.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.57 ' CD1' ' O ' ' A' ' 43' ' ' GLU . 71.9 m-85 -156.89 138.4 13.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.959 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 2.4 t -86.43 112.64 21.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 48.6 tp -61.86 134.26 56.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 98.0 mt -102.34 -63.97 1.11 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -137.41 148.24 46.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.9 p -122.3 46.38 2.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.4 t -62.78 -49.3 75.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.854 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -92.29 165.81 12.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 37.1 mt -94.85 -57.46 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 46.4 m-70 -68.89 -37.4 78.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 75.3 m95 -107.52 124.79 50.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -117.76 140.54 49.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -93.67 111.53 23.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.4 m -130.38 169.14 21.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -124.46 151.09 44.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.458 ' CG ' ' N ' ' A' ' 60' ' ' ARG . 3.7 t70 -90.12 167.23 12.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.458 ' N ' ' CG ' ' A' ' 59' ' ' ASP . 34.5 ttt180 -59.28 -38.02 79.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -70.51 -45.84 64.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 138.97 31.5 0.2 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.487 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -114.01 120.91 42.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.727 0.299 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -119.7 173.04 7.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 166.69 -161.59 35.34 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.488 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -102.21 123.69 46.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.891 0.376 . . . . 0.0 110.952 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 10.9 m -136.12 151.94 74.49 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.631 0.729 . . . . 0.0 111.122 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 113.87 3.51 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.72 2.28 . . . . 0.0 112.348 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 96.6 p -44.77 -36.27 3.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.869 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 73.4 m -43.91 -45.32 7.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.879 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -69.78 -42.65 73.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.931 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 89.2 mt -68.77 142.32 54.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.8 m -137.54 135.99 46.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.149 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -64.8 109.05 1.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -52.37 122.68 9.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.78 82.25 2.9 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.693 0.758 . . . . 0.0 110.866 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -29.92 23.09 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.668 2.245 . . . . 0.0 112.358 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -45.1 -43.47 9.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -135.92 121.55 19.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.82 111.31 23.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -124.13 50.74 1.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.9 p -147.35 170.47 17.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.17 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -149.5 145.49 26.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -116.08 94.67 4.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 10.3 p-90 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.949 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.9 p -170.82 170.94 6.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.872 0.368 . . . . 0.0 110.848 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.5 m -81.35 -54.89 5.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 108.76 67.24 0.6 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.513 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 4' ' ' GLY . 34.7 t -35.95 122.89 0.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.903 0.382 . . . . 0.0 110.872 -179.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.1 t -112.19 167.8 10.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.415 ' C ' ' OE1' ' A' ' 8' ' ' GLU . . . 139.82 133.81 3.05 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.461 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.415 ' OE1' ' C ' ' A' ' 7' ' ' GLY . 8.2 mp0 -134.86 122.52 22.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.904 0.383 . . . . 0.0 110.866 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -67.64 89.29 0.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -67.5 82.66 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.9 mmt85 -122.07 147.07 46.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.457 ' CG ' ' HD2' ' A' ' 13' ' ' PRO . 38.5 ttp180 -96.78 139.71 21.74 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.642 0.734 . . . . 0.0 110.851 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.457 ' HD2' ' CG ' ' A' ' 12' ' ' ARG . 53.4 Cg_endo -69.75 155.54 65.71 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.731 2.288 . . . . 0.0 112.281 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 mp -63.29 -36.2 82.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.49 ' CD1' ' N ' ' A' ' 15' ' ' TRP . 1.2 m95 -110.93 172.59 6.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -77.06 144.87 72.58 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.652 0.739 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -35.95 11.59 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.678 2.252 . . . . 0.0 112.282 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.71 -13.11 60.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -85.29 145.64 27.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.2 m -83.69 100.76 11.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.174 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.1 t -90.12 132.58 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.14 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.6 m -126.54 144.5 36.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.455 HG23 ' N ' ' A' ' 24' ' ' ALA . 15.7 mt -113.56 144.79 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.455 ' N ' HG23 ' A' ' 23' ' ' ILE . . . -89.46 128.39 35.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.096 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.2 mt -71.39 -36.31 71.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.481 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 4.2 m-85 -126.38 177.19 6.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -96.63 108.49 21.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.9 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -91.59 138.52 31.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -128.84 140.03 51.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.943 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.9 t -155.11 152.0 28.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -118.22 29.41 7.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -115.71 144.0 31.74 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.64 0.733 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -28.35 25.29 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.688 2.259 . . . . 0.0 112.373 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -78.58 -36.28 44.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -91.06 140.52 29.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.492 ' CD2' ' OD1' ' A' ' 59' ' ' ASP . 58.5 tp -101.22 149.95 23.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -98.98 122.93 42.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.1 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 46.9 mt -91.33 178.29 6.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -139.35 138.62 36.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -66.36 122.4 17.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 72.75 47.33 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -140.14 140.87 36.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.456 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 34.7 mt-10 -85.0 152.94 23.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.456 ' CD1' ' C ' ' A' ' 43' ' ' GLU . 60.5 m-85 -151.41 127.76 10.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 2.4 t -73.43 137.21 44.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 39.8 tp -88.14 108.64 19.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 70.2 mt -68.94 -69.23 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -129.29 160.65 32.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 90.5 p -128.47 34.18 4.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 64.4 p -47.07 -43.97 20.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.857 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -107.19 -177.32 3.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 85.9 mt -110.9 -55.89 4.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -68.95 -37.36 78.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 69.3 m95 -114.12 107.81 16.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -104.0 157.34 17.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 42.6 ttt180 -103.82 119.13 38.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.466 HG22 ' CD2' ' A' ' 36' ' ' LEU . 29.4 m -129.39 177.74 6.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -135.1 112.63 10.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.492 ' OD1' ' CD2' ' A' ' 36' ' ' LEU . 57.5 m-20 -58.75 148.6 29.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.87 -18.67 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -78.8 -49.31 13.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 135.53 29.55 0.37 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.493 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.422 ' O ' ' CD1' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -119.7 123.49 43.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.771 0.319 . . . . 0.0 110.862 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -105.87 169.09 8.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 168.49 -164.95 38.47 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -107.06 124.02 49.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.906 0.384 . . . . 0.0 110.97 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.6 m -130.76 154.28 81.8 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.602 0.715 . . . . 0.0 111.165 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 109.54 2.34 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.656 2.238 . . . . 0.0 112.311 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.4 p -43.59 -33.82 1.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 40.1 t -44.69 -52.61 8.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.85 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.481 ' CE2' ' HB2' ' A' ' 26' ' ' TYR . 3.4 m-85 -61.07 -44.71 96.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.38 150.68 47.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.0 m -148.6 131.84 7.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -67.17 111.94 4.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.5 tptt -47.07 120.49 3.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 90.6 p -51.52 144.13 18.08 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.706 0.765 . . . . 0.0 110.839 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -26.47 27.44 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.699 2.266 . . . . 0.0 112.314 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -100.72 133.47 45.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -108.49 137.49 46.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.6 mt -114.86 172.53 6.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.957 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 59.29 42.84 17.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 61.0 m -53.48 146.56 12.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -107.75 95.16 5.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -125.89 94.19 4.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 4.3 t-105 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.2 m -147.65 150.69 34.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.868 0.366 . . . . 0.0 110.828 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 t -148.11 172.8 13.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.56 112.88 0.84 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.453 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.1 t -126.46 86.3 2.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.896 0.379 . . . . 0.0 110.81 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.3 m -124.4 116.85 23.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.57 -102.64 1.57 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.479 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -88.77 121.65 31.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 0.0 110.9 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.3 p-10 -72.97 -55.4 6.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.83 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.541 ' ND2' ' NH1' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -160.29 149.83 17.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.466 ' HB2' ' ND2' ' A' ' 79' ' ' ASN . 4.2 ptp180 -143.03 142.61 31.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.828 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.541 ' NH1' ' ND2' ' A' ' 10' ' ' ASN . 52.5 mtm-85 -131.01 149.15 72.93 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.577 0.703 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 140.48 42.84 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.636 2.224 . . . . 0.0 112.365 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.7 mp -72.98 -51.86 16.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.458 ' NE1' ' OE1' ' A' ' 43' ' ' GLU . 16.8 m95 -104.75 -63.9 1.17 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -161.67 146.48 10.15 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.62 0.724 . . . . 0.0 110.907 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -34.3 14.97 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.698 2.266 . . . . 0.0 112.353 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -106.34 46.84 0.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -142.83 152.46 42.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.8 m -103.28 110.45 22.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.0 t -105.31 130.31 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.13 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 28.8 m -118.47 164.23 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.191 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.3 mt -134.52 142.1 41.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.84 128.57 35.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.4 mt -72.69 -36.06 67.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -124.97 152.54 44.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.957 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -77.52 94.96 4.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -77.46 135.62 38.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -114.87 127.06 55.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.481 ' O ' ' CG2' ' A' ' 30' ' ' THR . 12.0 t -171.05 110.96 0.35 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.2 p30 -97.77 34.71 1.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 58.8 p-10 -96.11 146.29 31.06 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.612 0.72 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -10.77 29.36 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.679 2.253 . . . . 0.0 112.37 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -92.77 -42.86 9.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -111.17 164.62 12.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.3 tp -118.32 147.46 43.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.68 103.21 13.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.427 HD21 ' CE2' ' A' ' 44' ' ' TYR . 41.5 mt -75.0 150.21 39.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.466 ' HD3' ' N ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -107.01 147.55 29.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.466 ' N ' ' HD3' ' A' ' 39' ' ' ARG . 41.9 ttt180 -62.2 140.94 58.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 38.72 50.39 1.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.56 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 13.5 tp10 -122.98 146.34 47.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.458 ' OE1' ' NE1' ' A' ' 15' ' ' TRP . 30.3 mt-10 -82.24 151.29 26.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.56 ' CE2' ' HG3' ' A' ' 42' ' ' GLU . 58.8 m-85 -152.04 129.22 11.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 2.4 p -83.08 117.91 23.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 48.5 tp -69.04 130.56 43.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 71.4 mt -96.84 -60.61 1.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -149.74 126.78 11.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.804 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.6 m -105.76 37.31 2.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 m -42.6 -41.42 3.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -97.64 -177.04 3.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 72.4 mt -109.39 -52.25 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.105 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -72.25 -38.85 68.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 52.7 m95 -109.06 115.27 29.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 8.7 m0 -110.9 131.0 55.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.952 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 25.0 ttp180 -82.31 116.56 21.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.843 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 19.2 m -127.54 172.69 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -137.68 138.85 39.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -78.29 162.23 26.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -59.27 -28.37 66.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -79.7 -50.25 10.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 145.93 34.5 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.518 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -109.81 119.14 38.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -110.81 179.32 4.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 147.78 167.66 13.54 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.469 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -85.57 136.51 33.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.899 0.381 . . . . 0.0 110.929 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.4 m -144.72 155.3 56.37 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.599 0.714 . . . . 0.0 111.15 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 109.82 2.4 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.5 p -42.64 -37.32 1.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.787 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.3 p -41.66 -44.2 3.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -68.96 -45.17 71.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 66.9 mt -68.75 148.89 49.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.4 m -145.04 133.35 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -63.98 110.24 2.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.5 tttp -54.48 121.67 8.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.5 m -61.13 154.68 60.17 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.696 0.76 . . . . 0.0 110.828 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -7.42 21.01 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.742 2.294 . . . . 0.0 112.33 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -48.42 152.92 0.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.466 ' ND2' ' HB2' ' A' ' 11' ' ' ARG . 27.3 t-20 -121.28 131.48 54.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.4 ' C ' HD11 ' A' ' 80' ' ' LEU . 4.7 pp -133.1 168.6 18.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -76.19 94.9 3.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.8 t -101.74 144.37 30.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -67.85 155.04 40.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -103.99 42.36 1.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 12.2 t-105 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.94 -179.974 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -96.31 -50.96 4.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.932 0.396 . . . . 0.0 110.82 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.4 p -85.66 152.97 22.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.99 43.71 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.468 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.3 m -112.29 82.02 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.351 . . . . 0.0 110.836 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 t -42.61 -55.28 3.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.25 70.49 1.05 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.49 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -101.31 90.03 3.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.871 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.07 97.86 5.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.85 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -95.74 41.09 1.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.8 ttm-85 -73.69 162.88 28.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -124.33 155.02 69.08 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.6 0.714 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 157.67 59.6 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.689 2.259 . . . . 0.0 112.353 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.7 mt -65.58 -50.1 66.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.4 ' HB3' ' CD ' ' A' ' 19' ' ' GLU . 1.0 OUTLIER -82.2 172.13 13.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.908 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -100.43 157.53 33.61 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.615 0.721 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -11.51 30.9 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.658 2.239 . . . . 0.0 112.32 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 19' ' ' GLU . 18.0 pt-20 -84.12 -46.07 12.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.423 ' N ' ' HG3' ' A' ' 18' ' ' GLU . 3.5 pt-20 -68.85 132.97 47.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 50.5 m -70.64 93.5 0.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.134 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.467 ' CG1' ' HB3' ' A' ' 43' ' ' GLU . 63.9 t -84.64 120.79 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.8 m -113.68 152.76 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.42 HD13 ' N ' ' A' ' 23' ' ' ILE . 2.8 mp -118.8 144.77 26.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.47 133.26 35.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.4 mt -80.92 -31.06 35.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -136.99 157.06 47.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -78.14 107.14 10.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -87.63 141.75 28.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -141.7 123.74 15.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.439 HG21 ' CB ' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -113.0 157.77 21.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.152 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -94.94 -11.22 28.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.955 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -103.8 150.35 38.1 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.619 0.723 . . . . 0.0 110.865 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -43.92 2.39 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.684 2.256 . . . . 0.0 112.34 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -46.1 -44.28 15.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.935 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.439 ' CB ' HG21 ' A' ' 30' ' ' THR . 2.4 mp0 -85.0 145.41 27.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.454 ' HG ' ' N ' ' A' ' 37' ' ' ALA . 6.2 tp -101.78 150.01 23.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.454 ' N ' ' HG ' ' A' ' 36' ' ' LEU . . . -98.09 103.51 15.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.084 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.479 HD23 ' CZ ' ' A' ' 44' ' ' TYR . 37.0 mt -64.87 162.36 16.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.909 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.8 tpp180 -119.62 144.5 47.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.6 ttp85 -67.79 133.67 49.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 60.31 51.25 5.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.507 ' OE2' ' CZ2' ' A' ' 85' ' ' TRP . 18.2 mm-40 -140.03 143.25 36.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.502 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 17.6 mp0 -92.74 157.18 16.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.502 ' CD1' ' C ' ' A' ' 43' ' ' GLU . 26.7 m-85 -148.31 147.22 29.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.943 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 53.9 t -89.96 119.19 30.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 57.9 tp -72.14 119.5 16.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.5 mt -92.9 -66.5 0.92 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -132.7 119.64 20.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.815 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 88.7 p -101.85 29.18 5.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 55.6 m -40.47 -57.73 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -81.55 -179.2 7.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.8 mt -112.42 -49.23 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -77.9 -32.23 51.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 80.8 m95 -116.07 108.07 15.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 14.6 m0 -104.91 144.01 32.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 45.6 ttt180 -100.4 113.37 26.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 18.0 m -131.81 166.91 27.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.096 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -119.14 127.9 53.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.28 -179.05 2.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.435 ' NH1' ' CG ' ' A' ' 85' ' ' TRP . 32.5 ptt180 -72.5 -23.69 61.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -71.6 -40.95 69.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 126.82 9.37 4.34 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.518 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -98.93 169.06 9.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.77 0.319 . . . . 0.0 110.884 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -142.93 173.02 11.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 168.13 154.84 9.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.509 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -70.48 100.93 1.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 0.0 110.931 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.405 ' CG1' ' HG ' ' A' ' 38' ' ' LEU . 3.3 m -105.47 150.72 39.31 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.614 0.721 . . . . 0.0 111.117 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 104.1 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.653 2.236 . . . . 0.0 112.337 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 70' ' ' SER . 60.8 p -39.57 -45.62 1.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 69' ' ' SER . 37.5 m -36.38 -48.29 0.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -64.69 -45.87 84.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.953 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 65.0 mt -69.93 140.87 53.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.9 m -132.46 137.17 54.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.14 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -67.6 111.31 4.11 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.445 ' NZ ' ' O ' ' A' ' 79' ' ' ASN . 0.0 OUTLIER -41.68 105.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 96.0 p -70.03 136.78 87.15 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.598 0.713 . . . . 0.0 110.883 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -14.45 35.94 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.654 2.236 . . . . 0.0 112.296 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -48.82 -65.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.445 ' O ' ' NZ ' ' A' ' 75' ' ' LYS . 13.0 t30 -128.64 123.44 33.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -86.52 124.1 32.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -116.73 98.34 6.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.4 m -94.16 141.66 28.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -135.53 123.69 23.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -109.25 98.94 8.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.507 ' CZ2' ' OE2' ' A' ' 42' ' ' GLU . 95.7 m95 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.7 m -116.1 110.28 18.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.818 0.342 . . . . 0.0 110.876 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -152.66 113.9 4.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.99 120.14 5.07 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -128.73 42.19 3.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.854 0.359 . . . . 0.0 110.836 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.2 m -99.15 120.8 40.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.807 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.63 64.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.51 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -122.14 109.06 14.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.348 . . . . 0.0 110.872 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -172.34 127.56 0.55 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -86.28 119.39 26.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.419 ' C ' ' HD3' ' A' ' 12' ' ' ARG . 22.2 mmt180 -92.55 167.6 11.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.842 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.517 HH11 ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -118.86 152.6 51.82 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.631 0.729 . . . . 0.0 110.844 -179.892 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 158.29 57.41 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.683 2.255 . . . . 0.0 112.333 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.7 mt -83.39 -57.32 3.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.424 ' CB ' HG23 ' A' ' 21' ' ' VAL . 1.7 m95 -99.61 177.59 5.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -105.98 154.78 39.27 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.647 0.737 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -20.29 35.15 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.714 2.276 . . . . 0.0 112.348 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -80.74 -43.35 20.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -74.31 134.01 42.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 21.4 m -63.55 115.06 4.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.133 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.424 HG23 ' CB ' ' A' ' 15' ' ' TRP . 88.0 t -118.1 124.91 73.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.084 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.5 m -115.65 166.77 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.7 mp -132.52 145.86 33.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.143 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.57 109.72 21.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.1 mt -55.32 -41.27 72.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -125.88 160.63 29.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -81.01 102.76 10.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.858 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -88.47 142.01 28.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.913 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.414 ' HA ' ' CB ' ' A' ' 37' ' ' ALA . 1.7 pp0? -132.25 152.41 51.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.8 t -170.09 141.27 2.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.107 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -112.06 35.51 3.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.75 147.41 34.21 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.605 0.717 . . . . 0.0 110.875 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -24.75 29.36 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.35 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -107.83 34.78 3.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -150.01 169.9 20.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.424 ' HG ' ' N ' ' A' ' 37' ' ' ALA . 12.4 tp -138.67 151.71 47.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.424 ' N ' ' HG ' ' A' ' 36' ' ' LEU . . . -103.01 109.43 20.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.1 mt -79.0 157.84 28.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.943 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.9 ttt85 -111.65 142.68 43.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.411 ' NH1' ' HB2' ' A' ' 40' ' ' ARG . 22.1 ttm105 -67.33 127.38 32.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 71.36 38.35 1.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -128.76 138.63 52.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -90.36 153.3 20.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.455 ' CD2' ' HA ' ' A' ' 59' ' ' ASP . 57.1 m-85 -143.52 163.45 33.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 2.7 t -105.41 116.08 31.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.8 tp -67.23 106.84 2.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 27.3 mt -70.03 -62.46 1.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -145.32 147.75 32.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 45.5 p -112.5 31.33 6.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.1 t -38.92 -47.08 1.39 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -104.45 -179.11 3.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 81.6 mt -108.5 -56.42 4.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.127 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -66.52 -28.42 68.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -121.72 123.97 43.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 19.7 m0 -117.36 148.39 41.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 60.1 ttt180 -98.07 126.32 43.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.3 m -135.41 172.44 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -135.27 108.68 7.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.455 ' HA ' ' CD2' ' A' ' 44' ' ' TYR . 29.5 t70 -47.54 168.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -65.49 -34.38 78.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -73.19 -50.12 24.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 144.67 37.13 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.2 m170 -111.25 120.81 43.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.794 0.331 . . . . 0.0 110.842 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -108.63 169.03 8.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 159.95 -175.67 36.75 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.528 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -101.08 122.95 44.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.927 0.394 . . . . 0.0 110.913 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 6.6 m -128.01 153.75 78.4 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.646 0.736 . . . . 0.0 111.138 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 112.12 2.98 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.708 2.272 . . . . 0.0 112.366 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 81.8 p -44.83 -34.25 2.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 31.8 m -45.59 -40.25 8.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.848 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -73.44 -43.2 60.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.989 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 92.2 mt -70.67 142.49 51.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.1 m -141.12 134.77 31.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.128 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -64.7 114.92 4.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.2 tptp -43.8 106.21 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.2 m -45.59 146.08 1.91 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.66 0.743 . . . . 0.0 110.892 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -14.66 36.55 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.671 2.247 . . . . 0.0 112.353 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -109.22 95.97 5.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -59.42 120.88 10.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.3 mp -95.24 141.19 29.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -128.86 92.45 3.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.2 m -83.98 23.96 0.97 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.112 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -126.08 88.02 2.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.406 ' O ' ' CG ' ' A' ' 84' ' ' GLU . 7.1 pt-20 -87.31 93.83 9.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 9.8 m95 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.971 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.3 m -156.89 156.92 33.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.373 . . . . 0.0 110.861 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.9 m -124.37 146.85 48.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.92 56.45 0.71 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.8 t -83.37 87.36 6.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.878 0.371 . . . . 0.0 110.813 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.1 m -149.46 133.84 17.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.43 -82.25 0.89 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.456 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -100.34 43.16 1.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.896 0.379 . . . . 0.0 110.912 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 63.61 33.29 13.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 58.72 46.06 14.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -122.24 152.06 40.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.471 ' CG ' ' HD2' ' A' ' 13' ' ' PRO . 34.5 ttp180 -167.12 139.4 2.77 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.583 0.706 . . . . 0.0 110.865 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.471 ' HD2' ' CG ' ' A' ' 12' ' ' ARG . 54.0 Cg_endo -69.75 172.41 12.67 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.667 2.244 . . . . 0.0 112.341 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.2 mp -104.78 -53.42 2.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.6 m95 -100.44 -176.28 3.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -118.26 149.14 45.25 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.654 0.74 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -3.8 12.71 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.681 2.254 . . . . 0.0 112.371 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -95.69 -36.83 11.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -76.64 149.35 36.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.3 m -82.6 103.22 11.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.167 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.429 HG12 ' N ' ' A' ' 22' ' ' VAL . 75.7 t -99.84 144.06 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.127 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.429 ' N ' HG12 ' A' ' 21' ' ' VAL . 4.3 m -138.7 139.29 41.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.099 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.432 HG22 ' N ' ' A' ' 24' ' ' ALA . 3.2 mp -104.12 146.0 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.432 ' N ' HG22 ' A' ' 23' ' ' ILE . . . -89.57 124.83 34.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.078 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.3 mt -67.45 -33.31 74.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.964 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -132.06 171.7 13.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.47 71.9 3.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.859 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.514 ' CE2' HG22 ' A' ' 30' ' ' THR . 26.7 t80 -43.89 147.92 0.44 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -119.97 128.94 54.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.514 HG22 ' CE2' ' A' ' 28' ' ' TYR . 5.2 t -169.33 114.67 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -100.44 37.58 1.66 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.446 ' OD2' ' CD ' ' A' ' 35' ' ' GLU . 42.6 p30 -106.77 143.91 27.99 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.574 0.702 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -8.76 24.42 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.648 2.232 . . . . 0.0 112.33 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.6 mp0 -94.18 -43.24 8.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.446 ' CD ' ' OD2' ' A' ' 32' ' ' ASP . 11.7 mt-10 -107.23 153.99 21.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.458 ' HG ' ' N ' ' A' ' 37' ' ' ALA . 6.0 tp -108.49 152.17 25.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.458 ' N ' ' HG ' ' A' ' 36' ' ' LEU . . . -93.52 100.42 12.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.134 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 36.1 mt -61.59 162.52 8.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.427 ' HG3' ' N ' ' A' ' 40' ' ' ARG . 15.2 tpt180 -123.01 145.29 48.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.427 ' N ' ' HG3' ' A' ' 39' ' ' ARG . 32.7 ttt180 -65.1 129.63 40.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 63.17 41.89 7.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -128.77 130.95 47.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -82.2 158.93 23.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.418 ' CE2' ' OD1' ' A' ' 59' ' ' ASP . 75.8 m-85 -151.8 129.09 11.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.7 p -72.75 131.06 41.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 48.7 tp -78.74 105.79 10.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 43.5 mt -76.71 -69.14 0.53 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.873 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -137.26 130.34 30.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 83.0 p -106.93 31.84 5.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.835 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.2 t -43.47 -48.49 7.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -88.95 179.48 6.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 69.6 mt -109.49 -53.71 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.137 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -76.03 -26.97 57.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 59.5 m95 -117.58 122.03 42.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 20.0 m0 -117.97 143.93 45.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.94 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 -96.2 118.53 32.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.7 m -133.93 166.31 29.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.165 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -119.91 140.54 50.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.418 ' OD1' ' CE2' ' A' ' 44' ' ' TYR . 13.9 t70 -77.01 166.22 23.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -71.53 -4.45 26.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 55.5 m-20 -109.04 -37.85 5.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 135.6 42.38 0.12 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.508 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -123.32 119.48 30.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.708 0.29 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -111.04 169.28 8.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 158.49 162.64 12.03 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.533 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -81.85 117.26 21.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.915 0.388 . . . . 0.0 110.932 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -121.47 157.1 57.25 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.626 0.727 . . . . 0.0 111.144 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 69' ' ' SER . 54.0 Cg_endo -69.76 102.28 1.01 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.669 2.246 . . . . 0.0 112.376 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 68' ' ' PRO . 96.1 p -36.88 -34.75 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 35.7 m -44.34 -50.05 9.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -64.67 -45.14 87.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 92.8 mt -69.51 131.89 45.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.947 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.1 m -122.23 135.17 63.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -50.82 110.85 0.46 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.418 ' CB ' HD12 ' A' ' 23' ' ' ILE . 8.2 tmtm? -67.18 122.9 18.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.8 p -157.35 146.91 15.21 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.652 0.739 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -23.57 30.62 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.647 2.232 . . . . 0.0 112.375 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -160.26 130.52 5.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -41.31 140.3 0.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.2 pp -57.08 153.94 10.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -127.72 81.02 1.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 63.5 p -140.27 110.5 6.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.159 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -137.57 126.48 24.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -110.62 87.84 2.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 5.2 p90 . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.898 -179.976 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.3 t -134.26 124.81 26.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.881 0.372 . . . . 0.0 110.821 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.4 t -78.25 110.37 13.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.63 152.67 29.52 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.476 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.8 p -163.75 148.96 10.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.848 0.356 . . . . 0.0 110.884 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.3 m -79.5 106.92 11.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.13 122.13 5.9 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.486 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -169.49 127.1 0.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 110.904 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -92.91 157.01 16.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -131.69 154.08 49.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -83.09 136.93 34.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -68.7 158.34 85.93 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.616 0.722 . . . . 0.0 110.848 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 155.2 66.46 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.626 2.217 . . . . 0.0 112.379 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.3 mp -77.2 -46.96 21.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.952 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -94.21 -177.99 4.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -112.13 159.51 33.46 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.651 0.739 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -41.37 4.39 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.695 2.263 . . . . 0.0 112.363 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -64.86 -45.98 83.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -65.62 128.68 36.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.0 m -75.08 106.75 6.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.102 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.433 ' CG1' ' HB3' ' A' ' 43' ' ' GLU . 64.6 t -114.86 135.18 55.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.7 m -116.99 168.43 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.424 HG22 ' N ' ' A' ' 24' ' ' ALA . 3.4 mp -131.5 145.3 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.424 ' N ' HG22 ' A' ' 23' ' ' ILE . . . -88.62 128.45 35.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.082 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.7 mt -77.04 -40.8 45.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -130.24 162.25 29.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -77.58 113.7 15.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.872 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -99.33 133.89 42.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -126.8 153.68 45.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.7 t -151.51 151.4 31.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.093 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -86.82 -29.04 22.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -82.37 143.86 48.91 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.604 0.716 . . . . 0.0 110.852 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -43.18 2.81 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.667 2.245 . . . . 0.0 112.343 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -44.43 -44.15 8.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.961 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.9 mp0 -85.65 136.41 33.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.2 tp -95.59 145.41 25.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -92.73 104.05 16.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.12 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.43 ' HG ' ' CG1' ' A' ' 67' ' ' VAL . 83.7 mt -58.47 171.44 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.33 136.65 45.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 30.6 ttt-85 -60.96 129.92 43.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 61.73 52.66 3.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -145.37 130.16 18.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.433 ' HB3' ' CG1' ' A' ' 21' ' ' VAL . 4.3 mp0 -78.38 162.39 26.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.404 ' CD1' ' O ' ' A' ' 43' ' ' GLU . 71.2 m-85 -152.45 127.71 9.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 4.9 m -73.64 121.38 20.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.831 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 35.4 tp -69.38 122.48 19.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 93.6 mt -91.15 -52.52 4.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.915 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -168.14 120.49 0.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 50' ' ' SER . 2.0 m -86.03 36.08 0.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 49' ' ' SER . 54.5 m -36.32 -45.14 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -100.3 165.42 11.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.3 mp -83.4 -70.93 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -62.24 -42.57 99.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.2 m95 -96.7 118.75 33.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.411 ' CE2' ' OG ' ' A' ' 49' ' ' SER . 11.1 m0 -113.64 138.69 49.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 19.1 ttp180 -86.27 122.78 30.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.5 m -142.99 164.61 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -126.36 141.39 51.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -75.49 171.33 14.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 32.9 ttt85 -67.34 -36.52 81.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -71.68 -52.4 18.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 149.13 36.17 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.504 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -118.52 111.22 18.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.753 0.311 . . . . 0.0 110.86 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.13 174.94 5.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 160.96 -168.17 36.21 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -98.45 112.98 24.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.96 0.409 . . . . 0.0 110.881 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.43 ' CG1' ' HG ' ' A' ' 38' ' ' LEU . 12.7 m -121.5 153.76 59.31 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.647 0.737 . . . . 0.0 111.108 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 105.32 1.46 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.698 2.265 . . . . 0.0 112.359 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 72' ' ' LEU . 91.2 p -38.67 -46.28 1.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 69' ' ' SER . 60.9 p -35.75 -50.71 0.65 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -62.76 -40.52 97.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.916 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 69' ' ' SER . 84.3 mt -71.83 143.59 49.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.956 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 10.5 m -132.18 141.18 46.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.175 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -72.1 104.21 3.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.4 ttpt -38.92 117.08 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 33.3 t -118.68 142.98 32.6 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.675 0.75 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -7.47 21.13 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.379 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -52.84 161.35 0.77 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 59.71 43.5 15.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.5 pp -97.07 154.91 17.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 65.82 40.05 4.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.3 m -103.07 25.81 8.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.186 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -109.72 89.71 3.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.83 43.25 0.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.864 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 40.0 t90 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.997 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.5 t -101.61 138.94 37.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.846 0.355 . . . . 0.0 110.874 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.9 p -45.03 130.58 7.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.67 -127.19 1.86 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.517 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.2 m -41.16 145.02 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.856 0.36 . . . . 0.0 110.863 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -120.01 107.85 13.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.46 66.14 0.23 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.509 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.416 ' O ' ' CG ' ' A' ' 9' ' ' ASP . 7.5 mp0 -121.97 81.92 1.89 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.814 0.34 . . . . 0.0 110.859 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.416 ' CG ' ' O ' ' A' ' 8' ' ' GLU . 3.5 m-20 -162.17 157.22 22.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.426 ' C ' ' HD3' ' A' ' 11' ' ' ARG . 11.0 m120 -115.27 172.34 7.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.506 HH11 ' N ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -118.88 146.66 44.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.0 mtt-85 -77.42 143.92 69.45 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.577 0.703 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 147.1 62.05 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.691 2.26 . . . . 0.0 112.326 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.2 mp -81.84 -65.29 1.03 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.929 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -99.95 -176.18 3.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -75.68 144.45 76.96 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.632 0.729 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -47.52 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.717 2.278 . . . . 0.0 112.321 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -64.92 -43.48 92.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -60.86 150.15 33.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.4 m -91.29 116.78 29.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.198 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.437 HG13 ' N ' ' A' ' 22' ' ' VAL . 78.8 t -101.4 135.48 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.437 ' N ' HG13 ' A' ' 21' ' ' VAL . 1.8 m -129.37 153.87 39.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.111 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 17.2 mt -122.96 144.36 32.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.077 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.46 132.27 33.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.091 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.5 mt -79.47 -32.29 42.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.553 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 0.7 OUTLIER -133.07 156.88 46.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -76.9 95.31 4.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.821 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -80.87 144.55 31.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -131.23 153.13 49.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.931 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.1 t -168.07 144.08 3.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -115.08 40.44 2.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -132.57 147.3 65.03 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.587 0.708 . . . . 0.0 110.867 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -33.24 17.05 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.652 2.234 . . . . 0.0 112.348 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -70.7 -25.55 63.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -113.43 151.49 31.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.407 ' HG ' ' N ' ' A' ' 37' ' ' ALA . 9.9 tp -118.43 149.91 40.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.407 ' N ' ' HG ' ' A' ' 36' ' ' LEU . . . -95.47 128.7 42.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 42.7 mt -96.09 167.1 11.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.435 ' HB3' ' CG ' ' A' ' 42' ' ' GLU . 11.2 ttp180 -122.51 150.8 42.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.2 ttp180 -72.14 124.98 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 41' ' ' ASN . 1.0 OUTLIER 66.93 46.37 1.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.908 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.435 ' CG ' ' HB3' ' A' ' 39' ' ' ARG . 26.2 mm-40 -132.05 133.37 44.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.404 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 36.5 mt-10 -83.0 155.14 24.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.404 ' CD1' ' C ' ' A' ' 43' ' ' GLU . 62.1 m-85 -148.91 144.67 27.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.943 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 49.7 t -89.88 124.57 34.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 26.1 tp -75.63 118.48 18.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 50.3 mt -82.87 -56.03 4.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -145.63 143.18 29.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 98.3 p -115.03 36.37 3.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.1 t -48.17 -55.17 11.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.82 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -88.55 171.7 9.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 27.9 mt -101.03 -55.5 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.143 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -70.66 -32.83 70.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -113.7 125.72 54.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 15.3 m0 -119.68 143.27 47.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.7 ttt180 -97.19 105.92 18.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.417 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 11.9 m -119.98 167.4 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -123.74 141.09 52.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -83.5 163.91 20.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -60.18 -28.03 67.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -77.69 -48.31 17.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 139.8 34.7 0.14 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.522 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -121.34 129.74 53.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.728 0.299 . . . . 0.0 110.845 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.417 ' CB ' ' O ' ' A' ' 57' ' ' VAL . 0.7 OUTLIER -127.49 179.27 5.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 161.3 -175.65 37.9 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -90.79 105.06 17.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.956 0.407 . . . . 0.0 110.887 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.0 m -112.8 153.26 45.18 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.651 0.739 . . . . 0.0 111.13 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 106.5 1.68 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.616 2.21 . . . . 0.0 112.336 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.2 p -39.24 -35.09 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.832 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 61.3 m -44.36 -45.8 9.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.553 ' CE2' ' HB2' ' A' ' 26' ' ' TYR . 3.3 m-85 -69.98 -42.67 72.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.972 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 65.9 mt -70.48 141.27 52.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 1.9 m -138.45 132.18 41.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -65.77 108.77 2.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.2 tptp -47.77 102.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.958 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 48.6 m -58.65 144.02 80.77 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.726 0.774 . . . . 0.0 110.824 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -23.17 31.18 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.698 2.266 . . . . 0.0 112.354 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -120.44 110.6 16.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -55.79 152.09 10.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.1 mt -94.02 58.39 2.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -83.69 80.93 8.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.5 t -170.63 151.45 3.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.128 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -60.25 121.18 11.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -124.67 97.76 5.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 6.9 p-90 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.895 -179.957 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.4 m -90.96 -48.08 7.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.916 0.388 . . . . 0.0 110.837 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -78.22 94.57 4.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.94 -163.57 31.91 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.5 t -109.28 105.75 15.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 0.0 110.828 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.0 t -69.49 -52.54 25.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.37 -88.77 0.12 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.475 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 57.48 43.36 23.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.792 0.329 . . . . 0.0 110.868 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -97.06 167.56 10.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -104.6 154.19 20.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -121.02 38.06 4.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.462 ' CG ' ' HD2' ' A' ' 13' ' ' PRO . 33.8 ttt180 -64.82 139.77 97.87 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.62 0.724 . . . . 0.0 110.877 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.462 ' HD2' ' CG ' ' A' ' 12' ' ' ARG . 53.6 Cg_endo -69.76 150.48 68.27 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.675 2.25 . . . . 0.0 112.33 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.7 mt -68.01 -51.12 50.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 8.2 m95 -83.91 -175.69 5.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -110.11 144.2 29.57 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.654 0.74 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -0.09 6.42 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.665 2.244 . . . . 0.0 112.324 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -90.54 -38.33 13.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.828 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -88.62 139.59 30.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 87.6 m -67.76 104.0 1.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.192 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.1 t -98.14 121.69 48.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.173 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 44' ' ' TYR . 3.6 m -116.73 146.91 20.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.8 mp -109.76 151.87 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -98.8 118.79 36.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.9 mt -64.36 -35.18 80.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.488 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 3.0 m-85 -131.73 164.94 24.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -87.27 98.4 11.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.852 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -69.38 138.43 53.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -123.22 133.5 54.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.3 t -152.62 133.24 13.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -99.66 43.0 1.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -128.81 151.03 76.61 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.567 0.699 . . . . 0.0 110.873 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 -47.23 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.648 2.232 . . . . 0.0 112.334 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -64.4 -44.86 89.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 -73.66 140.78 46.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.4 ' HG ' ' N ' ' A' ' 37' ' ' ALA . 5.6 tp -105.51 147.07 28.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.929 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.4 ' N ' ' HG ' ' A' ' 36' ' ' LEU . . . -94.32 102.77 14.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.074 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.7 mt -71.43 144.92 49.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -102.26 145.2 29.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.818 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -68.54 137.4 54.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 56.42 51.86 10.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -142.36 133.45 25.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.429 ' O ' ' CD1' ' A' ' 44' ' ' TYR . 19.0 mt-10 -76.85 159.66 29.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.461 ' CD2' ' HA ' ' A' ' 59' ' ' ASP . 79.0 m-85 -156.49 125.49 6.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.5 p -70.68 136.57 49.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.838 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 68.3 tp -82.81 118.38 23.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 97.1 mt -85.04 -60.88 1.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -152.34 132.74 13.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.82 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 50' ' ' SER . 95.2 p -101.99 30.31 4.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 49' ' ' SER . 24.0 p -34.83 -45.7 0.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -100.73 165.28 11.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 39.8 mt -89.72 -53.72 8.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 -72.3 -47.23 51.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.843 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 67.1 m95 -96.88 122.54 39.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 10.1 m0 -116.76 140.5 49.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -91.34 118.3 30.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.0 m -128.14 171.98 15.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -128.22 137.4 52.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.461 ' HA ' ' CD2' ' A' ' 44' ' ' TYR . 27.4 t0 -80.81 167.88 19.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.7 tpt85 -53.2 -39.55 63.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -80.15 -36.37 35.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 141.23 -7.78 2.62 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.513 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -58.87 113.01 1.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.764 0.316 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.13 166.36 14.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 167.43 -161.66 35.47 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.51 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -102.07 128.6 48.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.88 0.371 . . . . 0.0 110.94 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.2 m -141.38 153.48 66.02 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.621 0.724 . . . . 0.0 111.155 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 112.57 3.13 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.663 2.242 . . . . 0.0 112.324 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 82.7 p -43.69 -38.55 3.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.6 m -40.61 -46.73 2.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.488 ' CE2' ' HB2' ' A' ' 26' ' ' TYR . 4.7 m-85 -66.57 -41.83 87.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 83.2 mt -69.33 146.75 51.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.0 m -147.04 132.66 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.135 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -65.36 116.18 6.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.6 tptp -38.27 108.23 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 78.4 p -98.43 148.73 34.92 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.615 0.721 . . . . 0.0 110.865 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -0.35 6.78 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.725 2.283 . . . . 0.0 112.357 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -40.84 142.58 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -47.31 108.24 0.14 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.4 tp -144.93 148.42 33.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -90.9 87.94 6.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.01 5.01 47.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -53.68 167.96 0.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -131.4 100.85 5.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 56.4 m95 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.967 -179.987 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.1 t -109.92 94.14 4.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.933 0.397 . . . . 0.0 110.858 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.1 m -89.84 84.11 6.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.823 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.25 54.55 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.3 m -54.18 -50.86 66.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.851 0.358 . . . . 0.0 110.822 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.6 m -118.47 110.69 17.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.84 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.8 158.82 47.15 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.425 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -85.07 -51.88 6.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.842 0.353 . . . . 0.0 110.857 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -111.45 123.41 50.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -112.67 -49.46 2.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 31.9 mtp180 -134.03 -179.47 5.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 72.1 mtm-85 -79.96 146.6 64.07 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.669 0.747 . . . . 0.0 110.812 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 142.15 47.1 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.695 2.263 . . . . 0.0 112.358 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.0 mt -51.8 -65.86 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 5.0 m95 -59.39 178.74 0.13 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -125.91 157.39 69.33 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.653 0.739 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -41.42 4.28 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.682 2.254 . . . . 0.0 112.34 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.46 -8.71 57.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -93.47 151.87 19.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 92.8 m -91.6 112.3 24.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.152 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.7 t -107.49 132.01 56.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.9 m -114.38 171.47 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.9 mt -134.54 147.59 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.43 139.97 30.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.105 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.2 mt -90.59 -31.0 16.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.454 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 2.8 m-85 -132.77 151.76 51.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.33 93.4 2.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.858 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -77.71 156.08 30.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -148.44 149.16 31.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.5 t -171.58 118.9 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -83.93 44.69 1.02 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.68 143.73 47.45 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.615 0.721 . . . . 0.0 110.843 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -42.2 3.67 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.681 2.254 . . . . 0.0 112.337 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -64.19 -25.61 68.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -104.78 170.58 7.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.8 tp -132.94 151.75 52.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.1 103.97 15.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 85.4 mt -70.24 169.42 13.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.2 tpp85 -133.36 136.29 45.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.492 ' O ' ' ND2' ' A' ' 41' ' ' ASN . 35.0 ttt180 -62.68 147.6 49.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 40' ' ' ARG . 8.6 p30 46.61 51.86 11.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -142.57 142.86 32.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.591 ' O ' ' CD1' ' A' ' 44' ' ' TYR . 38.6 mt-10 -83.86 158.95 21.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.591 ' CD1' ' O ' ' A' ' 43' ' ' GLU . 49.4 m-85 -155.04 132.46 11.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 8.9 t -81.78 129.71 34.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 61.9 tp -82.44 115.65 21.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.9 mt -79.52 -59.1 2.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -157.01 149.71 23.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.826 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 50' ' ' SER . 87.0 p -107.62 45.35 1.01 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 49' ' ' SER . 1.8 t -35.93 -39.86 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -123.24 -179.65 4.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 54.7 mt -93.52 -57.53 4.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.16 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -67.08 -43.72 81.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -98.43 124.83 43.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 12.4 m0 -117.4 138.88 51.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.9 ttm-85 -91.78 109.31 20.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.458 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 30.8 m -119.8 171.35 8.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.133 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -130.27 119.26 22.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.434 ' OD1' ' C ' ' A' ' 63' ' ' HIS . 0.3 OUTLIER -64.03 172.95 2.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 36.2 ptt85 -68.1 -23.99 64.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 28.4 m-20 -73.74 -36.2 65.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.72 -9.93 5.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.491 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.434 ' C ' ' OD1' ' A' ' 59' ' ' ASP . 2.3 m170 -78.39 179.27 7.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.754 0.311 . . . . 0.0 110.845 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.458 ' CB ' ' O ' ' A' ' 57' ' ' VAL . 0.7 OUTLIER -162.91 -177.58 5.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 -179.875 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 164.68 170.54 29.77 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.461 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -85.31 107.58 17.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.908 0.385 . . . . 0.0 110.941 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.2 m -115.26 156.01 46.15 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.586 0.708 . . . . 0.0 111.172 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.491 ' HG2' ' CD1' ' A' ' 71' ' ' TYR . 53.6 Cg_endo -69.82 108.98 2.21 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.712 2.275 . . . . 0.0 112.315 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 64.4 p -42.72 -25.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.5 m -54.27 -43.62 71.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.491 ' CD1' ' HG2' ' A' ' 68' ' ' PRO . 5.4 m-85 -68.37 -45.43 72.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.434 HD13 ' CG1' ' A' ' 57' ' ' VAL . 93.2 mt -72.57 138.87 47.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.908 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.1 m -134.69 131.88 53.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -61.15 107.01 0.67 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.3 tttp -47.08 107.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.484 ' N ' ' HD2' ' A' ' 77' ' ' PRO . 1.0 OUTLIER -66.36 -60.25 7.06 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.664 0.745 . . . . 0.0 110.851 -179.883 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 76' ' ' SER . 53.7 Cg_endo -69.75 125.72 12.48 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.676 2.25 . . . . 0.0 112.308 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -133.44 133.04 41.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -47.12 110.48 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 66.7 mt -75.83 93.4 3.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -126.91 93.07 3.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.4 t -69.34 162.69 26.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.112 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -137.76 170.71 15.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.977 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -161.88 117.51 2.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 9.7 t-105 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.3 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.815 0.34 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 64.9 t -113.13 120.33 62.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -111.12 163.26 8.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.421 ' N ' HD12 ' A' ' 23' ' ' ILE . 2.2 mp -132.12 148.23 32.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.101 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.8 126.27 38.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.572 HD21 HG11 ' A' ' 73' ' ' VAL . 6.4 mt -71.55 -31.08 66.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -137.93 160.32 39.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.97 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -80.8 97.69 7.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 49.2 t80 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 -179.84 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.87 0.367 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.404 HD11 ' HB2' ' A' ' 63' ' ' HIS . 6.5 tp -118.56 142.46 47.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.05 110.13 20.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.611 ' HG ' HG11 ' A' ' 67' ' ' VAL . 90.6 mt -75.12 161.92 28.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.5 tpp180 -119.17 136.77 54.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.0 ttp85 -64.25 126.83 29.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 71.39 40.25 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -134.34 128.93 34.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.532 ' O ' ' CD1' ' A' ' 44' ' ' TYR . 14.1 mp0 -78.39 162.51 26.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.532 ' CD1' ' O ' ' A' ' 43' ' ' GLU . 58.1 m-85 -154.35 138.48 16.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 4.0 t -77.53 121.61 24.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.5 tt -75.0 108.36 7.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.481 HD11 ' HG2' ' A' ' 64' ' ' GLU . 95.2 mt -72.65 -58.55 3.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -157.91 134.58 9.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 50' ' ' SER . 58.8 p -98.49 33.4 2.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 49' ' ' SER . 41.1 t -37.47 -53.39 1.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -92.04 179.95 5.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 46.9 mt -107.43 -57.32 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.116 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -69.64 -29.27 66.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.83 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 73.1 m95 -120.54 123.33 42.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 12.6 m0 -115.22 139.8 49.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.934 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.4 ttt85 -89.42 112.87 24.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.6 m -128.27 173.2 13.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -133.74 141.28 47.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 60' ' ' ARG . 13.3 t70 -77.75 174.11 11.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.47 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 14.5 ptt180 -72.24 -21.17 61.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -89.8 -40.54 12.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 135.58 42.56 0.12 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.507 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.404 ' HB2' HD11 ' A' ' 36' ' ' LEU . 3.5 m-70 -119.77 111.08 17.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.748 0.308 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.481 ' HG2' HD11 ' A' ' 47' ' ' LEU . 3.4 mp0 -109.16 168.06 9.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 161.96 -173.73 38.33 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.427 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -93.47 127.05 38.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.915 0.388 . . . . 0.0 110.903 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.611 HG11 ' HG ' ' A' ' 38' ' ' LEU . 4.2 m -133.63 154.3 80.61 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.688 0.756 . . . . 0.0 111.091 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 104.21 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.32 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.5 p -40.63 -30.51 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.1 t -51.64 -46.44 63.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.843 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -66.66 -41.61 87.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.954 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.436 HD11 HG23 ' A' ' 67' ' ' VAL . 42.1 mt -68.7 143.32 54.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.93 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.572 HG11 HD21 ' A' ' 25' ' ' LEU . 2.1 m -138.37 144.63 29.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -75.82 115.48 15.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.7 tptt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.2 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.826 0.346 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.6 t -99.27 123.74 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -110.9 175.63 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.6 mt -143.77 142.45 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.172 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.37 131.51 34.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.075 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.807 HD21 HG11 ' A' ' 73' ' ' VAL . 9.5 mt -77.0 -34.68 57.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.456 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 1.8 m-85 -132.37 163.31 28.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -82.56 103.51 12.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.855 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 16.5 t80 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.954 -179.872 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.86 0.362 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.2 tp -110.58 142.08 42.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -95.35 106.32 18.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.078 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.487 ' HG ' HG11 ' A' ' 67' ' ' VAL . 18.2 mt -67.72 -176.31 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -143.72 144.66 31.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -62.63 129.04 38.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 31.9 m120 62.54 53.54 2.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -139.55 122.73 16.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.407 ' O ' ' CD1' ' A' ' 44' ' ' TYR . 2.5 mp0 -73.9 160.65 31.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.407 ' CD1' ' O ' ' A' ' 43' ' ' GLU . 74.0 m-85 -153.42 132.79 12.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.972 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 32.3 t -79.3 106.54 11.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.904 HD12 HG12 ' A' ' 57' ' ' VAL . 24.3 tp -60.68 126.06 26.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.41 HD11 ' HB2' ' A' ' 58' ' ' GLN . 65.6 mt -93.83 -64.61 1.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -143.86 146.2 32.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 57.1 p -116.58 45.77 1.75 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.2 p -44.64 -35.44 2.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.434 ' O ' ' CD1' ' A' ' 55' ' ' TRP . 49.9 mt-10 -118.8 176.9 5.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.867 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.2 mt -97.18 -53.34 8.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -70.83 -40.3 72.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 79.4 m95 -106.42 117.89 35.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.454 ' CD2' ' HB2' ' A' ' 69' ' ' SER . 19.8 m0 -116.75 135.83 53.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -89.9 113.62 25.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.904 HG12 HD12 ' A' ' 46' ' ' LEU . 2.9 m -128.57 177.65 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.107 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.41 ' HB2' HD11 ' A' ' 47' ' ' LEU . 17.0 tt0 -136.39 142.19 43.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -83.93 162.04 20.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -60.42 -28.84 68.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.449 ' HB3' ' CE1' ' A' ' 63' ' ' HIS . 29.6 m-20 -77.16 -38.66 51.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 129.6 30.57 0.64 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.48 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.449 ' CE1' ' HB3' ' A' ' 61' ' ' ASN . 0.7 OUTLIER -115.49 120.25 38.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.786 0.327 . . . . 0.0 110.885 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.412 ' CB ' ' O ' ' A' ' 57' ' ' VAL . 0.1 OUTLIER -120.42 179.1 4.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 160.2 -171.43 36.46 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.486 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -94.18 105.22 17.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.877 0.37 . . . . 0.0 110.962 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.487 HG11 ' HG ' ' A' ' 38' ' ' LEU . 3.3 m -116.36 152.79 48.45 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.623 0.725 . . . . 0.0 111.126 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 108.04 1.99 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.69 2.26 . . . . 0.0 112.409 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.454 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 1.8 t -44.98 -30.6 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 m -47.03 -51.38 17.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.456 ' CE2' ' HB2' ' A' ' 26' ' ' TYR . 3.1 m-85 -63.72 -39.51 94.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 59.9 mt -68.81 141.5 55.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.963 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.807 HG11 HD21 ' A' ' 25' ' ' LEU . 3.8 m -134.79 142.01 41.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -73.21 109.2 6.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.7 tttp . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 179.959 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.2 m . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.86 0.362 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 74.0 t -104.24 134.61 45.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.424 HG23 HD22 ' A' ' 72' ' ' LEU . 3.4 m -121.45 159.7 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.667 HD11 ' CD ' ' A' ' 75' ' ' LYS . 3.6 mp -125.77 146.7 31.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.117 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.45 126.44 35.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.5 mt -73.02 -31.34 64.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.464 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 4.5 m-85 -133.99 166.92 21.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -88.06 93.09 9.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.481 ' HB2' ' CD2' ' A' ' 71' ' ' TYR . 28.2 t80 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.444 ' OE1' ' N ' ' A' ' 35' ' ' GLU . 13.0 mp0 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.842 0.354 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.404 ' O ' HG12 ' A' ' 67' ' ' VAL . 6.2 tp -120.71 141.04 50.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.42 103.21 15.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 71.8 mt -63.27 160.29 16.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.945 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.6 ttt85 -118.43 145.13 45.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 25.7 ttt-85 -69.12 121.93 17.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 74.51 39.26 0.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -129.05 140.2 51.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.46 ' N ' ' OE1' ' A' ' 43' ' ' GLU . 2.6 mp0 -91.46 154.55 19.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -148.01 143.95 27.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 41.4 t -88.37 132.76 34.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.765 HD21 ' OG ' ' A' ' 49' ' ' SER . 17.6 tp -83.79 112.08 19.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.943 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.922 HD11 ' HB2' ' A' ' 58' ' ' GLN . 16.3 mt -83.11 -56.21 3.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -153.48 123.25 6.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.765 ' OG ' HD21 ' A' ' 46' ' ' LEU . 25.5 m -101.17 39.23 1.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.821 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.0 t -42.14 -52.71 4.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -88.2 163.25 16.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.895 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 22.3 mt -88.45 -53.81 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 44.0 m-70 -73.66 -35.68 65.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 67.8 m95 -108.04 122.17 46.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.448 ' NE1' ' HB3' ' A' ' 49' ' ' SER . 13.5 m0 -117.11 143.67 45.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 31.3 ttt-85 -94.82 119.42 33.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.505 HG11 ' CD1' ' A' ' 72' ' ' LEU . 29.1 m -130.84 172.29 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.922 ' HB2' HD11 ' A' ' 47' ' ' LEU . 40.0 tt0 -138.33 121.84 17.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.485 ' CG ' ' N ' ' A' ' 60' ' ' ARG . 3.4 t70 -63.79 168.35 5.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.485 ' N ' ' CG ' ' A' ' 59' ' ' ASP . 22.7 tpt180 -57.54 -37.85 73.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.854 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -73.69 -46.53 45.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 139.66 31.69 0.18 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.468 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -99.31 110.89 23.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.764 0.316 . . . . 0.0 110.844 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.489 ' HG2' HD11 ' A' ' 47' ' ' LEU . 6.1 mt-10 -106.2 164.81 11.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 160.16 153.91 7.11 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.528 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -65.33 117.93 8.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.911 0.386 . . . . 0.0 110.955 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.404 HG12 ' O ' ' A' ' 36' ' ' LEU . 1.9 m -123.07 151.19 61.21 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.649 0.738 . . . . 0.0 111.099 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 103.0 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.656 2.237 . . . . 0.0 112.314 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.3 p -39.47 -34.46 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.6 m -45.19 -48.59 12.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.481 ' CD2' ' HB2' ' A' ' 28' ' ' TYR . 3.4 m-85 -66.98 -44.96 79.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.926 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.505 ' CD1' HG11 ' A' ' 57' ' ' VAL . 76.9 mt -67.35 144.67 55.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.0 m -144.3 134.16 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -56.82 112.98 1.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.667 ' CD ' HD11 ' A' ' 23' ' ' ILE . 18.8 tptp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.7 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.814 0.34 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.4 t -100.15 136.32 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.156 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.479 HG21 HD13 ' A' ' 72' ' ' LEU . 3.0 m -128.31 153.9 38.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.3 mp -120.29 153.96 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.96 135.83 34.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.783 HD21 HG11 ' A' ' 73' ' ' VAL . 10.6 mt -84.06 -27.13 28.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.505 ' CE1' ' HB2' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -143.88 162.79 35.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.49 94.71 8.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 49.2 t80 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 -179.845 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.838 0.351 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 tp -109.21 145.76 35.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.16 109.44 21.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.417 ' HG ' HG11 ' A' ' 67' ' ' VAL . 39.7 mt -70.23 158.91 34.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.1 tpp85 -123.19 134.89 54.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.7 ttp180 -62.13 125.53 24.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 73.6 54.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -147.49 135.77 21.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -87.04 154.13 21.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -148.57 129.48 14.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 49.3 t -74.01 123.52 24.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.855 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 59.7 tp -74.18 101.72 4.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 80.8 mt -66.9 -67.19 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -144.65 146.45 32.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.7 p -110.32 36.71 2.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 26.2 t -38.24 -42.03 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -109.84 -178.05 3.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 83.9 mt -107.04 -47.7 8.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.09 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -75.98 -43.59 43.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 46.5 m95 -107.98 123.73 49.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 17.7 m0 -116.27 155.21 28.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -101.54 116.54 32.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.2 m -133.38 167.82 25.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -130.09 140.68 50.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -81.78 166.89 19.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 46.6 ttt-85 -58.58 -37.32 75.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -72.04 -49.64 35.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 143.89 33.07 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.469 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -111.02 120.33 42.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.801 0.334 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.445 ' OE1' ' C ' ' A' ' 64' ' ' GLU . 0.4 OUTLIER -124.94 168.85 12.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.878 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 166.25 -170.91 41.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.517 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -92.61 114.15 26.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.948 0.404 . . . . 0.0 110.892 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.417 HG11 ' HG ' ' A' ' 38' ' ' LEU . 3.5 m -123.23 154.15 65.21 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.626 0.726 . . . . 0.0 111.137 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.7 108.16 2.01 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.684 2.256 . . . . 0.0 112.321 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 94.8 p -41.56 -41.77 2.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.86 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.3 m -41.09 -51.77 3.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.789 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.48 ' CE2' ' HB2' ' A' ' 26' ' ' TYR . 7.0 m-85 -59.26 -37.99 78.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.479 HD13 HG21 ' A' ' 22' ' ' VAL . 59.1 mt -77.09 142.4 39.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.918 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.783 HG11 HD21 ' A' ' 25' ' ' LEU . 2.0 m -137.71 141.32 39.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.111 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -66.01 109.17 2.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.1 ttpt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.92 179.937 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.3 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.856 0.36 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 85.9 t -93.48 134.21 31.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.4 m -125.56 153.11 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.839 HD11 ' HB2' ' A' ' 75' ' ' LYS . 2.0 mp -118.12 140.86 39.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.102 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.51 128.09 35.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.068 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.487 HD21 HG11 ' A' ' 73' ' ' VAL . 10.3 mt -68.51 -44.57 74.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -124.71 169.5 11.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -87.94 98.92 11.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 33.1 t80 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.864 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.881 0.372 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.415 ' HG ' ' N ' ' A' ' 37' ' ' ALA . 10.0 tp -133.92 149.87 51.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.928 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.415 ' N ' ' HG ' ' A' ' 36' ' ' LEU . . . -96.76 112.84 24.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.082 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.53 ' HG ' HG11 ' A' ' 67' ' ' VAL . 62.9 mt -80.6 175.94 10.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.466 ' HB3' ' CG ' ' A' ' 42' ' ' GLU . 23.5 ttt85 -135.49 149.8 49.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 56.3 ttt180 -70.11 131.19 43.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 64.73 37.83 7.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.466 ' CG ' ' HB3' ' A' ' 39' ' ' ARG . 32.1 mm-40 -127.91 119.99 26.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -76.16 154.01 35.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.421 ' CE1' ' O ' ' A' ' 42' ' ' GLU . 78.4 m-85 -141.62 130.2 22.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 38.3 t -72.58 109.37 6.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.664 HD11 ' CE3' ' A' ' 55' ' ' TRP . 3.0 tt -67.62 120.32 13.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.442 HD12 ' HG2' ' A' ' 56' ' ' ARG . 18.0 mt -85.71 -59.03 2.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -145.07 143.41 30.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 80.9 p -113.54 38.77 2.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.4 t -44.61 -57.47 3.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.812 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -90.46 -176.97 4.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 74.8 mt -108.22 -62.42 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.133 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -60.01 -39.77 86.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 45.9 m95 -112.98 125.59 54.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.664 ' CE3' HD11 ' A' ' 46' ' ' LEU . 10.5 m0 -119.15 150.91 39.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.442 ' HG2' HD12 ' A' ' 47' ' ' LEU . 54.4 ttt180 -96.59 109.71 22.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.813 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.443 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 13.6 m -126.43 174.92 9.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -140.07 128.95 23.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -69.06 164.65 21.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.64 -8.84 38.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -93.44 -46.67 7.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 140.26 32.71 0.15 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.47 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -120.28 121.78 39.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.78 0.324 . . . . 0.0 110.833 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.443 ' CB ' ' O ' ' A' ' 57' ' ' VAL . 0.2 OUTLIER -125.43 159.59 31.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 175.41 -164.02 34.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -97.29 110.67 23.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.947 0.403 . . . . 0.0 110.918 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.53 HG11 ' HG ' ' A' ' 38' ' ' LEU . 1.7 m -118.48 153.13 51.83 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.651 0.739 . . . . 0.0 111.123 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 107.67 1.91 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.674 2.25 . . . . 0.0 112.349 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.3 p -43.14 -35.08 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.9 m -44.96 -42.07 7.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -74.2 -42.93 59.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.6 mt -68.09 143.51 55.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.487 HG11 HD21 ' A' ' 25' ' ' LEU . 2.4 m -139.31 140.46 37.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -74.53 110.52 8.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.839 ' HB2' HD11 ' A' ' 23' ' ' ILE . 13.3 tttp . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.4 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.824 0.345 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.2 t -113.77 136.03 51.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.584 ' CG2' HD22 ' A' ' 72' ' ' LEU . 4.5 m -124.82 168.81 16.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.176 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.3 mt -130.01 149.08 33.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.01 119.64 32.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.077 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.645 HD21 HG11 ' A' ' 73' ' ' VAL . 9.1 mt -66.29 -39.92 89.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -130.71 152.45 50.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -73.68 95.8 2.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.836 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 74.2 t80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 -179.842 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.861 0.362 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.7 tp -114.75 145.12 42.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -96.46 104.38 16.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.729 ' HG ' HG11 ' A' ' 67' ' ' VAL . 61.7 mt -59.63 163.76 4.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -121.32 129.3 53.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -60.48 129.51 41.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 64.95 51.8 1.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -145.16 136.09 24.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -78.65 153.17 31.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -148.79 127.56 12.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.942 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 49.0 t -76.43 133.57 39.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 27.1 tp -81.55 106.74 13.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.656 HD12 ' HG2' ' A' ' 56' ' ' ARG . 62.5 mt -68.21 -57.24 6.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -156.68 138.95 14.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 78.0 p -101.77 37.85 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.7 p -45.1 -48.23 12.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -103.51 -178.31 3.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 86.8 mt -110.57 -49.46 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -71.3 -44.41 65.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 62.0 m95 -112.9 118.59 35.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 16.7 m0 -108.27 158.6 17.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.656 ' HG2' HD12 ' A' ' 47' ' ' LEU . 34.4 ttt180 -103.63 115.32 30.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.876 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.1 m -130.63 171.17 18.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -137.69 136.03 37.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.424 ' CG ' ' N ' ' A' ' 60' ' ' ARG . 11.9 t70 -76.27 166.72 23.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.424 ' N ' ' CG ' ' A' ' 59' ' ' ASP . 7.2 ptt180 -63.95 -26.63 68.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -75.96 -51.03 13.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 142.2 34.04 0.1 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -119.11 125.26 48.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.716 0.293 . . . . 0.0 110.844 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -125.26 178.51 5.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 163.17 -143.8 8.98 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.483 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -120.87 126.8 50.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.919 0.39 . . . . 0.0 110.9 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.729 HG11 ' HG ' ' A' ' 38' ' ' LEU . 4.6 m -137.1 153.38 75.1 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.624 0.726 . . . . 0.0 111.103 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 110.8 2.64 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.706 2.271 . . . . 0.0 112.335 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 85.3 p -43.85 -37.42 2.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 71.7 m -42.39 -42.6 3.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -71.7 -37.98 70.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.584 HD22 ' CG2' ' A' ' 22' ' ' VAL . 81.8 mt -70.76 133.3 46.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.645 HG11 HD21 ' A' ' 25' ' ' LEU . 2.0 m -127.02 132.67 69.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -64.65 106.88 1.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 67.0 tttt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.9 179.951 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.3 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.795 0.331 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 43' ' ' GLU . 54.7 t -119.43 141.27 40.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.102 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.411 ' CG2' HD22 ' A' ' 72' ' ' LEU . 1.6 m -125.71 158.53 34.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.118 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.2 mt -125.3 141.35 45.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.98 127.31 34.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.133 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.577 HD21 HG11 ' A' ' 73' ' ' VAL . 17.8 mt -73.91 -37.66 64.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -129.03 142.21 50.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 27' ' ' ASP . 7.3 p-10 -62.65 92.05 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.452 ' HB2' ' CD2' ' A' ' 71' ' ' TYR . 63.3 t80 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.887 0.375 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.465 ' HG ' ' N ' ' A' ' 37' ' ' ALA . 7.3 tp -122.6 150.82 42.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.465 ' N ' ' HG ' ' A' ' 36' ' ' LEU . . . -95.1 109.45 21.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.5 mt -77.99 162.87 26.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.94 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -117.54 137.82 52.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.1 ttm180 -61.51 127.94 33.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 63.29 53.45 2.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -142.94 133.11 24.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.563 ' O ' ' CD1' ' A' ' 44' ' ' TYR . 17.2 mp0 -80.43 163.36 23.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.937 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.563 ' CD1' ' O ' ' A' ' 43' ' ' GLU . 41.1 m-85 -152.66 149.97 28.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.983 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.7 p -97.07 102.02 13.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.6 tp -55.13 131.93 46.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.566 HD11 ' HB2' ' A' ' 58' ' ' GLN . 89.6 mt -95.7 -52.26 4.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -147.4 148.57 31.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.4 p -124.39 38.95 4.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.3 t -54.63 -45.25 73.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -96.85 163.61 12.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 40.1 mt -95.12 -56.37 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.096 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 33.9 m-70 -67.98 -39.26 83.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 70.3 m95 -107.67 123.76 48.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 8.6 m0 -117.22 142.8 46.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.935 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -101.37 110.21 22.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.451 HG11 HD13 ' A' ' 72' ' ' LEU . 16.3 m -123.0 164.62 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.156 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.566 ' HB2' HD11 ' A' ' 47' ' ' LEU . 37.5 tt0 -116.47 129.0 55.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.548 ' HA ' ' CD2' ' A' ' 44' ' ' TYR . 31.1 t70 -66.91 169.4 8.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' A' ' 61' ' ' ASN . 8.9 ptt-85 -68.71 -33.85 74.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.407 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 35.0 m-20 -69.54 -50.95 40.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 145.56 33.75 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.468 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.412 ' C ' ' HG3' ' A' ' 64' ' ' GLU . 2.5 m-70 -111.82 174.17 6.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.728 0.299 . . . . 0.0 110.836 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.412 ' HG3' ' C ' ' A' ' 63' ' ' HIS . 9.1 mt-10 -156.3 171.53 20.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 156.69 152.14 6.19 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.548 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -67.36 127.08 31.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.883 0.373 . . . . 0.0 110.929 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.2 m -132.81 154.78 81.57 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.655 0.74 . . . . 0.0 111.156 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 107.39 1.84 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.726 2.284 . . . . 0.0 112.371 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.3 p -40.74 -30.43 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.846 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.8 m -48.84 -49.92 36.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.452 ' CD2' ' HB2' ' A' ' 28' ' ' TYR . 3.2 m-85 -64.89 -43.32 93.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.451 HD13 HG11 ' A' ' 57' ' ' VAL . 94.3 mt -73.08 141.27 47.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.577 HG11 HD21 ' A' ' 25' ' ' LEU . 2.1 m -133.87 133.03 56.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.088 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -66.25 105.06 1.31 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 54.6 tttt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.948 179.962 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 58.6 m . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.839 0.352 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 72.5 t -123.7 125.83 71.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.0 m -116.84 154.7 18.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.578 HD11 ' HB2' ' A' ' 75' ' ' LYS . 3.9 mp -118.34 147.82 21.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.32 117.45 30.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.3 mt -61.99 -29.87 70.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.478 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 1.3 m-85 -139.11 170.56 15.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.415 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 17.2 p-10 -92.19 92.05 8.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 51.2 t80 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 -179.783 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.868 0.366 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.3 tp -117.59 141.91 47.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.962 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.54 106.22 18.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.069 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.589 ' HG ' HG11 ' A' ' 67' ' ' VAL . 82.5 mt -65.99 163.57 16.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -123.66 143.56 50.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -63.64 136.25 57.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 56.77 50.53 12.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -139.02 126.25 21.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -75.37 151.88 38.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -148.04 138.15 22.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.8 m -84.29 137.59 33.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.425 HD21 ' HB3' ' A' ' 49' ' ' SER . 61.1 tp -87.88 101.34 13.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.552 HD11 ' HB2' ' A' ' 58' ' ' GLN . 88.1 mt -68.61 -66.94 0.51 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -135.59 132.26 36.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.425 ' HB3' HD21 ' A' ' 46' ' ' LEU . 60.6 p -106.84 29.69 6.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 26.1 t -41.66 -59.07 1.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.826 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.15 -179.04 6.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.4 mt -109.84 -53.87 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.119 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -74.14 -33.58 63.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 70.3 m95 -113.31 122.58 47.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 14.9 m0 -118.09 143.32 46.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -91.74 113.93 26.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 33.1 m -120.97 172.74 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.552 ' HB2' HD11 ' A' ' 47' ' ' LEU . 6.1 tt0 -134.81 120.51 19.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.535 ' CG ' ' N ' ' A' ' 60' ' ' ARG . 0.6 OUTLIER -63.4 170.13 3.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.535 ' N ' ' CG ' ' A' ' 59' ' ' ASP . 25.7 tpt85 -63.8 -41.5 97.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -68.34 -49.6 59.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 144.32 33.28 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -107.21 116.88 32.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.724 0.297 . . . . 0.0 110.821 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.483 ' HG2' HD11 ' A' ' 47' ' ' LEU . 4.1 mp0 -109.42 175.56 5.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 153.44 -175.17 31.93 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.526 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -94.38 131.42 40.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.945 0.402 . . . . 0.0 110.876 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.589 HG11 ' HG ' ' A' ' 38' ' ' LEU . 3.7 m -136.7 151.44 72.61 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.61 0.719 . . . . 0.0 111.134 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 105.04 1.42 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.677 2.251 . . . . 0.0 112.367 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 84.6 p -40.77 -30.17 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -49.06 -46.85 45.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.846 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.478 ' CE2' ' HB2' ' A' ' 26' ' ' TYR . 3.6 m-85 -68.35 -41.38 80.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.95 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.401 HD11 HG23 ' A' ' 67' ' ' VAL . 48.7 mt -68.54 143.19 55.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.942 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.407 HG22 ' HB ' ' A' ' 23' ' ' ILE . 2.0 m -142.93 134.13 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -64.61 119.34 10.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.578 ' HB2' HD11 ' A' ' 23' ' ' ILE . 81.1 tttt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.5 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.805 0.336 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -93.9 121.32 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.0 m -114.03 155.54 15.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.498 HD11 ' HD3' ' A' ' 75' ' ' LYS . 32.7 mt -121.57 145.03 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.171 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.74 148.05 24.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.856 HD21 HG11 ' A' ' 73' ' ' VAL . 15.7 mt -94.93 -34.26 12.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.564 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 4.1 m-85 -131.17 149.46 52.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -72.72 92.61 1.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 65.3 t80 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.848 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.856 0.36 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.471 ' HG ' ' N ' ' A' ' 37' ' ' ALA . 23.7 tp -123.47 156.74 34.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.471 ' N ' ' HG ' ' A' ' 36' ' ' LEU . . . -102.78 102.84 13.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.427 ' HG ' HG11 ' A' ' 67' ' ' VAL . 41.2 mt -69.54 154.26 42.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -110.97 140.03 45.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 17.6 ttp180 -62.74 127.39 31.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 35.3 m-20 60.03 52.23 5.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.868 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -136.36 137.47 40.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.492 ' O ' ' CD1' ' A' ' 44' ' ' TYR . 74.3 mt-10 -79.96 157.62 26.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.492 ' CD1' ' O ' ' A' ' 43' ' ' GLU . 36.1 m-85 -150.11 150.87 32.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.893 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 50.9 t -94.92 120.55 35.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.448 ' HA ' HG12 ' A' ' 57' ' ' VAL . 25.4 tp -76.88 99.21 5.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.71 HD11 ' HB2' ' A' ' 58' ' ' GLN . 11.5 mt -67.52 -63.81 0.98 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -134.33 148.6 50.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 91.2 p -123.8 38.66 4.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.2 t -47.61 -52.73 16.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -94.48 -178.02 4.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 52.4 mt -112.85 -46.81 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -74.17 -31.57 62.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.82 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -119.98 117.21 27.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 9.3 m0 -110.69 146.91 35.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.9 ttt85 -101.59 113.13 25.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.448 HG12 ' HA ' ' A' ' 46' ' ' LEU . 11.0 m -125.44 170.89 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.163 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.71 ' HB2' HD11 ' A' ' 47' ' ' LEU . 20.4 tt0 -123.75 115.88 22.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.439 ' OD1' HD11 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -58.49 168.89 1.01 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 47.4 ptt85 -64.18 -18.72 64.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -77.39 -40.28 44.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.86 -4.05 5.7 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.533 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -85.08 165.7 17.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.784 0.326 . . . . 0.0 110.843 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.406 ' HG2' HD11 ' A' ' 47' ' ' LEU . 10.2 mt-10 -140.13 176.03 9.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 165.86 170.3 30.6 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.485 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -85.0 106.87 16.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.872 0.368 . . . . 0.0 110.899 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.427 HG11 ' HG ' ' A' ' 38' ' ' LEU . 7.3 m -111.67 153.37 44.35 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.642 0.734 . . . . 0.0 111.078 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 115.53 4.14 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.712 2.274 . . . . 0.0 112.361 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 75.5 p -51.37 -34.48 34.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.6 p -49.6 -42.08 43.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 26' ' ' TYR . 3.1 m-85 -70.32 -45.23 66.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.917 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 96.2 mt -69.58 138.44 53.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.856 HG11 HD21 ' A' ' 25' ' ' LEU . 2.2 m -131.51 145.24 35.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -71.4 110.72 6.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.498 ' HD3' HD11 ' A' ' 23' ' ' ILE . 35.0 tptt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 61.3 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.823 0.344 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.7 t -97.6 138.83 21.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.815 ' CG2' HD22 ' A' ' 72' ' ' LEU . 16.5 m -124.39 170.71 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.437 HD11 ' CD ' ' A' ' 75' ' ' LYS . 13.7 mt -135.64 145.1 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.099 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 39' ' ' ARG . . . -89.67 125.36 35.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.043 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.1 mt -76.21 -28.45 57.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -135.16 155.53 50.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.442 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 7.8 p-10 -81.74 93.45 6.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.543 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 88.2 t80 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.937 0.398 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.9 tp -134.87 143.98 47.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -88.96 101.97 14.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.067 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.541 ' HG ' HG11 ' A' ' 67' ' ' VAL . 11.8 mt -64.48 143.03 58.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.952 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.545 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 11.2 tpt180 -99.69 139.28 35.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.512 ' O ' ' ND2' ' A' ' 41' ' ' ASN . 10.8 ttp-105 -63.47 147.42 51.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.512 ' ND2' ' O ' ' A' ' 40' ' ' ARG . 0.4 OUTLIER 42.15 49.54 4.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -135.2 140.6 45.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.466 ' O ' ' CD2' ' A' ' 44' ' ' TYR . 35.1 mt-10 -77.82 162.89 26.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.466 ' CD2' ' O ' ' A' ' 43' ' ' GLU . 59.2 m-85 -158.18 127.95 5.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.967 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 21.4 t -81.37 119.17 23.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.612 HD12 HG12 ' A' ' 57' ' ' VAL . 23.6 tp -70.65 126.02 28.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.487 HD11 ' HB2' ' A' ' 58' ' ' GLN . 63.9 mt -93.16 -58.21 2.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.43 147.97 37.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.3 p -123.79 33.62 5.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.2 t -52.59 -37.64 58.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -100.95 178.6 4.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 65.6 mt -110.43 -60.41 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.184 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -63.56 -46.77 84.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 67.9 m95 -103.34 112.82 25.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 11.8 m0 -105.55 141.4 37.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.922 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 38.5 ttt-85 -94.27 123.7 37.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.612 HG12 HD12 ' A' ' 46' ' ' LEU . 4.5 m -139.92 173.32 10.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.487 ' HB2' HD11 ' A' ' 47' ' ' LEU . 30.2 tt0 -131.21 135.21 47.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -78.28 171.68 14.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.0 -30.37 67.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -71.12 -42.22 69.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 133.56 28.16 0.53 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.512 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -107.89 167.28 10.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.764 0.316 . . . . 0.0 110.831 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -162.74 168.8 20.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 162.24 170.52 27.14 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.469 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -75.99 115.4 15.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.94 0.4 . . . . 0.0 110.939 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.541 HG11 ' HG ' ' A' ' 38' ' ' LEU . 4.6 m -126.15 153.88 74.26 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.584 0.707 . . . . 0.0 111.136 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 112.49 3.09 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.709 2.273 . . . . 0.0 112.352 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.9 p -48.09 -23.48 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.6 m -55.64 -43.24 76.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.543 ' CE2' ' HB2' ' A' ' 28' ' ' TYR . 3.1 m-85 -68.96 -43.64 74.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.815 HD22 ' CG2' ' A' ' 22' ' ' VAL . 98.6 mt -67.71 149.1 50.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.0 m -148.47 135.02 12.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.161 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -65.0 119.24 10.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.437 ' CD ' HD11 ' A' ' 23' ' ' ILE . 14.1 tptp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.7 m . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 120.862 0.363 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.454 ' CG1' ' HB3' ' A' ' 43' ' ' GLU . 93.2 t -97.1 122.61 48.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.152 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.7 m -110.71 164.07 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.424 ' HB ' HG22 ' A' ' 73' ' ' VAL . 15.8 mt -128.33 148.56 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.97 129.8 40.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.103 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.479 HD21 HG11 ' A' ' 73' ' ' VAL . 8.7 mt -77.49 -38.77 48.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.42 ' CD1' ' HB2' ' A' ' 25' ' ' LEU . 1.3 m-85 -127.84 158.77 36.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -79.59 104.24 10.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.924 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 33.8 t80 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.816 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.908 0.385 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.8 tp -113.07 145.96 39.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.77 100.31 12.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.675 ' HG ' HG11 ' A' ' 67' ' ' VAL . 79.8 mt -62.08 157.31 19.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.936 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -116.4 134.17 55.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.5 ttp180 -59.93 130.62 47.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.7 m120 63.28 53.69 2.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -146.64 128.54 15.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.57 ' O ' ' CD1' ' A' ' 44' ' ' TYR . 4.7 mp0 -74.4 166.71 23.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.57 ' CD1' ' O ' ' A' ' 43' ' ' GLU . 71.9 m-85 -156.89 138.4 13.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.959 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 2.4 t -86.43 112.64 21.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.567 HD12 HG12 ' A' ' 57' ' ' VAL . 48.6 tp -61.86 134.26 56.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.466 HD11 ' HB2' ' A' ' 58' ' ' GLN . 98.0 mt -102.34 -63.97 1.11 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -137.41 148.24 46.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.9 p -122.3 46.38 2.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.4 t -62.78 -49.3 75.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.854 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -92.29 165.81 12.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 37.1 mt -94.85 -57.46 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 46.4 m-70 -68.89 -37.4 78.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 75.3 m95 -107.52 124.79 50.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -117.76 140.54 49.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -93.67 111.53 23.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.567 HG12 HD12 ' A' ' 46' ' ' LEU . 11.4 m -130.38 169.14 21.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.466 ' HB2' HD11 ' A' ' 47' ' ' LEU . 22.7 tt0 -124.46 151.09 44.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.458 ' CG ' ' N ' ' A' ' 60' ' ' ARG . 3.7 t70 -90.12 167.23 12.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.458 ' N ' ' CG ' ' A' ' 59' ' ' ASP . 34.5 ttt180 -59.28 -38.02 79.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -70.51 -45.84 64.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 138.97 31.5 0.2 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.487 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -114.01 120.91 42.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.727 0.299 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -119.7 173.04 7.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 166.69 -161.59 35.34 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.488 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -102.21 123.69 46.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.891 0.376 . . . . 0.0 110.952 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.675 HG11 ' HG ' ' A' ' 38' ' ' LEU . 10.9 m -136.12 151.94 74.49 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.631 0.729 . . . . 0.0 111.122 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 113.87 3.51 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.72 2.28 . . . . 0.0 112.348 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 96.6 p -44.77 -36.27 3.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.869 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 73.4 m -43.91 -45.32 7.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.879 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -69.78 -42.65 73.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.931 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 89.2 mt -68.77 142.32 54.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.479 HG11 HD21 ' A' ' 25' ' ' LEU . 2.8 m -137.54 135.99 46.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.149 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -64.8 109.05 1.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.1 tttt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.913 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.2 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.817 0.341 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.546 HG11 ' OE2' ' A' ' 43' ' ' GLU . 59.1 t -90.12 132.58 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.14 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.6 m -126.54 144.5 36.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 15.7 mt -113.56 144.79 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.46 128.39 35.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.096 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.544 HD21 HG11 ' A' ' 73' ' ' VAL . 10.2 mt -71.39 -36.31 71.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.493 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 4.2 m-85 -126.38 177.19 6.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -96.63 108.49 21.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.9 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 90.7 t80 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.844 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.878 0.37 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.935 HD21 ' OD1' ' A' ' 59' ' ' ASP . 58.5 tp -101.22 149.95 23.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -98.98 122.93 42.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.1 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.434 ' HG ' HG11 ' A' ' 67' ' ' VAL . 46.9 mt -91.33 178.29 6.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -139.35 138.62 36.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -66.36 122.4 17.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 72.75 47.33 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -140.14 140.87 36.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.546 ' OE2' HG11 ' A' ' 21' ' ' VAL . 34.7 mt-10 -85.0 152.94 23.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.456 ' CD1' ' C ' ' A' ' 43' ' ' GLU . 60.5 m-85 -151.41 127.76 10.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 2.4 t -73.43 137.21 44.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.51 ' HA ' HG12 ' A' ' 57' ' ' VAL . 39.8 tp -88.14 108.64 19.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.648 HD11 ' HG2' ' A' ' 64' ' ' GLU . 70.2 mt -68.94 -69.23 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -129.29 160.65 32.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 90.5 p -128.47 34.18 4.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 64.4 p -47.07 -43.97 20.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.857 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -107.19 -177.32 3.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 85.9 mt -110.9 -55.89 4.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -68.95 -37.36 78.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 69.3 m95 -114.12 107.81 16.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -104.0 157.34 17.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 42.6 ttt180 -103.82 119.13 38.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.51 HG12 ' HA ' ' A' ' 46' ' ' LEU . 29.4 m -129.39 177.74 6.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.493 ' HB2' HD11 ' A' ' 47' ' ' LEU . 35.6 tt0 -135.1 112.63 10.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.935 ' OD1' HD21 ' A' ' 36' ' ' LEU . 57.5 m-20 -58.75 148.6 29.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.87 -18.67 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -78.8 -49.31 13.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 135.53 29.55 0.37 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.493 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.446 ' O ' HD13 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -119.7 123.49 43.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.771 0.319 . . . . 0.0 110.862 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.648 ' HG2' HD11 ' A' ' 47' ' ' LEU . 3.7 mt-10 -105.87 169.09 8.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 168.49 -164.95 38.47 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -107.06 124.02 49.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.906 0.384 . . . . 0.0 110.97 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.434 HG11 ' HG ' ' A' ' 38' ' ' LEU . 1.6 m -130.76 154.28 81.8 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.602 0.715 . . . . 0.0 111.165 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 109.54 2.34 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.656 2.238 . . . . 0.0 112.311 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.4 p -43.59 -33.82 1.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 40.1 t -44.69 -52.61 8.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.85 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.493 ' CE2' ' HB2' ' A' ' 26' ' ' TYR . 3.4 m-85 -61.07 -44.71 96.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.38 150.68 47.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.544 HG11 HD21 ' A' ' 25' ' ' LEU . 2.0 m -148.6 131.84 7.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -67.17 111.94 4.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.5 tptt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.8 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.794 0.33 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.0 t -105.31 130.31 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.13 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.401 HG21 HD13 ' A' ' 72' ' ' LEU . 28.8 m -118.47 164.23 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.191 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.3 mt -134.52 142.1 41.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 39' ' ' ARG . . . -88.84 128.57 35.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.4 mt -72.69 -36.06 67.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -124.97 152.54 44.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.957 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -77.52 94.96 4.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 41.6 t80 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.826 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.883 0.373 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.3 tp -118.32 147.46 43.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.68 103.21 13.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.581 ' HG ' HG11 ' A' ' 67' ' ' VAL . 41.5 mt -75.0 150.21 39.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.476 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -107.01 147.55 29.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.476 ' N ' ' HD3' ' A' ' 39' ' ' ARG . 41.9 ttt180 -62.2 140.94 58.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 38.72 50.39 1.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.583 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 13.5 tp10 -122.98 146.34 47.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -82.24 151.29 26.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.583 ' CE2' ' HG3' ' A' ' 42' ' ' GLU . 58.8 m-85 -152.04 129.22 11.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 2.4 p -83.08 117.91 23.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.53 HD12 ' O ' ' A' ' 56' ' ' ARG . 48.5 tp -69.04 130.56 43.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.713 HD11 ' HB2' ' A' ' 58' ' ' GLN . 71.4 mt -96.84 -60.61 1.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -149.74 126.78 11.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.804 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.6 m -105.76 37.31 2.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 m -42.6 -41.42 3.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -97.64 -177.04 3.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 72.4 mt -109.39 -52.25 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.105 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -72.25 -38.85 68.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 52.7 m95 -109.06 115.27 29.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 8.7 m0 -110.9 131.0 55.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.952 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.53 ' O ' HD12 ' A' ' 46' ' ' LEU . 25.0 ttp180 -82.31 116.56 21.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.843 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 19.2 m -127.54 172.69 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.713 ' HB2' HD11 ' A' ' 47' ' ' LEU . 14.6 tt0 -137.68 138.85 39.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -78.29 162.23 26.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -59.27 -28.37 66.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -79.7 -50.25 10.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 145.93 34.5 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.518 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -109.81 119.14 38.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.485 ' HG2' HD11 ' A' ' 47' ' ' LEU . 3.6 mt-10 -110.81 179.32 4.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 147.78 167.66 13.54 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.469 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -85.57 136.51 33.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.899 0.381 . . . . 0.0 110.929 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.581 HG11 ' HG ' ' A' ' 38' ' ' LEU . 3.4 m -144.72 155.3 56.37 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.599 0.714 . . . . 0.0 111.15 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 109.82 2.4 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.5 p -42.64 -37.32 1.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.787 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.3 p -41.66 -44.2 3.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -68.96 -45.17 71.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.401 HD13 HG21 ' A' ' 22' ' ' VAL . 66.9 mt -68.75 148.89 49.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.4 m -145.04 133.35 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -63.98 110.24 2.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.5 tttp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.969 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 50.5 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.818 0.342 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.535 HG13 ' HB3' ' A' ' 43' ' ' GLU . 63.9 t -84.64 120.79 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.609 HG21 HD13 ' A' ' 72' ' ' LEU . 15.8 m -113.68 152.76 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.523 ' N ' HD12 ' A' ' 23' ' ' ILE . 2.8 mp -118.8 144.77 26.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.47 133.26 35.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.67 HD21 HG11 ' A' ' 73' ' ' VAL . 7.4 mt -80.92 -31.06 35.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.409 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 1.7 m-85 -136.99 157.06 47.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -78.14 107.14 10.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 53.7 t80 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 -179.817 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.893 0.378 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.468 ' HG ' ' N ' ' A' ' 37' ' ' ALA . 6.2 tp -101.78 150.01 23.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.468 ' N ' ' HG ' ' A' ' 36' ' ' LEU . . . -98.09 103.51 15.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.084 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.709 ' HG ' HG11 ' A' ' 67' ' ' VAL . 37.0 mt -64.87 162.36 16.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.909 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.8 tpp180 -119.62 144.5 47.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.6 ttp85 -67.79 133.67 49.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 60.31 51.25 5.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -140.03 143.25 36.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.535 ' HB3' HG13 ' A' ' 21' ' ' VAL . 17.6 mp0 -92.74 157.18 16.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.502 ' CD1' ' C ' ' A' ' 43' ' ' GLU . 26.7 m-85 -148.31 147.22 29.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.943 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 53.9 t -89.96 119.19 30.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.683 ' HA ' HG12 ' A' ' 57' ' ' VAL . 57.9 tp -72.14 119.5 16.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.721 HD11 ' HB2' ' A' ' 58' ' ' GLN . 10.5 mt -92.9 -66.5 0.92 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -132.7 119.64 20.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.815 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 88.7 p -101.85 29.18 5.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 55.6 m -40.47 -57.73 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -81.55 -179.2 7.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.8 mt -112.42 -49.23 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -77.9 -32.23 51.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 80.8 m95 -116.07 108.07 15.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 14.6 m0 -104.91 144.01 32.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 45.6 ttt180 -100.4 113.37 26.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.683 HG12 ' HA ' ' A' ' 46' ' ' LEU . 18.0 m -131.81 166.91 27.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.096 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.721 ' HB2' HD11 ' A' ' 47' ' ' LEU . 13.6 tt0 -119.14 127.9 53.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.28 -179.05 2.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 32.5 ptt180 -72.5 -23.69 61.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -71.6 -40.95 69.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 126.82 9.37 4.34 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.518 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -98.93 169.06 9.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.77 0.319 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -142.93 173.02 11.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 168.13 154.84 9.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.509 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -70.48 100.93 1.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 0.0 110.931 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.709 HG11 ' HG ' ' A' ' 38' ' ' LEU . 3.3 m -105.47 150.72 39.31 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.614 0.721 . . . . 0.0 111.117 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 104.1 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.653 2.236 . . . . 0.0 112.337 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 70' ' ' SER . 60.8 p -39.57 -45.62 1.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 69' ' ' SER . 37.5 m -36.38 -48.29 0.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.409 ' CE2' ' HB2' ' A' ' 26' ' ' TYR . 2.8 m-85 -64.69 -45.87 84.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.953 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.609 HD13 HG21 ' A' ' 22' ' ' VAL . 65.0 mt -69.93 140.87 53.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.67 HG11 HD21 ' A' ' 25' ' ' LEU . 3.9 m -132.46 137.17 54.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.14 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -67.6 111.31 4.11 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 21.4 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.816 0.341 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 88.0 t -118.1 124.91 73.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.084 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.5 m -115.65 166.77 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.425 ' N ' HD12 ' A' ' 23' ' ' ILE . 2.7 mp -132.52 145.86 33.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.143 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.57 109.72 21.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.458 HD21 HG11 ' A' ' 73' ' ' VAL . 16.1 mt -55.32 -41.27 72.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -125.88 160.63 29.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -81.01 102.76 10.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.858 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 85.7 t80 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.913 -179.786 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.897 0.38 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.438 ' HG ' ' N ' ' A' ' 37' ' ' ALA . 12.4 tp -138.67 151.71 47.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.438 ' N ' ' HG ' ' A' ' 36' ' ' LEU . . . -103.01 109.43 20.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.621 ' HG ' HG11 ' A' ' 67' ' ' VAL . 91.1 mt -79.0 157.84 28.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.943 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.9 ttt85 -111.65 142.68 43.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.424 ' NH1' ' HB2' ' A' ' 40' ' ' ARG . 22.1 ttm105 -67.33 127.38 32.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 71.36 38.35 1.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -128.76 138.63 52.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -90.36 153.3 20.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.461 ' CD2' ' HA ' ' A' ' 59' ' ' ASP . 57.1 m-85 -143.52 163.45 33.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 2.7 t -105.41 116.08 31.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.8 tp -67.23 106.84 2.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.617 HD11 ' HG2' ' A' ' 64' ' ' GLU . 27.3 mt -70.03 -62.46 1.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -145.32 147.75 32.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 45.5 p -112.5 31.33 6.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.1 t -38.92 -47.08 1.39 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -104.45 -179.11 3.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 81.6 mt -108.5 -56.42 4.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.127 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -66.52 -28.42 68.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -121.72 123.97 43.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 19.7 m0 -117.36 148.39 41.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 60.1 ttt180 -98.07 126.32 43.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.3 m -135.41 172.44 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -135.27 108.68 7.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.461 ' HA ' ' CD2' ' A' ' 44' ' ' TYR . 29.5 t70 -47.54 168.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -65.49 -34.38 78.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -73.19 -50.12 24.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 144.67 37.13 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -111.25 120.81 43.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.794 0.331 . . . . 0.0 110.842 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.617 ' HG2' HD11 ' A' ' 47' ' ' LEU . 17.0 mt-10 -108.63 169.03 8.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 159.95 -175.67 36.75 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.528 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -101.08 122.95 44.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.927 0.394 . . . . 0.0 110.913 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.621 HG11 ' HG ' ' A' ' 38' ' ' LEU . 6.6 m -128.01 153.75 78.4 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.646 0.736 . . . . 0.0 111.138 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.413 ' HG2' ' CD1' ' A' ' 71' ' ' TYR . 54.1 Cg_endo -69.69 112.12 2.98 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.708 2.272 . . . . 0.0 112.366 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 81.8 p -44.83 -34.25 2.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 31.8 m -45.59 -40.25 8.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.848 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.413 ' CD1' ' HG2' ' A' ' 68' ' ' PRO . 6.1 m-85 -73.44 -43.2 60.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.989 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 92.2 mt -70.67 142.49 51.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.458 HG11 HD21 ' A' ' 25' ' ' LEU . 2.1 m -141.12 134.77 31.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.128 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -64.7 114.92 4.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.2 tptp . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 179.97 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.3 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.815 0.34 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 75.7 t -99.84 144.06 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.127 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.456 HG12 ' HA ' ' A' ' 74' ' ' GLU . 4.3 m -138.7 139.29 41.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.099 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.85 HD11 ' HG2' ' A' ' 75' ' ' LYS . 3.2 mp -104.12 146.0 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 39' ' ' ARG . . . -89.57 124.83 34.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.078 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.628 HD21 HG11 ' A' ' 73' ' ' VAL . 11.3 mt -67.45 -33.31 74.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.964 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -132.06 171.7 13.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.47 71.9 3.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.859 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 26.7 t80 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -179.829 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.891 0.377 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.528 HD11 ' HB2' ' A' ' 63' ' ' HIS . 6.0 tp -108.49 152.17 25.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.47 ' N ' ' HG ' ' A' ' 36' ' ' LEU . . . -93.52 100.42 12.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.134 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.786 ' HG ' HG11 ' A' ' 67' ' ' VAL . 36.1 mt -61.59 162.52 8.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' A' ' 40' ' ' ARG . 15.2 tpt180 -123.01 145.29 48.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.421 ' N ' ' HG3' ' A' ' 39' ' ' ARG . 32.7 ttt180 -65.1 129.63 40.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 63.17 41.89 7.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -128.77 130.95 47.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -82.2 158.93 23.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.418 ' CE2' ' OD1' ' A' ' 59' ' ' ASP . 75.8 m-85 -151.8 129.09 11.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.7 p -72.75 131.06 41.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.417 ' HA ' HG12 ' A' ' 57' ' ' VAL . 48.7 tp -78.74 105.79 10.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 43.5 mt -76.71 -69.14 0.53 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.873 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -137.26 130.34 30.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 83.0 p -106.93 31.84 5.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.835 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.2 t -43.47 -48.49 7.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -88.95 179.48 6.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 69.6 mt -109.49 -53.71 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.137 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -76.03 -26.97 57.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 59.5 m95 -117.58 122.03 42.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 20.0 m0 -117.97 143.93 45.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.94 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 -96.2 118.53 32.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.417 HG12 ' HA ' ' A' ' 46' ' ' LEU . 17.7 m -133.93 166.31 29.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.165 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -119.91 140.54 50.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.418 ' OD1' ' CE2' ' A' ' 44' ' ' TYR . 13.9 t70 -77.01 166.22 23.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -71.53 -4.45 26.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 55.5 m-20 -109.04 -37.85 5.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 135.6 42.38 0.12 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.508 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.528 ' HB2' HD11 ' A' ' 36' ' ' LEU . 1.2 m-70 -123.32 119.48 30.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.708 0.29 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -111.04 169.28 8.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 158.49 162.64 12.03 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.533 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -81.85 117.26 21.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.915 0.388 . . . . 0.0 110.932 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.786 HG11 ' HG ' ' A' ' 38' ' ' LEU . 0.8 OUTLIER -121.47 157.1 57.25 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.626 0.727 . . . . 0.0 111.144 179.873 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 69' ' ' SER . 54.0 Cg_endo -69.76 102.28 1.01 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.669 2.246 . . . . 0.0 112.376 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 68' ' ' PRO . 96.1 p -36.88 -34.75 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 35.7 m -44.34 -50.05 9.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -64.67 -45.14 87.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.454 HD22 HG23 ' A' ' 22' ' ' VAL . 92.8 mt -69.51 131.89 45.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.947 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.628 HG11 HD21 ' A' ' 25' ' ' LEU . 2.1 m -122.23 135.17 63.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.456 ' HA ' HG12 ' A' ' 22' ' ' VAL . 7.2 tt0 -50.82 110.85 0.46 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.85 ' HG2' HD11 ' A' ' 23' ' ' ILE . 8.2 tmtm? . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.0 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.842 0.353 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.44 ' CG1' ' HB3' ' A' ' 43' ' ' GLU . 64.6 t -114.86 135.18 55.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.472 HG21 HD13 ' A' ' 72' ' ' LEU . 10.7 m -116.99 168.43 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.444 ' N ' HD12 ' A' ' 23' ' ' ILE . 3.4 mp -131.5 145.3 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.62 128.45 35.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.082 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.651 HD21 HG11 ' A' ' 73' ' ' VAL . 8.7 mt -77.04 -40.8 45.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -130.24 162.25 29.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -77.58 113.7 15.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.872 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 80.3 t80 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.829 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.9 mp0 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.896 0.379 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.473 ' O ' HG12 ' A' ' 67' ' ' VAL . 9.2 tp -95.59 145.41 25.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -92.73 104.05 16.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.12 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.525 ' HG ' HG11 ' A' ' 67' ' ' VAL . 83.7 mt -58.47 171.44 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.33 136.65 45.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 30.6 ttt-85 -60.96 129.92 43.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 61.73 52.66 3.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -145.37 130.16 18.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.44 ' HB3' ' CG1' ' A' ' 21' ' ' VAL . 4.3 mp0 -78.38 162.39 26.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.404 ' CD1' ' O ' ' A' ' 43' ' ' GLU . 71.2 m-85 -152.45 127.71 9.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 4.9 m -73.64 121.38 20.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.831 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.471 ' HA ' HG12 ' A' ' 57' ' ' VAL . 35.4 tp -69.38 122.48 19.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.932 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.41 HD12 ' HG2' ' A' ' 56' ' ' ARG . 93.6 mt -91.15 -52.52 4.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.915 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -168.14 120.49 0.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 50' ' ' SER . 2.0 m -86.03 36.08 0.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 49' ' ' SER . 54.5 m -36.32 -45.14 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -100.3 165.42 11.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.3 mp -83.4 -70.93 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -62.24 -42.57 99.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.2 m95 -96.7 118.75 33.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -113.64 138.69 49.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.41 ' HG2' HD12 ' A' ' 47' ' ' LEU . 19.1 ttp180 -86.27 122.78 30.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.471 HG12 ' HA ' ' A' ' 46' ' ' LEU . 17.5 m -142.99 164.61 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -126.36 141.39 51.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -75.49 171.33 14.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 32.9 ttt85 -67.34 -36.52 81.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -71.68 -52.4 18.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 149.13 36.17 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.504 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -118.52 111.22 18.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.753 0.311 . . . . 0.0 110.86 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.13 174.94 5.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 160.96 -168.17 36.21 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -98.45 112.98 24.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.96 0.409 . . . . 0.0 110.881 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.525 HG11 ' HG ' ' A' ' 38' ' ' LEU . 12.7 m -121.5 153.76 59.31 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.647 0.737 . . . . 0.0 111.108 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 105.32 1.46 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.698 2.265 . . . . 0.0 112.359 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 72' ' ' LEU . 91.2 p -38.67 -46.28 1.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 69' ' ' SER . 60.9 p -35.75 -50.71 0.65 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -62.76 -40.52 97.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.916 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 69' ' ' SER . 84.3 mt -71.83 143.59 49.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.956 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.651 HG11 HD21 ' A' ' 25' ' ' LEU . 10.5 m -132.18 141.18 46.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.175 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -72.1 104.21 3.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.4 ttpt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.947 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.4 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.828 0.347 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.8 t -101.4 135.48 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.8 m -129.37 153.87 39.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.111 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.616 HD11 ' HD3' ' A' ' 75' ' ' LYS . 17.2 mt -122.96 144.36 32.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.077 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.46 132.27 33.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.091 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.485 HD21 HG11 ' A' ' 73' ' ' VAL . 14.5 mt -79.47 -32.29 42.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.559 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 0.7 OUTLIER -133.07 156.88 46.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -76.9 95.31 4.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.821 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 86.6 t80 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.866 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.926 0.393 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.582 HD22 ' HA ' ' A' ' 64' ' ' GLU . 9.9 tp -118.43 149.91 40.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.419 ' N ' ' HG ' ' A' ' 36' ' ' LEU . . . -95.47 128.7 42.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 42.7 mt -96.09 167.1 11.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.442 ' HB3' ' CG ' ' A' ' 42' ' ' GLU . 11.2 ttp180 -122.51 150.8 42.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.2 ttp180 -72.14 124.98 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 41' ' ' ASN . 1.0 OUTLIER 66.93 46.37 1.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.908 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.442 ' CG ' ' HB3' ' A' ' 39' ' ' ARG . 26.2 mm-40 -132.05 133.37 44.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.404 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 36.5 mt-10 -83.0 155.14 24.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.404 ' CD1' ' C ' ' A' ' 43' ' ' GLU . 62.1 m-85 -148.91 144.67 27.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.943 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 49.7 t -89.88 124.57 34.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 26.1 tp -75.63 118.48 18.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.459 HD11 ' HB2' ' A' ' 58' ' ' GLN . 50.3 mt -82.87 -56.03 4.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -145.63 143.18 29.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 98.3 p -115.03 36.37 3.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.1 t -48.17 -55.17 11.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.82 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -88.55 171.7 9.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 27.9 mt -101.03 -55.5 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.143 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -70.66 -32.83 70.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -113.7 125.72 54.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 15.3 m0 -119.68 143.27 47.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.7 ttt180 -97.19 105.92 18.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.495 HG11 ' CD1' ' A' ' 72' ' ' LEU . 11.9 m -119.98 167.4 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.459 ' HB2' HD11 ' A' ' 47' ' ' LEU . 31.3 tt0 -123.74 141.09 52.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -83.5 163.91 20.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -60.18 -28.03 67.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -77.69 -48.31 17.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 139.8 34.7 0.14 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.522 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -121.34 129.74 53.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.728 0.299 . . . . 0.0 110.845 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.582 ' HA ' HD22 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -127.49 179.27 5.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 161.3 -175.65 37.9 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -90.79 105.06 17.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.956 0.407 . . . . 0.0 110.887 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.0 m -112.8 153.26 45.18 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.651 0.739 . . . . 0.0 111.13 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 106.5 1.68 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.616 2.21 . . . . 0.0 112.336 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.2 p -39.24 -35.09 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.832 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 61.3 m -44.36 -45.8 9.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.559 ' CE2' ' HB2' ' A' ' 26' ' ' TYR . 3.3 m-85 -69.98 -42.67 72.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.972 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.495 ' CD1' HG11 ' A' ' 57' ' ' VAL . 65.9 mt -70.48 141.27 52.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.485 HG11 HD21 ' A' ' 25' ' ' LEU . 1.9 m -138.45 132.18 41.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -65.77 108.77 2.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.616 ' HD3' HD11 ' A' ' 23' ' ' ILE . 16.2 tptp . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.958 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 87.6 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.778 0.323 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.712 HG11 ' OE1' ' A' ' 43' ' ' GLU . 54.1 t -98.14 121.69 48.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.173 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 44' ' ' TYR . 3.6 m -116.73 146.91 20.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.41 HD11 ' HD3' ' A' ' 75' ' ' LYS . 3.8 mp -109.76 151.87 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -98.8 118.79 36.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.9 mt -64.36 -35.18 80.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.496 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 3.0 m-85 -131.73 164.94 24.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -87.27 98.4 11.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.852 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 66.3 t80 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.834 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.953 0.406 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.413 ' HG ' ' N ' ' A' ' 37' ' ' ALA . 5.6 tp -105.51 147.07 28.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.929 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.413 ' N ' ' HG ' ' A' ' 36' ' ' LEU . . . -94.32 102.77 14.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.074 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.74 ' HG ' HG11 ' A' ' 67' ' ' VAL . 93.7 mt -71.43 144.92 49.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -102.26 145.2 29.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.818 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -68.54 137.4 54.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 56.42 51.86 10.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -142.36 133.45 25.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.712 ' OE1' HG11 ' A' ' 21' ' ' VAL . 19.0 mt-10 -76.85 159.66 29.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.485 ' O ' HG22 ' A' ' 22' ' ' VAL . 79.0 m-85 -156.49 125.49 6.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.5 p -70.68 136.57 49.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.838 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 68.3 tp -82.81 118.38 23.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 97.1 mt -85.04 -60.88 1.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -152.34 132.74 13.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.82 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 50' ' ' SER . 95.2 p -101.99 30.31 4.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 49' ' ' SER . 24.0 p -34.83 -45.7 0.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -100.73 165.28 11.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 39.8 mt -89.72 -53.72 8.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 -72.3 -47.23 51.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.843 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 67.1 m95 -96.88 122.54 39.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 10.1 m0 -116.76 140.5 49.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -91.34 118.3 30.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.0 m -128.14 171.98 15.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -128.22 137.4 52.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.467 ' HA ' ' CD2' ' A' ' 44' ' ' TYR . 27.4 t0 -80.81 167.88 19.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.7 tpt85 -53.2 -39.55 63.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -80.15 -36.37 35.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 141.23 -7.78 2.62 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.513 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -58.87 113.01 1.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.764 0.316 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.13 166.36 14.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 167.43 -161.66 35.47 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.51 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -102.07 128.6 48.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.88 0.371 . . . . 0.0 110.94 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.74 HG11 ' HG ' ' A' ' 38' ' ' LEU . 11.2 m -141.38 153.48 66.02 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.621 0.724 . . . . 0.0 111.155 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 112.57 3.13 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.663 2.242 . . . . 0.0 112.324 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 82.7 p -43.69 -38.55 3.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.6 m -40.61 -46.73 2.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.496 ' CE2' ' HB2' ' A' ' 26' ' ' TYR . 4.7 m-85 -66.57 -41.83 87.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 83.2 mt -69.33 146.75 51.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.0 m -147.04 132.66 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.135 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -65.36 116.18 6.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.41 ' HD3' HD11 ' A' ' 23' ' ' ILE . 19.6 tptp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 92.8 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.889 0.376 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.7 t -107.49 132.01 56.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.9 m -114.38 171.47 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.447 HD11 ' HD2' ' A' ' 75' ' ' LYS . 9.9 mt -134.54 147.59 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.512 ' HB3' ' O ' ' A' ' 39' ' ' ARG . . . -90.43 139.97 30.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.105 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.825 HD21 HG11 ' A' ' 73' ' ' VAL . 7.2 mt -90.59 -31.0 16.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.464 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 2.8 m-85 -132.77 151.76 51.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.33 93.4 2.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.858 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 53.5 t80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.828 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.878 0.37 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.8 tp -132.94 151.75 52.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.1 103.97 15.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.533 ' HG ' HG11 ' A' ' 67' ' ' VAL . 85.4 mt -70.24 169.42 13.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.512 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 5.2 tpp85 -133.36 136.29 45.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 35.0 ttt180 -62.68 147.6 49.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.533 ' O ' ' ND2' ' A' ' 41' ' ' ASN . 3.4 p-10 46.61 51.86 11.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -142.57 142.86 32.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.591 ' O ' ' CD1' ' A' ' 44' ' ' TYR . 38.6 mt-10 -83.86 158.95 21.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.591 ' CD1' ' O ' ' A' ' 43' ' ' GLU . 49.4 m-85 -155.04 132.46 11.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 8.9 t -81.78 129.71 34.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 61.9 tp -82.44 115.65 21.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.495 HD11 ' HB2' ' A' ' 58' ' ' GLN . 94.9 mt -79.52 -59.1 2.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -157.01 149.71 23.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.826 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 50' ' ' SER . 87.0 p -107.62 45.35 1.01 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 49' ' ' SER . 1.8 t -35.93 -39.86 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -123.24 -179.65 4.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 54.7 mt -93.52 -57.53 4.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.16 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -67.08 -43.72 81.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -98.43 124.83 43.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 12.4 m0 -117.4 138.88 51.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.9 ttm-85 -91.78 109.31 20.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.65 HG11 ' CD1' ' A' ' 72' ' ' LEU . 30.8 m -119.8 171.35 8.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.133 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.495 ' HB2' HD11 ' A' ' 47' ' ' LEU . 35.5 tt0 -130.27 119.26 22.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.434 ' OD1' ' C ' ' A' ' 63' ' ' HIS . 0.3 OUTLIER -64.03 172.95 2.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 36.2 ptt85 -68.1 -23.99 64.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 28.4 m-20 -73.74 -36.2 65.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.72 -9.93 5.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.491 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.434 ' C ' ' OD1' ' A' ' 59' ' ' ASP . 2.3 m170 -78.39 179.27 7.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.754 0.311 . . . . 0.0 110.845 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.458 ' CB ' ' O ' ' A' ' 57' ' ' VAL . 0.7 OUTLIER -162.91 -177.58 5.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 -179.875 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 164.68 170.54 29.77 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.461 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -85.31 107.58 17.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.908 0.385 . . . . 0.0 110.941 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.533 HG11 ' HG ' ' A' ' 38' ' ' LEU . 2.2 m -115.26 156.01 46.15 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.586 0.708 . . . . 0.0 111.172 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.515 ' HG2' ' CD1' ' A' ' 71' ' ' TYR . 53.6 Cg_endo -69.82 108.98 2.21 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.712 2.275 . . . . 0.0 112.315 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 64.4 p -42.72 -25.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.5 m -54.27 -43.62 71.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.515 ' CD1' ' HG2' ' A' ' 68' ' ' PRO . 5.4 m-85 -68.37 -45.43 72.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.65 ' CD1' HG11 ' A' ' 57' ' ' VAL . 93.2 mt -72.57 138.87 47.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.908 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.825 HG11 HD21 ' A' ' 25' ' ' LEU . 2.1 m -134.69 131.88 53.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -61.15 107.01 0.67 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.447 ' HD2' HD11 ' A' ' 23' ' ' ILE . 28.3 tttp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -151.64 147.58 26.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.897 0.38 . . . . 0.0 110.869 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.7 m -72.02 176.61 4.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.94 -64.49 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.489 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -106.19 -46.5 4.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.894 0.378 . . . . 0.0 110.852 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.9 m -134.85 133.32 39.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.868 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.64 14.6 56.3 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.465 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -118.02 106.95 13.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.875 0.369 . . . . 0.0 110.916 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -76.17 104.63 6.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.406 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 31.9 t30 -116.11 47.04 1.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 -77.47 90.39 3.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.4 mtt180 -80.58 153.1 73.34 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.586 0.708 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 176.92 6.14 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.73 2.287 . . . . 0.0 112.288 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.668 HD22 ' N ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -108.27 -52.53 2.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.955 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -62.52 -179.0 0.22 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -111.9 146.01 33.91 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.61 0.719 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -6.75 19.32 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.671 2.247 . . . . 0.0 112.379 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -92.02 -43.23 9.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -75.49 145.89 41.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.3 m -74.87 113.95 12.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 64.9 t -113.13 120.33 62.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -111.12 163.26 8.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.421 ' N ' HD12 ' A' ' 23' ' ' ILE . 2.2 mp -132.12 148.23 32.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.101 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.8 126.27 38.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.572 HD21 HG11 ' A' ' 73' ' ' VAL . 6.4 mt -71.55 -31.08 66.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -137.93 160.32 39.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.97 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -80.8 97.69 7.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -76.63 145.24 38.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -136.21 147.8 47.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.955 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.627 HG21 ' HB3' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -149.24 162.74 39.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.147 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -110.54 15.77 21.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.28 144.02 30.9 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.61 0.719 . . . . 0.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -37.7 8.82 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.694 2.263 . . . . 0.0 112.346 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -64.22 -23.77 67.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.627 ' HB3' HG21 ' A' ' 30' ' ' THR . 52.8 mt-10 -96.6 152.89 18.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.404 HD11 ' HB2' ' A' ' 63' ' ' HIS . 6.5 tp -118.56 142.46 47.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.05 110.13 20.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.611 ' HG ' HG11 ' A' ' 67' ' ' VAL . 90.6 mt -75.12 161.92 28.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.5 tpp180 -119.17 136.77 54.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.0 ttp85 -64.25 126.83 29.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 71.39 40.25 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -134.34 128.93 34.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.532 ' O ' ' CD1' ' A' ' 44' ' ' TYR . 14.1 mp0 -78.39 162.51 26.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.532 ' CD1' ' O ' ' A' ' 43' ' ' GLU . 58.1 m-85 -154.35 138.48 16.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 4.0 t -77.53 121.61 24.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.5 tt -75.0 108.36 7.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.481 HD11 ' HG2' ' A' ' 64' ' ' GLU . 95.2 mt -72.65 -58.55 3.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -157.91 134.58 9.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 50' ' ' SER . 58.8 p -98.49 33.4 2.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 49' ' ' SER . 41.1 t -37.47 -53.39 1.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -92.04 179.95 5.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 46.9 mt -107.43 -57.32 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.116 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -69.64 -29.27 66.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.83 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 73.1 m95 -120.54 123.33 42.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 12.6 m0 -115.22 139.8 49.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.934 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.4 ttt85 -89.42 112.87 24.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.6 m -128.27 173.2 13.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -133.74 141.28 47.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 60' ' ' ARG . 13.3 t70 -77.75 174.11 11.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.47 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 14.5 ptt180 -72.24 -21.17 61.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -89.8 -40.54 12.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 135.58 42.56 0.12 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.507 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.404 ' HB2' HD11 ' A' ' 36' ' ' LEU . 3.5 m-70 -119.77 111.08 17.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.748 0.308 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.481 ' HG2' HD11 ' A' ' 47' ' ' LEU . 3.4 mp0 -109.16 168.06 9.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 161.96 -173.73 38.33 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.427 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -93.47 127.05 38.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.915 0.388 . . . . 0.0 110.903 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.611 HG11 ' HG ' ' A' ' 38' ' ' LEU . 4.2 m -133.63 154.3 80.61 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.688 0.756 . . . . 0.0 111.091 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 104.21 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.32 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.5 p -40.63 -30.51 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.1 t -51.64 -46.44 63.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.843 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -66.66 -41.61 87.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.954 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.436 HD11 HG23 ' A' ' 67' ' ' VAL . 42.1 mt -68.7 143.32 54.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.93 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.572 HG11 HD21 ' A' ' 25' ' ' LEU . 2.1 m -138.37 144.63 29.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -75.82 115.48 15.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 76' ' ' SER . 27.7 tptt -42.1 102.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 75' ' ' LYS . 65.3 m -35.24 144.26 0.23 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.64 0.733 . . . . 0.0 110.895 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 154.85 67.38 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.698 2.265 . . . . 0.0 112.331 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -157.88 136.77 11.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.7 p30 39.02 46.22 1.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.423 ' CD1' ' OG1' ' A' ' 82' ' ' THR . 0.1 OUTLIER -130.44 112.62 13.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -99.01 82.23 2.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.423 ' OG1' ' CD1' ' A' ' 80' ' ' LEU . 13.5 m -143.12 143.52 31.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.169 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -121.62 128.24 51.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -92.73 86.99 5.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.922 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 23.4 t90 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.5 t -154.98 127.32 7.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.906 0.384 . . . . 0.0 110.86 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -124.16 144.02 50.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.54 57.91 0.11 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.48 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 m -92.32 121.0 33.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.858 0.361 . . . . 0.0 110.905 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.9 p -110.53 108.57 18.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.33 -55.0 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 46.91 41.02 10.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.801 0.334 . . . . 0.0 110.848 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -126.61 110.58 13.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -48.65 -57.31 6.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -166.87 142.51 4.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.465 ' CZ ' ' HB2' ' A' ' 12' ' ' ARG . 26.1 mtm105 -137.68 145.3 48.19 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.612 0.72 . . . . 0.0 110.839 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 156.33 63.41 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.697 2.265 . . . . 0.0 112.314 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.0 mt -85.74 -48.73 8.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.5 m95 -101.65 177.34 4.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -109.23 154.56 42.05 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.696 0.76 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -24.96 29.19 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.706 2.27 . . . . 0.0 112.363 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -65.6 -42.12 92.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.76 136.97 34.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.2 m -75.11 104.13 5.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.15 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.6 t -99.27 123.74 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -110.9 175.63 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.6 mt -143.77 142.45 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.172 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.37 131.51 34.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.075 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.807 HD21 HG11 ' A' ' 73' ' ' VAL . 9.5 mt -77.0 -34.68 57.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.456 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 1.8 m-85 -132.37 163.31 28.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -82.56 103.51 12.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.855 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -82.84 146.15 29.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.954 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -140.42 123.78 16.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.529 HG21 ' HB3' ' A' ' 35' ' ' GLU . 3.0 t -130.16 147.44 51.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.13 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 44.1 m-20 -90.05 -26.8 20.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.427 ' CG ' ' HD2' ' A' ' 33' ' ' PRO . 1.5 t70 -62.57 141.13 96.86 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.592 0.71 . . . . 0.0 110.88 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 32' ' ' ASP . 53.6 Cg_endo -69.74 -36.38 10.97 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.7 2.267 . . . . 0.0 112.35 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -69.21 -39.74 78.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.529 ' HB3' HG21 ' A' ' 30' ' ' THR . 45.4 mt-10 -74.53 147.66 41.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.2 tp -110.58 142.08 42.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -95.35 106.32 18.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.078 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.487 ' HG ' HG11 ' A' ' 67' ' ' VAL . 18.2 mt -67.72 -176.31 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -143.72 144.66 31.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -62.63 129.04 38.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 31.9 m120 62.54 53.54 2.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -139.55 122.73 16.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.407 ' O ' ' CD1' ' A' ' 44' ' ' TYR . 2.5 mp0 -73.9 160.65 31.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.407 ' CD1' ' O ' ' A' ' 43' ' ' GLU . 74.0 m-85 -153.42 132.79 12.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.972 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 32.3 t -79.3 106.54 11.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.904 HD12 HG12 ' A' ' 57' ' ' VAL . 24.3 tp -60.68 126.06 26.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.41 HD11 ' HB2' ' A' ' 58' ' ' GLN . 65.6 mt -93.83 -64.61 1.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -143.86 146.2 32.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 57.1 p -116.58 45.77 1.75 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.2 p -44.64 -35.44 2.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.434 ' O ' ' CD1' ' A' ' 55' ' ' TRP . 49.9 mt-10 -118.8 176.9 5.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.867 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.2 mt -97.18 -53.34 8.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -70.83 -40.3 72.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 79.4 m95 -106.42 117.89 35.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.454 ' CD2' ' HB2' ' A' ' 69' ' ' SER . 19.8 m0 -116.75 135.83 53.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -89.9 113.62 25.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.904 HG12 HD12 ' A' ' 46' ' ' LEU . 2.9 m -128.57 177.65 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.107 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.41 ' HB2' HD11 ' A' ' 47' ' ' LEU . 17.0 tt0 -136.39 142.19 43.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -83.93 162.04 20.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -60.42 -28.84 68.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.449 ' HB3' ' CE1' ' A' ' 63' ' ' HIS . 29.6 m-20 -77.16 -38.66 51.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 129.6 30.57 0.64 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.48 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.449 ' CE1' ' HB3' ' A' ' 61' ' ' ASN . 0.7 OUTLIER -115.49 120.25 38.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.786 0.327 . . . . 0.0 110.885 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.412 ' CB ' ' O ' ' A' ' 57' ' ' VAL . 0.1 OUTLIER -120.42 179.1 4.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 160.2 -171.43 36.46 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.486 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -94.18 105.22 17.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.877 0.37 . . . . 0.0 110.962 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.487 HG11 ' HG ' ' A' ' 38' ' ' LEU . 3.3 m -116.36 152.79 48.45 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.623 0.725 . . . . 0.0 111.126 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 108.04 1.99 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.69 2.26 . . . . 0.0 112.409 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.454 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 1.8 t -44.98 -30.6 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 m -47.03 -51.38 17.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.456 ' CE2' ' HB2' ' A' ' 26' ' ' TYR . 3.1 m-85 -63.72 -39.51 94.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 59.9 mt -68.81 141.5 55.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.963 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.807 HG11 HD21 ' A' ' 25' ' ' LEU . 3.8 m -134.79 142.01 41.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -73.21 109.2 6.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -48.05 115.55 1.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.1 m -71.05 160.95 80.89 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.659 0.742 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 1.09 4.69 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.709 2.273 . . . . 0.0 112.339 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 29.7 p30 -51.81 176.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -54.67 150.84 8.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.6 mp -94.59 83.2 4.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.971 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -73.63 87.82 1.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 73.1 p -114.96 125.78 54.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -105.62 41.53 1.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -97.1 88.92 4.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 13.2 p-90 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.947 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m 40.49 49.54 2.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.9 0.381 . . . . 0.0 110.831 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.8 p -138.52 135.19 34.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.868 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.37 166.44 35.17 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.482 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 t -130.31 123.02 29.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.878 0.37 . . . . 0.0 110.836 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.8 m -152.17 115.77 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.94 78.57 0.43 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.499 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -150.56 160.46 43.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.836 0.35 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.446 ' C ' ' OD1' ' A' ' 9' ' ' ASP . 0.3 OUTLIER -133.36 152.21 51.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -77.08 92.82 3.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.4 ttp-105 -73.47 140.76 46.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 63.2 mtm180 -147.45 146.0 23.48 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.638 0.733 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 147.19 61.96 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.662 2.242 . . . . 0.0 112.353 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 mp -82.19 -57.88 3.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -91.66 -178.17 4.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -115.42 151.25 45.78 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.638 0.732 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -2.5 10.31 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.665 2.244 . . . . 0.0 112.345 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -92.46 -43.42 9.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.851 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.558 ' O ' HG23 ' A' ' 21' ' ' VAL . 43.7 mt-10 -79.49 117.83 20.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.2 m -53.45 102.94 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.168 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 19' ' ' GLU . 74.0 t -104.24 134.61 45.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.424 HG23 HD22 ' A' ' 72' ' ' LEU . 3.4 m -121.45 159.7 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.667 HD11 ' CD ' ' A' ' 75' ' ' LYS . 3.6 mp -125.77 146.7 31.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.117 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.45 126.44 35.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.5 mt -73.02 -31.34 64.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.464 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 4.5 m-85 -133.99 166.92 21.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -88.06 93.09 9.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.481 ' HB2' ' CD2' ' A' ' 71' ' ' TYR . 28.2 t80 -71.03 149.7 46.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -131.99 139.38 48.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.4 t -155.2 151.3 27.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -120.55 39.58 3.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.426 ' CG ' ' HD2' ' A' ' 33' ' ' PRO . 1.7 t70 -126.98 141.1 39.6 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.62 0.724 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.426 ' HD2' ' CG ' ' A' ' 32' ' ' ASP . 53.9 Cg_endo -69.7 -21.07 34.28 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.726 2.284 . . . . 0.0 112.348 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -83.13 -33.07 26.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.444 ' N ' ' OE1' ' A' ' 35' ' ' GLU . 13.0 mp0 -99.14 158.63 15.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.404 ' O ' HG12 ' A' ' 67' ' ' VAL . 6.2 tp -120.71 141.04 50.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.42 103.21 15.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 71.8 mt -63.27 160.29 16.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.945 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.6 ttt85 -118.43 145.13 45.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 25.7 ttt-85 -69.12 121.93 17.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 74.51 39.26 0.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -129.05 140.2 51.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.46 ' OE1' ' N ' ' A' ' 43' ' ' GLU . 2.6 mp0 -91.46 154.55 19.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -148.01 143.95 27.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 41.4 t -88.37 132.76 34.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.765 HD21 ' OG ' ' A' ' 49' ' ' SER . 17.6 tp -83.79 112.08 19.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.943 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.922 HD11 ' HB2' ' A' ' 58' ' ' GLN . 16.3 mt -83.11 -56.21 3.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -153.48 123.25 6.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.765 ' OG ' HD21 ' A' ' 46' ' ' LEU . 25.5 m -101.17 39.23 1.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.821 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.0 t -42.14 -52.71 4.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -88.2 163.25 16.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.895 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 22.3 mt -88.45 -53.81 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 44.0 m-70 -73.66 -35.68 65.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 67.8 m95 -108.04 122.17 46.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.448 ' NE1' ' HB3' ' A' ' 49' ' ' SER . 13.5 m0 -117.11 143.67 45.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 31.3 ttt-85 -94.82 119.42 33.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.505 HG11 ' CD1' ' A' ' 72' ' ' LEU . 29.1 m -130.84 172.29 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.922 ' HB2' HD11 ' A' ' 47' ' ' LEU . 40.0 tt0 -138.33 121.84 17.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.485 ' CG ' ' N ' ' A' ' 60' ' ' ARG . 3.4 t70 -63.79 168.35 5.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.485 ' N ' ' CG ' ' A' ' 59' ' ' ASP . 22.7 tpt180 -57.54 -37.85 73.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.854 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -73.69 -46.53 45.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 139.66 31.69 0.18 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.468 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -99.31 110.89 23.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.764 0.316 . . . . 0.0 110.844 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.489 ' HG2' HD11 ' A' ' 47' ' ' LEU . 6.1 mt-10 -106.2 164.81 11.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 160.16 153.91 7.11 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.528 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -65.33 117.93 8.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.911 0.386 . . . . 0.0 110.955 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.404 HG12 ' O ' ' A' ' 36' ' ' LEU . 1.9 m -123.07 151.19 61.21 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.649 0.738 . . . . 0.0 111.099 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 103.0 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.656 2.237 . . . . 0.0 112.314 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.3 p -39.47 -34.46 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.6 m -45.19 -48.59 12.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.481 ' CD2' ' HB2' ' A' ' 28' ' ' TYR . 3.4 m-85 -66.98 -44.96 79.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.926 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.505 ' CD1' HG11 ' A' ' 57' ' ' VAL . 76.9 mt -67.35 144.67 55.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.0 m -144.3 134.16 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -56.82 112.98 1.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.667 ' CD ' HD11 ' A' ' 23' ' ' ILE . 18.8 tptp -40.95 110.51 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.1 p -43.71 152.14 0.46 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.677 0.751 . . . . 0.0 110.851 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -35.13 13.3 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.671 2.247 . . . . 0.0 112.37 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -74.8 127.65 33.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -84.65 103.09 13.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.1 tp -88.73 153.63 20.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -79.35 96.14 5.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.2 p -86.49 156.12 20.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.149 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -69.73 118.95 13.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.421 ' CD ' ' O ' ' A' ' 84' ' ' GLU . 1.1 pp20? -115.68 39.66 2.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.86 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 55.2 m95 . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.927 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.6 m -128.95 166.57 18.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.89 0.376 . . . . 0.0 110.843 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.5 t -77.12 -47.68 19.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.2 -130.81 4.97 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.532 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.8 t -55.09 157.63 3.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.878 0.37 . . . . 0.0 110.862 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -96.56 -47.34 5.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.19 48.7 5.28 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -75.01 164.78 26.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.886 0.374 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -161.78 144.71 12.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -80.46 134.72 36.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.8 ttm-85 -61.79 134.53 56.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 47.2 mtm180 -98.09 149.34 35.63 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.62 0.724 . . . . 0.0 110.837 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 175.39 8.21 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.325 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.428 ' CD2' ' N ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -105.52 -55.15 2.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 8.0 m95 -86.43 -178.96 6.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -117.72 154.11 50.89 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.611 0.72 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -41.01 4.58 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.706 2.27 . . . . 0.0 112.302 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -68.31 -42.73 79.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -58.18 165.0 2.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.7 m -103.0 107.21 17.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.177 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.4 t -100.15 136.32 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.156 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.479 HG21 HD13 ' A' ' 72' ' ' LEU . 3.0 m -128.31 153.9 38.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.3 mp -120.29 153.96 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.96 135.83 34.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.783 HD21 HG11 ' A' ' 73' ' ' VAL . 10.6 mt -84.06 -27.13 28.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.505 ' CE1' ' HB2' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -143.88 162.79 35.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.49 94.71 8.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -76.73 126.8 31.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -115.7 134.33 55.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 t -138.37 150.31 46.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.12 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -94.95 -28.96 14.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.43 ' CG ' ' HD2' ' A' ' 33' ' ' PRO . 1.8 t70 -62.96 141.13 97.63 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.632 0.73 . . . . 0.0 110.849 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.43 ' HD2' ' CG ' ' A' ' 32' ' ' ASP . 54.1 Cg_endo -69.71 -29.83 23.47 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.684 2.256 . . . . 0.0 112.381 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -72.85 -44.57 61.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -70.14 147.23 50.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 tp -109.21 145.76 35.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.16 109.44 21.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.417 ' HG ' HG11 ' A' ' 67' ' ' VAL . 39.7 mt -70.23 158.91 34.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.1 tpp85 -123.19 134.89 54.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.7 ttp180 -62.13 125.53 24.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 73.6 54.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -147.49 135.77 21.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -87.04 154.13 21.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -148.57 129.48 14.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 49.3 t -74.01 123.52 24.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.855 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 59.7 tp -74.18 101.72 4.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 80.8 mt -66.9 -67.19 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -144.65 146.45 32.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.7 p -110.32 36.71 2.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 26.2 t -38.24 -42.03 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -109.84 -178.05 3.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 83.9 mt -107.04 -47.7 8.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.09 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -75.98 -43.59 43.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 46.5 m95 -107.98 123.73 49.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 17.7 m0 -116.27 155.21 28.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -101.54 116.54 32.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.2 m -133.38 167.82 25.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -130.09 140.68 50.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -81.78 166.89 19.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 46.6 ttt-85 -58.58 -37.32 75.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -72.04 -49.64 35.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 143.89 33.07 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.469 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -111.02 120.33 42.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.801 0.334 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.445 ' OE1' ' C ' ' A' ' 64' ' ' GLU . 0.4 OUTLIER -124.94 168.85 12.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.878 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 166.25 -170.91 41.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.517 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -92.61 114.15 26.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.948 0.404 . . . . 0.0 110.892 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.417 HG11 ' HG ' ' A' ' 38' ' ' LEU . 3.5 m -123.23 154.15 65.21 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.626 0.726 . . . . 0.0 111.137 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.7 108.16 2.01 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.684 2.256 . . . . 0.0 112.321 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 94.8 p -41.56 -41.77 2.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.86 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.3 m -41.09 -51.77 3.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.789 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.48 ' CE2' ' HB2' ' A' ' 26' ' ' TYR . 7.0 m-85 -59.26 -37.99 78.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.479 HD13 HG21 ' A' ' 22' ' ' VAL . 59.1 mt -77.09 142.4 39.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.918 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.783 HG11 HD21 ' A' ' 25' ' ' LEU . 2.0 m -137.71 141.32 39.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.111 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -66.01 109.17 2.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.1 ttpt -44.49 117.72 1.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.6 t -38.31 147.38 0.26 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.692 0.758 . . . . 0.0 110.868 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -3.31 11.74 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.701 2.268 . . . . 0.0 112.357 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -47.54 144.15 3.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -85.42 143.98 28.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -125.52 9.29 7.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.932 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -67.75 94.49 0.45 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 74.3 p -104.9 171.23 7.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.147 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 60.72 45.44 10.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -104.55 89.56 3.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 89.4 m95 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.8 m -147.13 151.83 37.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.892 0.377 . . . . 0.0 110.842 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 m -151.42 135.87 16.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.871 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.428 ' N ' ' OE2' ' A' ' 8' ' ' GLU . . . -95.93 117.03 5.57 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.7 p -64.11 -49.16 73.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.862 0.363 . . . . 0.0 110.868 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.1 t -84.96 45.13 1.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.01 109.55 3.14 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.502 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.428 ' OE2' ' N ' ' A' ' 4' ' ' GLY . 13.4 mm-40 -51.99 -47.56 64.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.858 0.361 . . . . 0.0 110.884 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -153.05 155.07 36.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -119.69 170.74 8.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -133.96 121.85 22.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -133.66 147.81 66.04 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.557 0.694 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -177.14 1.74 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.672 2.248 . . . . 0.0 112.353 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.91 -44.71 3.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.953 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.709 ' HB2' HG21 ' A' ' 21' ' ' VAL . 17.1 m95 -113.33 -71.55 0.75 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -163.7 144.3 6.92 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.641 0.734 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -49.97 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.708 2.272 . . . . 0.0 112.299 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -85.55 35.68 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -141.03 144.7 35.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.3 m -95.5 105.27 17.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.709 HG21 ' HB2' ' A' ' 15' ' ' TRP . 85.9 t -93.48 134.21 31.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.4 m -125.56 153.11 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.839 HD11 ' HB2' ' A' ' 75' ' ' LYS . 2.0 mp -118.12 140.86 39.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.102 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.51 128.09 35.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.068 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.487 HD21 HG11 ' A' ' 73' ' ' VAL . 10.3 mt -68.51 -44.57 74.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -124.71 169.5 11.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -87.94 98.92 11.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -75.44 137.67 41.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -117.96 131.72 56.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.447 HG22 ' HB2' ' A' ' 37' ' ' ALA . 14.0 t -143.78 148.03 35.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -124.53 34.69 4.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -129.65 144.64 53.74 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.64 0.733 . . . . 0.0 110.847 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -23.51 30.78 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.673 2.249 . . . . 0.0 112.357 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -74.65 -32.9 62.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -105.13 176.31 5.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.415 ' HG ' ' N ' ' A' ' 37' ' ' ALA . 10.0 tp -133.92 149.87 51.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.928 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.447 ' HB2' HG22 ' A' ' 30' ' ' THR . . . -96.76 112.84 24.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.082 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.53 ' HG ' HG11 ' A' ' 67' ' ' VAL . 62.9 mt -80.6 175.94 10.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.466 ' HB3' ' CG ' ' A' ' 42' ' ' GLU . 23.5 ttt85 -135.49 149.8 49.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 56.3 ttt180 -70.11 131.19 43.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 64.73 37.83 7.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.466 ' CG ' ' HB3' ' A' ' 39' ' ' ARG . 32.1 mm-40 -127.91 119.99 26.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -76.16 154.01 35.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.421 ' CE1' ' O ' ' A' ' 42' ' ' GLU . 78.4 m-85 -141.62 130.2 22.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 38.3 t -72.58 109.37 6.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.664 HD11 ' CE3' ' A' ' 55' ' ' TRP . 3.0 tt -67.62 120.32 13.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.442 HD12 ' HG2' ' A' ' 56' ' ' ARG . 18.0 mt -85.71 -59.03 2.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -145.07 143.41 30.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 80.9 p -113.54 38.77 2.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.4 t -44.61 -57.47 3.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.812 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -90.46 -176.97 4.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 74.8 mt -108.22 -62.42 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.133 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -60.01 -39.77 86.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 45.9 m95 -112.98 125.59 54.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.664 ' CE3' HD11 ' A' ' 46' ' ' LEU . 10.5 m0 -119.15 150.91 39.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.442 ' HG2' HD12 ' A' ' 47' ' ' LEU . 54.4 ttt180 -96.59 109.71 22.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.813 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.443 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 13.6 m -126.43 174.92 9.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -140.07 128.95 23.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -69.06 164.65 21.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.64 -8.84 38.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -93.44 -46.67 7.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 140.26 32.71 0.15 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.47 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -120.28 121.78 39.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.78 0.324 . . . . 0.0 110.833 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.443 ' CB ' ' O ' ' A' ' 57' ' ' VAL . 0.2 OUTLIER -125.43 159.59 31.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 175.41 -164.02 34.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -97.29 110.67 23.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.947 0.403 . . . . 0.0 110.918 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.53 HG11 ' HG ' ' A' ' 38' ' ' LEU . 1.7 m -118.48 153.13 51.83 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.651 0.739 . . . . 0.0 111.123 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 107.67 1.91 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.674 2.25 . . . . 0.0 112.349 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.3 p -43.14 -35.08 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.9 m -44.96 -42.07 7.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -74.2 -42.93 59.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.6 mt -68.09 143.51 55.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.487 HG11 HD21 ' A' ' 25' ' ' LEU . 2.4 m -139.31 140.46 37.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -74.53 110.52 8.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.839 ' HB2' HD11 ' A' ' 23' ' ' ILE . 13.3 tttp -60.31 110.54 1.27 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 60.7 p -87.83 144.88 35.62 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.677 0.751 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' A' ' 79' ' ' ASN . 53.5 Cg_endo -69.8 2.1 3.86 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.657 2.238 . . . . 0.0 112.316 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.439 ' O ' ' C ' ' A' ' 79' ' ' ASN . 17.9 m120 -62.97 75.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.851 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 77' ' ' PRO . 5.5 p-10 35.02 45.91 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.89 103.87 0.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -118.4 91.57 3.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.1 t -116.23 170.67 8.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -70.52 109.62 4.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.957 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -81.23 87.13 6.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 5.2 m95 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.944 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.2 t -65.11 134.74 54.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.356 . . . . 0.0 110.867 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.5 t -163.4 161.06 24.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.47 -149.12 21.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.1 t -116.29 122.72 45.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.861 0.362 . . . . 0.0 110.868 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.9 p -138.94 118.95 13.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.95 93.43 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -131.14 134.67 46.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.852 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.23 153.58 42.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -68.98 136.32 52.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.27 118.41 7.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.468 ' CG ' ' HD2' ' A' ' 13' ' ' PRO . 10.5 ttm180 -163.64 140.64 5.61 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.593 0.711 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 12' ' ' ARG . 53.7 Cg_endo -69.76 153.49 68.86 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.686 2.257 . . . . 0.0 112.365 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.1 mt -104.22 -55.76 2.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.437 ' CD1' ' OE1' ' A' ' 43' ' ' GLU . 3.7 m95 -72.53 -176.96 2.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.1 mp0 -108.74 154.65 41.61 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.642 0.734 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -50.54 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.662 2.242 . . . . 0.0 112.346 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -49.47 -43.0 44.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -69.78 151.89 45.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.913 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.4 m -92.03 114.33 26.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.2 t -113.77 136.03 51.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.584 ' CG2' HD22 ' A' ' 72' ' ' LEU . 4.5 m -124.82 168.81 16.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.176 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.3 mt -130.01 149.08 33.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.01 119.64 32.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.077 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.645 HD21 HG11 ' A' ' 73' ' ' VAL . 9.1 mt -66.29 -39.92 89.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -130.71 152.45 50.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -73.68 95.8 2.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.836 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -75.36 135.52 40.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -117.3 144.6 44.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.94 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.433 ' O ' HG23 ' A' ' 30' ' ' THR . 5.6 t -166.11 119.48 1.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -90.0 41.69 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -120.92 146.57 44.18 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.619 0.723 . . . . 0.0 110.903 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -47.76 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.737 2.292 . . . . 0.0 112.269 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.8 pm0 -72.85 -0.86 14.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -121.12 144.58 48.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.7 tp -114.75 145.12 42.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -96.46 104.38 16.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.729 ' HG ' HG11 ' A' ' 67' ' ' VAL . 61.7 mt -59.63 163.76 4.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -121.32 129.3 53.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -60.48 129.51 41.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 64.95 51.8 1.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -145.16 136.09 24.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.437 ' OE1' ' CD1' ' A' ' 15' ' ' TRP . 16.6 mt-10 -78.65 153.17 31.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -148.79 127.56 12.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.942 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 49.0 t -76.43 133.57 39.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 27.1 tp -81.55 106.74 13.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.656 HD12 ' HG2' ' A' ' 56' ' ' ARG . 62.5 mt -68.21 -57.24 6.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -156.68 138.95 14.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 78.0 p -101.77 37.85 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.7 p -45.1 -48.23 12.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -103.51 -178.31 3.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 86.8 mt -110.57 -49.46 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -71.3 -44.41 65.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 62.0 m95 -112.9 118.59 35.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 16.7 m0 -108.27 158.6 17.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.656 ' HG2' HD12 ' A' ' 47' ' ' LEU . 34.4 ttt180 -103.63 115.32 30.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.876 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.1 m -130.63 171.17 18.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -137.69 136.03 37.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.424 ' CG ' ' N ' ' A' ' 60' ' ' ARG . 11.9 t70 -76.27 166.72 23.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.424 ' N ' ' CG ' ' A' ' 59' ' ' ASP . 7.2 ptt180 -63.95 -26.63 68.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -75.96 -51.03 13.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 142.2 34.04 0.1 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -119.11 125.26 48.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.716 0.293 . . . . 0.0 110.844 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -125.26 178.51 5.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 163.17 -143.8 8.98 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.483 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -120.87 126.8 50.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.919 0.39 . . . . 0.0 110.9 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.729 HG11 ' HG ' ' A' ' 38' ' ' LEU . 4.6 m -137.1 153.38 75.1 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.624 0.726 . . . . 0.0 111.103 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 110.8 2.64 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.706 2.271 . . . . 0.0 112.335 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 85.3 p -43.85 -37.42 2.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 71.7 m -42.39 -42.6 3.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -71.7 -37.98 70.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.584 HD22 ' CG2' ' A' ' 22' ' ' VAL . 81.8 mt -70.76 133.3 46.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.645 HG11 HD21 ' A' ' 25' ' ' LEU . 2.0 m -127.02 132.67 69.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -64.65 106.88 1.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 76' ' ' SER . 67.0 tttt -55.03 116.18 2.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.9 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 75' ' ' LYS . 74.1 m -37.19 144.96 0.28 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.654 0.74 . . . . 0.0 110.872 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.8 -166.97 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.618 2.212 . . . . 0.0 112.361 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -132.05 -50.02 0.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 56.1 t30 58.43 45.18 17.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.71 113.84 25.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -74.39 94.31 2.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.567 HG22 ' O ' ' A' ' 82' ' ' THR . 12.1 m -95.94 26.08 4.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -100.64 128.01 46.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -108.78 85.89 2.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.872 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.982 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 m -147.78 127.95 13.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.361 . . . . 0.0 110.884 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 m -157.35 173.63 16.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.31 -71.79 0.27 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.481 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.8 p -110.23 144.73 38.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.905 0.383 . . . . 0.0 110.888 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -133.23 -62.54 0.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.83 89.92 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.448 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.77 133.79 47.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.855 0.359 . . . . 0.0 110.9 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -111.25 110.23 20.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -108.24 93.7 4.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -65.81 134.18 52.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.466 ' CG ' ' HD2' ' A' ' 13' ' ' PRO . 47.6 ttt180 -156.47 139.92 11.18 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.567 0.699 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.544 ' C ' HD13 ' A' ' 14' ' ' LEU . 53.3 Cg_endo -69.81 170.75 15.9 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.646 2.231 . . . . 0.0 112.346 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.753 ' H ' HD22 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -109.67 -43.99 3.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 37.0 m95 -90.13 -176.61 4.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.945 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -88.8 145.34 34.65 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.679 0.752 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -23.36 31.21 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.708 2.272 . . . . 0.0 112.367 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -112.07 41.41 1.97 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -135.74 124.27 23.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.3 m -60.89 113.97 2.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 43' ' ' GLU . 54.7 t -119.43 141.27 40.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.102 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.411 ' CG2' HD22 ' A' ' 72' ' ' LEU . 1.6 m -125.71 158.53 34.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.118 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.2 mt -125.3 141.35 45.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.98 127.31 34.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.133 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.577 HD21 HG11 ' A' ' 73' ' ' VAL . 17.8 mt -73.91 -37.66 64.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -129.03 142.21 50.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 27' ' ' ASP . 7.3 p-10 -62.65 92.05 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.452 ' HB2' ' CD2' ' A' ' 71' ' ' TYR . 63.3 t80 -76.66 152.88 35.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -138.76 153.13 48.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.0 t -172.2 130.98 0.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.198 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -98.15 11.94 36.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.14 143.79 27.18 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.602 0.715 . . . . 0.0 110.818 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 -34.66 14.44 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.687 2.258 . . . . 0.0 112.386 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -64.73 -25.21 67.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -116.6 161.92 18.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.465 ' HG ' ' N ' ' A' ' 37' ' ' ALA . 7.3 tp -122.6 150.82 42.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.465 ' N ' ' HG ' ' A' ' 36' ' ' LEU . . . -95.1 109.45 21.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.5 mt -77.99 162.87 26.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.94 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -117.54 137.82 52.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.1 ttm180 -61.51 127.94 33.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 63.29 53.45 2.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -142.94 133.11 24.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.563 ' O ' ' CD1' ' A' ' 44' ' ' TYR . 17.2 mp0 -80.43 163.36 23.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.937 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.563 ' CD1' ' O ' ' A' ' 43' ' ' GLU . 41.1 m-85 -152.66 149.97 28.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.983 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.7 p -97.07 102.02 13.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.6 tp -55.13 131.93 46.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.566 HD11 ' HB2' ' A' ' 58' ' ' GLN . 89.6 mt -95.7 -52.26 4.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -147.4 148.57 31.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.4 p -124.39 38.95 4.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.3 t -54.63 -45.25 73.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -96.85 163.61 12.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 40.1 mt -95.12 -56.37 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.096 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 33.9 m-70 -67.98 -39.26 83.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 70.3 m95 -107.67 123.76 48.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 8.6 m0 -117.22 142.8 46.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.935 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -101.37 110.21 22.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.451 HG11 HD13 ' A' ' 72' ' ' LEU . 16.3 m -123.0 164.62 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.156 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.566 ' HB2' HD11 ' A' ' 47' ' ' LEU . 37.5 tt0 -116.47 129.0 55.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.548 ' HA ' ' CD2' ' A' ' 44' ' ' TYR . 31.1 t70 -66.91 169.4 8.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' A' ' 61' ' ' ASN . 8.9 ptt-85 -68.71 -33.85 74.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.407 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 35.0 m-20 -69.54 -50.95 40.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 145.56 33.75 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.468 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.412 ' C ' ' HG3' ' A' ' 64' ' ' GLU . 2.5 m-70 -111.82 174.17 6.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.728 0.299 . . . . 0.0 110.836 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.412 ' HG3' ' C ' ' A' ' 63' ' ' HIS . 9.1 mt-10 -156.3 171.53 20.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 156.69 152.14 6.19 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.548 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -67.36 127.08 31.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.883 0.373 . . . . 0.0 110.929 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.2 m -132.81 154.78 81.57 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.655 0.74 . . . . 0.0 111.156 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 107.39 1.84 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.726 2.284 . . . . 0.0 112.371 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.3 p -40.74 -30.43 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.846 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.8 m -48.84 -49.92 36.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.452 ' CD2' ' HB2' ' A' ' 28' ' ' TYR . 3.2 m-85 -64.89 -43.32 93.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.451 HD13 HG11 ' A' ' 57' ' ' VAL . 94.3 mt -73.08 141.27 47.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.577 HG11 HD21 ' A' ' 25' ' ' LEU . 2.1 m -133.87 133.03 56.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.088 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -66.25 105.06 1.31 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 54.6 tttt -44.29 116.61 1.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.948 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.2 m -70.37 145.04 92.68 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.611 0.719 . . . . 0.0 110.902 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -32.33 19.03 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.722 2.281 . . . . 0.0 112.333 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.49 -61.39 1.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 62.15 51.22 3.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.416 ' H ' HD12 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -113.29 50.79 0.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -116.18 66.39 0.71 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 67.2 p -76.22 163.75 26.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.165 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -82.27 133.93 35.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -113.58 84.28 1.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 34.3 p-90 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.8 t 38.6 42.13 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.879 0.371 . . . . 0.0 110.833 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.3 p -40.96 134.04 2.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.876 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.75 56.87 0.56 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.49 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.1 m -141.67 160.21 40.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.893 0.378 . . . . 0.0 110.827 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -161.15 126.8 3.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.84 131.38 9.75 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.475 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -102.05 -43.26 5.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 0.0 110.919 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -108.04 39.57 1.93 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -109.03 -57.39 2.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 67.5 mtt180 -108.5 158.95 17.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.463 ' CG ' ' HD2' ' A' ' 13' ' ' PRO . 24.8 ttt180 -136.47 139.24 28.96 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.64 0.733 . . . . 0.0 110.859 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.463 ' HD2' ' CG ' ' A' ' 12' ' ' ARG . 54.2 Cg_endo -69.73 174.95 8.73 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.66 2.24 . . . . 0.0 112.353 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.623 HD22 ' N ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -108.04 -43.85 4.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.52 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 2.5 m95 -110.53 -176.78 3.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -91.04 149.5 40.12 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.692 0.758 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -49.07 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.645 2.23 . . . . 0.0 112.335 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -56.85 -43.46 81.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -67.0 145.72 55.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 58.6 m -78.45 124.8 28.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.155 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 72.5 t -123.7 125.83 71.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.0 m -116.84 154.7 18.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.578 HD11 ' HB2' ' A' ' 75' ' ' LYS . 3.9 mp -118.34 147.82 21.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.32 117.45 30.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.3 mt -61.99 -29.87 70.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.478 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 1.3 m-85 -139.11 170.56 15.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.415 ' CG ' ' O ' ' A' ' 27' ' ' ASP . 17.2 p-10 -92.19 92.05 8.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -68.92 159.47 32.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.428 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 22.2 pt20 -144.07 150.35 38.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.44 143.78 25.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.191 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -91.2 -18.03 25.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.25 145.6 34.47 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.605 0.717 . . . . 0.0 110.855 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -43.58 2.57 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.677 2.251 . . . . 0.0 112.351 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -49.9 -43.92 49.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.953 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -82.82 156.98 23.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.3 tp -117.59 141.91 47.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.962 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.428 ' HB1' ' HA ' ' A' ' 29' ' ' GLN . . . -94.54 106.22 18.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.069 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.589 ' HG ' HG11 ' A' ' 67' ' ' VAL . 82.5 mt -65.99 163.57 16.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -123.66 143.56 50.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -63.64 136.25 57.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 56.77 50.53 12.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -139.02 126.25 21.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.463 ' OE1' ' CD1' ' A' ' 15' ' ' TRP . 21.0 mt-10 -75.37 151.88 38.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -148.04 138.15 22.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.8 m -84.29 137.59 33.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.425 HD21 ' HB3' ' A' ' 49' ' ' SER . 61.1 tp -87.88 101.34 13.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.552 HD11 ' HB2' ' A' ' 58' ' ' GLN . 88.1 mt -68.61 -66.94 0.51 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -135.59 132.26 36.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.425 ' HB3' HD21 ' A' ' 46' ' ' LEU . 60.6 p -106.84 29.69 6.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 26.1 t -41.66 -59.07 1.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.826 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.15 -179.04 6.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.4 mt -109.84 -53.87 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.119 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -74.14 -33.58 63.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 70.3 m95 -113.31 122.58 47.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 14.9 m0 -118.09 143.32 46.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -91.74 113.93 26.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 33.1 m -120.97 172.74 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.552 ' HB2' HD11 ' A' ' 47' ' ' LEU . 6.1 tt0 -134.81 120.51 19.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.535 ' CG ' ' N ' ' A' ' 60' ' ' ARG . 0.6 OUTLIER -63.4 170.13 3.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.535 ' N ' ' CG ' ' A' ' 59' ' ' ASP . 25.7 tpt85 -63.8 -41.5 97.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -68.34 -49.6 59.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 144.32 33.28 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -107.21 116.88 32.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.724 0.297 . . . . 0.0 110.821 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.483 ' HG2' HD11 ' A' ' 47' ' ' LEU . 4.1 mp0 -109.42 175.56 5.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 153.44 -175.17 31.93 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.526 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -94.38 131.42 40.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.945 0.402 . . . . 0.0 110.876 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.589 HG11 ' HG ' ' A' ' 38' ' ' LEU . 3.7 m -136.7 151.44 72.61 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.61 0.719 . . . . 0.0 111.134 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 105.04 1.42 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.677 2.251 . . . . 0.0 112.367 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 84.6 p -40.77 -30.17 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -49.06 -46.85 45.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.846 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.478 ' CE2' ' HB2' ' A' ' 26' ' ' TYR . 3.6 m-85 -68.35 -41.38 80.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.95 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.401 HD11 HG23 ' A' ' 67' ' ' VAL . 48.7 mt -68.54 143.19 55.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.942 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.407 HG22 ' HB ' ' A' ' 23' ' ' ILE . 2.0 m -142.93 134.13 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -64.61 119.34 10.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.578 ' HB2' HD11 ' A' ' 23' ' ' ILE . 81.1 tttt -62.67 117.37 6.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.47 143.73 97.34 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.636 0.732 . . . . 0.0 110.887 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 -34.41 14.91 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.711 2.274 . . . . 0.0 112.31 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -109.7 156.66 19.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 28.5 t30 65.55 46.01 2.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.2 mp -56.96 117.62 4.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.414 ' H ' ' CD ' ' A' ' 81' ' ' GLU . 1.2 pm0 -99.21 63.56 1.32 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.1 m -95.12 14.41 22.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -55.79 129.72 40.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -126.98 109.85 12.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 14.5 p90 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.939 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.7 p -59.33 -49.8 76.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.91 0.386 . . . . 0.0 110.838 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.6 p -90.36 156.52 18.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.824 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.67 127.62 5.59 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.43 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.1 m -103.22 152.1 21.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.838 0.351 . . . . 0.0 110.834 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -154.92 156.84 36.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.08 40.63 1.62 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.535 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 44.33 42.35 5.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.852 0.358 . . . . 0.0 110.891 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -74.57 128.35 35.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -88.18 -54.3 4.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.31 167.08 21.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.481 ' CD ' ' HD2' ' A' ' 13' ' ' PRO . 9.0 tpp85 -164.55 138.87 4.3 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.589 0.709 . . . . 0.0 110.911 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.481 ' HD2' ' CD ' ' A' ' 12' ' ' ARG . 54.2 Cg_endo -69.73 164.46 34.41 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.655 2.237 . . . . 0.0 112.338 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.3 mp -102.24 -66.17 0.94 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 9.3 m0 -83.5 -63.69 1.31 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -167.34 147.83 4.83 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.611 0.72 . . . . 0.0 110.905 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -49.9 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.717 2.278 . . . . 0.0 112.346 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -68.29 -41.8 80.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -66.0 146.69 54.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.5 m -96.79 110.26 22.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.142 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -93.9 121.32 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.0 m -114.03 155.54 15.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.498 HD11 ' HD3' ' A' ' 75' ' ' LYS . 32.7 mt -121.57 145.03 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.171 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.74 148.05 24.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.856 HD21 HG11 ' A' ' 73' ' ' VAL . 15.7 mt -94.93 -34.26 12.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.564 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 4.1 m-85 -131.17 149.46 52.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -72.72 92.61 1.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -71.15 150.35 45.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -132.27 150.08 52.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.6 t -166.96 141.59 3.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.105 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -112.73 42.56 1.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -134.33 144.13 49.83 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.586 0.708 . . . . 0.0 110.873 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -19.26 36.05 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.619 2.212 . . . . 0.0 112.349 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -83.94 -16.15 45.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -115.39 162.6 16.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.471 ' HG ' ' N ' ' A' ' 37' ' ' ALA . 23.7 tp -123.47 156.74 34.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.471 ' N ' ' HG ' ' A' ' 36' ' ' LEU . . . -102.78 102.84 13.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.427 ' HG ' HG11 ' A' ' 67' ' ' VAL . 41.2 mt -69.54 154.26 42.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -110.97 140.03 45.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 17.6 ttp180 -62.74 127.39 31.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 35.3 m-20 60.03 52.23 5.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.868 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -136.36 137.47 40.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.492 ' O ' ' CD1' ' A' ' 44' ' ' TYR . 74.3 mt-10 -79.96 157.62 26.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.492 ' CD1' ' O ' ' A' ' 43' ' ' GLU . 36.1 m-85 -150.11 150.87 32.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.893 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 50.9 t -94.92 120.55 35.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.448 ' HA ' HG12 ' A' ' 57' ' ' VAL . 25.4 tp -76.88 99.21 5.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.71 HD11 ' HB2' ' A' ' 58' ' ' GLN . 11.5 mt -67.52 -63.81 0.98 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -134.33 148.6 50.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 91.2 p -123.8 38.66 4.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.2 t -47.61 -52.73 16.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -94.48 -178.02 4.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 52.4 mt -112.85 -46.81 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -74.17 -31.57 62.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.82 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -119.98 117.21 27.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 9.3 m0 -110.69 146.91 35.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.9 ttt85 -101.59 113.13 25.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.448 HG12 ' HA ' ' A' ' 46' ' ' LEU . 11.0 m -125.44 170.89 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.163 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.71 ' HB2' HD11 ' A' ' 47' ' ' LEU . 20.4 tt0 -123.75 115.88 22.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.439 ' OD1' HD11 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -58.49 168.89 1.01 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 47.4 ptt85 -64.18 -18.72 64.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -77.39 -40.28 44.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.86 -4.05 5.7 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.533 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -85.08 165.7 17.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.784 0.326 . . . . 0.0 110.843 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.406 ' HG2' HD11 ' A' ' 47' ' ' LEU . 10.2 mt-10 -140.13 176.03 9.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 165.86 170.3 30.6 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.485 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -85.0 106.87 16.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.872 0.368 . . . . 0.0 110.899 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.427 HG11 ' HG ' ' A' ' 38' ' ' LEU . 7.3 m -111.67 153.37 44.35 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.642 0.734 . . . . 0.0 111.078 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 115.53 4.14 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.712 2.274 . . . . 0.0 112.361 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 75.5 p -51.37 -34.48 34.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.6 p -49.6 -42.08 43.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 26' ' ' TYR . 3.1 m-85 -70.32 -45.23 66.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.917 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 96.2 mt -69.58 138.44 53.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.856 HG11 HD21 ' A' ' 25' ' ' LEU . 2.2 m -131.51 145.24 35.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -71.4 110.72 6.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.498 ' HD3' HD11 ' A' ' 23' ' ' ILE . 35.0 tptt -47.32 106.1 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.8 m -54.12 145.07 36.4 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.678 0.751 . . . . 0.0 110.861 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -172.44 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.66 2.24 . . . . 0.0 112.357 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -113.06 123.36 50.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 -145.9 146.48 31.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.8 tp 48.34 46.62 20.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -93.55 39.96 1.07 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.1 m -87.84 16.63 5.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -120.85 135.17 55.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -127.49 105.7 8.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 18.7 p-90 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.909 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 t -66.05 113.58 4.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.898 0.38 . . . . 0.0 110.823 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.7 m -132.56 97.18 4.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.95 60.19 0.14 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.493 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -88.38 -59.45 2.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.9 0.381 . . . . 0.0 110.884 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.9 p -71.82 154.52 41.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.847 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.21 82.3 0.39 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.53 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -95.21 111.27 23.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.839 0.352 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -160.65 154.97 23.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.443 ' OD1' ' C ' ' A' ' 10' ' ' ASN . 9.3 t-20 -148.9 115.13 5.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -96.35 166.72 11.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.478 ' CG ' ' HD2' ' A' ' 13' ' ' PRO . 13.5 ttm180 -88.89 140.58 29.33 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.622 0.725 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.478 ' HD2' ' CG ' ' A' ' 12' ' ' ARG . 54.1 Cg_endo -69.73 162.0 43.77 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.373 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.6 mt -99.63 -45.1 5.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 4.8 m95 -66.88 -175.59 0.43 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -101.87 151.68 38.01 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.645 0.736 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -34.07 15.07 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.664 2.243 . . . . 0.0 112.34 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -77.21 -40.43 45.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -53.98 158.22 2.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 61.3 m -100.75 95.84 6.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.183 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.7 t -97.6 138.83 21.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.815 ' CG2' HD22 ' A' ' 72' ' ' LEU . 16.5 m -124.39 170.71 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.437 HD11 ' CD ' ' A' ' 75' ' ' LYS . 13.7 mt -135.64 145.1 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.099 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 39' ' ' ARG . . . -89.67 125.36 35.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.043 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.1 mt -76.21 -28.45 57.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -135.16 155.53 50.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.442 ' CG ' ' O ' ' A' ' 27' ' ' ASP . 7.8 p-10 -81.74 93.45 6.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.543 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 88.2 t80 -77.18 145.01 37.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -124.47 139.29 54.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.945 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.435 ' O ' HG23 ' A' ' 30' ' ' THR . 5.2 t -159.21 117.6 2.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.159 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -89.39 40.88 1.01 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -118.42 147.67 42.35 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.6 0.714 . . . . 0.0 110.899 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -43.74 2.49 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.704 2.269 . . . . 0.0 112.348 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -70.98 -31.17 67.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -91.08 163.99 14.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.9 tp -134.87 143.98 47.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -88.96 101.97 14.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.067 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.541 ' HG ' HG11 ' A' ' 67' ' ' VAL . 11.8 mt -64.48 143.03 58.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.952 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.545 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 11.2 tpt180 -99.69 139.28 35.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.512 ' O ' ' ND2' ' A' ' 41' ' ' ASN . 10.8 ttp-105 -63.47 147.42 51.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.512 ' ND2' ' O ' ' A' ' 40' ' ' ARG . 0.4 OUTLIER 42.15 49.54 4.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -135.2 140.6 45.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.466 ' O ' ' CD2' ' A' ' 44' ' ' TYR . 35.1 mt-10 -77.82 162.89 26.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.466 ' CD2' ' O ' ' A' ' 43' ' ' GLU . 59.2 m-85 -158.18 127.95 5.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.967 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 21.4 t -81.37 119.17 23.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.612 HD12 HG12 ' A' ' 57' ' ' VAL . 23.6 tp -70.65 126.02 28.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.487 HD11 ' HB2' ' A' ' 58' ' ' GLN . 63.9 mt -93.16 -58.21 2.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.43 147.97 37.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.3 p -123.79 33.62 5.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.2 t -52.59 -37.64 58.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -100.95 178.6 4.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 65.6 mt -110.43 -60.41 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.184 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -63.56 -46.77 84.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 67.9 m95 -103.34 112.82 25.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 11.8 m0 -105.55 141.4 37.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.922 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 38.5 ttt-85 -94.27 123.7 37.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.612 HG12 HD12 ' A' ' 46' ' ' LEU . 4.5 m -139.92 173.32 10.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.487 ' HB2' HD11 ' A' ' 47' ' ' LEU . 30.2 tt0 -131.21 135.21 47.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -78.28 171.68 14.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.0 -30.37 67.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -71.12 -42.22 69.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 133.56 28.16 0.53 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.512 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -107.89 167.28 10.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.764 0.316 . . . . 0.0 110.831 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -162.74 168.8 20.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 162.24 170.52 27.14 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.469 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -75.99 115.4 15.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.94 0.4 . . . . 0.0 110.939 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.541 HG11 ' HG ' ' A' ' 38' ' ' LEU . 4.6 m -126.15 153.88 74.26 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.584 0.707 . . . . 0.0 111.136 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 112.49 3.09 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.709 2.273 . . . . 0.0 112.352 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.9 p -48.09 -23.48 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.6 m -55.64 -43.24 76.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.543 ' CE2' ' HB2' ' A' ' 28' ' ' TYR . 3.1 m-85 -68.96 -43.64 74.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.815 HD22 ' CG2' ' A' ' 22' ' ' VAL . 98.6 mt -67.71 149.1 50.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.0 m -148.47 135.02 12.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.161 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -65.0 119.24 10.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.437 ' CD ' HD11 ' A' ' 23' ' ' ILE . 14.1 tptp -42.26 115.36 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.3 m -118.06 83.02 18.53 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.635 0.731 . . . . 0.0 110.839 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -34.31 14.75 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.686 2.257 . . . . 0.0 112.325 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -39.84 -55.6 1.94 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -165.44 162.25 19.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.514 ' H ' HD12 ' A' ' 80' ' ' LEU . 4.9 mp -78.23 130.92 36.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -88.09 44.43 1.2 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.959 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.415 HG22 ' N ' ' A' ' 83' ' ' TYR . 33.2 m -76.71 154.32 34.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.149 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' TYR . . . . . 0.415 ' N ' HG22 ' A' ' 82' ' ' THR . 4.0 t80 -66.7 176.35 2.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.961 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -146.51 107.96 4.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 7.6 t-105 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.973 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.429 -0.269 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -85.78 126.35 33.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.85 0.357 . . . . 0.0 110.85 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 t -81.51 -51.36 8.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.13 -176.81 17.38 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.501 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.6 p -131.27 122.87 27.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.376 . . . . 0.0 110.863 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.4 p -135.15 157.86 45.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.843 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.39 96.23 0.12 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.83 170.3 16.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.858 0.361 . . . . 0.0 110.866 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -106.53 -59.1 1.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -152.29 144.39 23.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -82.48 43.42 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.463 ' CD ' ' HD2' ' A' ' 13' ' ' PRO . 13.6 tpp180 -156.77 138.91 10.24 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.571 0.7 . . . . 0.0 110.851 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.463 ' HD2' ' CD ' ' A' ' 12' ' ' ARG . 53.6 Cg_endo -69.77 166.83 26.27 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.641 2.227 . . . . 0.0 112.367 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.4 mt -71.71 -52.93 15.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.498 ' HB3' HG21 ' A' ' 21' ' ' VAL . 20.6 m95 -95.94 -175.65 3.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -119.41 151.97 52.11 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.599 0.714 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -27.78 26.06 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.672 2.248 . . . . 0.0 112.328 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -64.8 -36.11 83.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -88.34 144.74 26.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.7 m -82.31 93.61 7.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.152 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.498 HG21 ' HB3' ' A' ' 15' ' ' TRP . 93.2 t -97.1 122.61 48.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.152 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.7 m -110.71 164.07 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.424 ' HB ' HG22 ' A' ' 73' ' ' VAL . 15.8 mt -128.33 148.56 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.97 129.8 40.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.103 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.479 HD21 HG11 ' A' ' 73' ' ' VAL . 8.7 mt -77.49 -38.77 48.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.42 ' CD1' ' HB2' ' A' ' 25' ' ' LEU . 1.3 m-85 -127.84 158.77 36.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -79.59 104.24 10.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.924 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -85.07 160.08 20.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -157.17 144.19 18.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.939 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.62 HG21 ' HB3' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -139.74 164.37 30.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.18 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -103.09 -8.57 20.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -101.88 149.76 36.79 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.656 0.741 . . . . 0.0 110.816 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -46.7 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.679 2.253 . . . . 0.0 112.294 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -46.04 -45.77 16.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.62 ' HB3' HG21 ' A' ' 30' ' ' THR . 2.8 mp0 -80.76 151.39 28.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.8 tp -113.07 145.96 39.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.77 100.31 12.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.675 ' HG ' HG11 ' A' ' 67' ' ' VAL . 79.8 mt -62.08 157.31 19.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.936 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -116.4 134.17 55.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.5 ttp180 -59.93 130.62 47.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.7 m120 63.28 53.69 2.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -146.64 128.54 15.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.57 ' O ' ' CD1' ' A' ' 44' ' ' TYR . 4.7 mp0 -74.4 166.71 23.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.57 ' CD1' ' O ' ' A' ' 43' ' ' GLU . 71.9 m-85 -156.89 138.4 13.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.959 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 2.4 t -86.43 112.64 21.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.567 HD12 HG12 ' A' ' 57' ' ' VAL . 48.6 tp -61.86 134.26 56.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.466 HD11 ' HB2' ' A' ' 58' ' ' GLN . 98.0 mt -102.34 -63.97 1.11 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -137.41 148.24 46.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.9 p -122.3 46.38 2.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.4 t -62.78 -49.3 75.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.854 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -92.29 165.81 12.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 37.1 mt -94.85 -57.46 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 46.4 m-70 -68.89 -37.4 78.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 75.3 m95 -107.52 124.79 50.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -117.76 140.54 49.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -93.67 111.53 23.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.567 HG12 HD12 ' A' ' 46' ' ' LEU . 11.4 m -130.38 169.14 21.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.466 ' HB2' HD11 ' A' ' 47' ' ' LEU . 22.7 tt0 -124.46 151.09 44.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.458 ' CG ' ' N ' ' A' ' 60' ' ' ARG . 3.7 t70 -90.12 167.23 12.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.458 ' N ' ' CG ' ' A' ' 59' ' ' ASP . 34.5 ttt180 -59.28 -38.02 79.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 62.8 m-80 -70.51 -45.84 64.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 138.97 31.5 0.2 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.487 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -114.01 120.91 42.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.727 0.299 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -119.7 173.04 7.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 166.69 -161.59 35.34 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.488 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -102.21 123.69 46.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.891 0.376 . . . . 0.0 110.952 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.675 HG11 ' HG ' ' A' ' 38' ' ' LEU . 10.9 m -136.12 151.94 74.49 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.631 0.729 . . . . 0.0 111.122 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 113.87 3.51 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.72 2.28 . . . . 0.0 112.348 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 96.6 p -44.77 -36.27 3.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.869 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 73.4 m -43.91 -45.32 7.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.879 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -69.78 -42.65 73.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.931 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 89.2 mt -68.77 142.32 54.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.479 HG11 HD21 ' A' ' 25' ' ' LEU . 2.8 m -137.54 135.99 46.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.149 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -64.8 109.05 1.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -52.37 122.68 9.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.78 82.25 2.9 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.693 0.758 . . . . 0.0 110.866 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -29.92 23.09 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.668 2.245 . . . . 0.0 112.358 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -45.1 -43.47 9.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -135.92 121.55 19.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.82 111.31 23.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -124.13 50.74 1.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.9 p -147.35 170.47 17.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.17 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -149.5 145.49 26.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -116.08 94.67 4.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 10.3 p-90 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.949 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.9 p -170.82 170.94 6.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.872 0.368 . . . . 0.0 110.848 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.5 m -81.35 -54.89 5.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 108.76 67.24 0.6 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.513 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 4' ' ' GLY . 34.7 t -35.95 122.89 0.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.903 0.382 . . . . 0.0 110.872 -179.724 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.1 t -112.19 167.8 10.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.415 ' C ' ' OE1' ' A' ' 8' ' ' GLU . . . 139.82 133.81 3.05 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.461 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.415 ' OE1' ' C ' ' A' ' 7' ' ' GLY . 8.2 mp0 -134.86 122.52 22.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.904 0.383 . . . . 0.0 110.866 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -67.64 89.29 0.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -67.5 82.66 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.9 mmt85 -122.07 147.07 46.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.466 ' CG ' ' HD2' ' A' ' 13' ' ' PRO . 38.5 ttp180 -96.78 139.71 21.74 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.642 0.734 . . . . 0.0 110.851 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.466 ' HD2' ' CG ' ' A' ' 12' ' ' ARG . 53.4 Cg_endo -69.75 155.54 65.71 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.731 2.288 . . . . 0.0 112.281 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 mp -63.29 -36.2 82.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.49 ' CD1' ' N ' ' A' ' 15' ' ' TRP . 1.2 m95 -110.93 172.59 6.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -77.06 144.87 72.58 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.652 0.739 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -35.95 11.59 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.678 2.252 . . . . 0.0 112.282 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.71 -13.11 60.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -85.29 145.64 27.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.2 m -83.69 100.76 11.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.174 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.546 HG11 ' OE2' ' A' ' 43' ' ' GLU . 59.1 t -90.12 132.58 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.14 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.6 m -126.54 144.5 36.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 15.7 mt -113.56 144.79 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.46 128.39 35.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.096 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.544 HD21 HG11 ' A' ' 73' ' ' VAL . 10.2 mt -71.39 -36.31 71.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.493 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 4.2 m-85 -126.38 177.19 6.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -96.63 108.49 21.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.9 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -91.59 138.52 31.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -128.84 140.03 51.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.943 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.9 t -155.11 152.0 28.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -118.22 29.41 7.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -115.71 144.0 31.74 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.64 0.733 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -28.35 25.29 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.688 2.259 . . . . 0.0 112.373 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -78.58 -36.28 44.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -91.06 140.52 29.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.935 HD21 ' OD1' ' A' ' 59' ' ' ASP . 58.5 tp -101.22 149.95 23.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -98.98 122.93 42.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.1 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.434 ' HG ' HG11 ' A' ' 67' ' ' VAL . 46.9 mt -91.33 178.29 6.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -139.35 138.62 36.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -66.36 122.4 17.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 72.75 47.33 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -140.14 140.87 36.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.546 ' OE2' HG11 ' A' ' 21' ' ' VAL . 34.7 mt-10 -85.0 152.94 23.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.456 ' CD1' ' C ' ' A' ' 43' ' ' GLU . 60.5 m-85 -151.41 127.76 10.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 2.4 t -73.43 137.21 44.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.51 ' HA ' HG12 ' A' ' 57' ' ' VAL . 39.8 tp -88.14 108.64 19.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.648 HD11 ' HG2' ' A' ' 64' ' ' GLU . 70.2 mt -68.94 -69.23 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -129.29 160.65 32.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 90.5 p -128.47 34.18 4.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 64.4 p -47.07 -43.97 20.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.857 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -107.19 -177.32 3.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 85.9 mt -110.9 -55.89 4.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -68.95 -37.36 78.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 69.3 m95 -114.12 107.81 16.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -104.0 157.34 17.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 42.6 ttt180 -103.82 119.13 38.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.51 HG12 ' HA ' ' A' ' 46' ' ' LEU . 29.4 m -129.39 177.74 6.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.493 ' HB2' HD11 ' A' ' 47' ' ' LEU . 35.6 tt0 -135.1 112.63 10.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.935 ' OD1' HD21 ' A' ' 36' ' ' LEU . 57.5 m-20 -58.75 148.6 29.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.87 -18.67 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -78.8 -49.31 13.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 135.53 29.55 0.37 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.493 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.446 ' O ' HD13 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -119.7 123.49 43.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.771 0.319 . . . . 0.0 110.862 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.648 ' HG2' HD11 ' A' ' 47' ' ' LEU . 3.7 mt-10 -105.87 169.09 8.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 168.49 -164.95 38.47 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -107.06 124.02 49.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.906 0.384 . . . . 0.0 110.97 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.434 HG11 ' HG ' ' A' ' 38' ' ' LEU . 1.6 m -130.76 154.28 81.8 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.602 0.715 . . . . 0.0 111.165 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 109.54 2.34 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.656 2.238 . . . . 0.0 112.311 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.4 p -43.59 -33.82 1.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 40.1 t -44.69 -52.61 8.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.85 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.493 ' CE2' ' HB2' ' A' ' 26' ' ' TYR . 3.4 m-85 -61.07 -44.71 96.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.38 150.68 47.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.544 HG11 HD21 ' A' ' 25' ' ' LEU . 2.0 m -148.6 131.84 7.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -67.17 111.94 4.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.5 tptt -47.07 120.49 3.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 90.6 p -51.52 144.13 18.08 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.706 0.765 . . . . 0.0 110.839 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -26.47 27.44 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.699 2.266 . . . . 0.0 112.314 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -100.72 133.47 45.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -108.49 137.49 46.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.6 mt -114.86 172.53 6.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.957 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 59.29 42.84 17.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 61.0 m -53.48 146.56 12.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -107.75 95.16 5.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -125.89 94.19 4.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 4.3 t-105 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.2 m -147.65 150.69 34.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.868 0.366 . . . . 0.0 110.828 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 t -148.11 172.8 13.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.56 112.88 0.84 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.453 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.1 t -126.46 86.3 2.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.896 0.379 . . . . 0.0 110.81 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.3 m -124.4 116.85 23.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.57 -102.64 1.57 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.479 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -88.77 121.65 31.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 0.0 110.9 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.3 p-10 -72.97 -55.4 6.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.83 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -160.29 149.83 17.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -143.03 142.61 31.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.828 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 52.5 mtm-85 -131.01 149.15 72.93 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.577 0.703 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 140.48 42.84 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.636 2.224 . . . . 0.0 112.365 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.432 HD22 ' HE2' ' A' ' 75' ' ' LYS . 6.7 mp -72.98 -51.86 16.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.458 ' NE1' ' OE1' ' A' ' 43' ' ' GLU . 16.8 m95 -104.75 -63.9 1.17 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -161.67 146.48 10.15 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.62 0.724 . . . . 0.0 110.907 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -34.3 14.97 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.698 2.266 . . . . 0.0 112.353 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -106.34 46.84 0.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -142.83 152.46 42.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.8 m -103.28 110.45 22.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.0 t -105.31 130.31 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.13 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.401 HG21 HD13 ' A' ' 72' ' ' LEU . 28.8 m -118.47 164.23 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.191 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.3 mt -134.52 142.1 41.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 39' ' ' ARG . . . -88.84 128.57 35.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.4 mt -72.69 -36.06 67.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -124.97 152.54 44.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.957 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -77.52 94.96 4.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -77.46 135.62 38.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -114.87 127.06 55.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.671 ' O ' HG23 ' A' ' 30' ' ' THR . 12.0 t -171.05 110.96 0.35 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.2 p30 -97.77 34.71 1.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.428 ' CG ' ' H ' ' A' ' 35' ' ' GLU . 58.8 p-10 -96.11 146.29 31.06 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.612 0.72 . . . . 0.0 110.872 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -10.77 29.36 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.679 2.253 . . . . 0.0 112.37 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -92.77 -42.86 9.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.428 ' H ' ' CG ' ' A' ' 32' ' ' ASP . 37.1 mt-10 -111.17 164.62 12.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.3 tp -118.32 147.46 43.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.68 103.21 13.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.581 ' HG ' HG11 ' A' ' 67' ' ' VAL . 41.5 mt -75.0 150.21 39.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.476 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -107.01 147.55 29.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.476 ' N ' ' HD3' ' A' ' 39' ' ' ARG . 41.9 ttt180 -62.2 140.94 58.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 38.72 50.39 1.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.583 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 13.5 tp10 -122.98 146.34 47.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.458 ' OE1' ' NE1' ' A' ' 15' ' ' TRP . 30.3 mt-10 -82.24 151.29 26.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.583 ' CE2' ' HG3' ' A' ' 42' ' ' GLU . 58.8 m-85 -152.04 129.22 11.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 2.4 p -83.08 117.91 23.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.53 HD12 ' O ' ' A' ' 56' ' ' ARG . 48.5 tp -69.04 130.56 43.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.713 HD11 ' HB2' ' A' ' 58' ' ' GLN . 71.4 mt -96.84 -60.61 1.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -149.74 126.78 11.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.804 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.6 m -105.76 37.31 2.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 m -42.6 -41.42 3.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -97.64 -177.04 3.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 72.4 mt -109.39 -52.25 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.105 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -72.25 -38.85 68.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 52.7 m95 -109.06 115.27 29.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 8.7 m0 -110.9 131.0 55.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.952 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.53 ' O ' HD12 ' A' ' 46' ' ' LEU . 25.0 ttp180 -82.31 116.56 21.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.843 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 19.2 m -127.54 172.69 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.713 ' HB2' HD11 ' A' ' 47' ' ' LEU . 14.6 tt0 -137.68 138.85 39.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -78.29 162.23 26.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -59.27 -28.37 66.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -79.7 -50.25 10.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 145.93 34.5 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.518 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -109.81 119.14 38.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.485 ' HG2' HD11 ' A' ' 47' ' ' LEU . 3.6 mt-10 -110.81 179.32 4.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 147.78 167.66 13.54 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.469 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -85.57 136.51 33.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.899 0.381 . . . . 0.0 110.929 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.581 HG11 ' HG ' ' A' ' 38' ' ' LEU . 3.4 m -144.72 155.3 56.37 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.599 0.714 . . . . 0.0 111.15 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 109.82 2.4 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.5 p -42.64 -37.32 1.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.787 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.3 p -41.66 -44.2 3.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -68.96 -45.17 71.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.401 HD13 HG21 ' A' ' 22' ' ' VAL . 66.9 mt -68.75 148.89 49.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.4 m -145.04 133.35 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -63.98 110.24 2.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.432 ' HE2' HD22 ' A' ' 14' ' ' LEU . 40.5 tttp -54.48 121.67 8.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.5 m -61.13 154.68 60.17 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.696 0.76 . . . . 0.0 110.828 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -7.42 21.01 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.742 2.294 . . . . 0.0 112.33 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -48.42 152.92 0.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -121.28 131.48 54.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.455 HD12 ' C ' ' A' ' 80' ' ' LEU . 4.7 pp -133.1 168.6 18.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -76.19 94.9 3.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.8 t -101.74 144.37 30.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -67.85 155.04 40.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -103.99 42.36 1.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 12.2 t-105 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.94 -179.974 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -96.31 -50.96 4.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.932 0.396 . . . . 0.0 110.82 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.4 p -85.66 152.97 22.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.99 43.71 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.468 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.3 m -112.29 82.02 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.351 . . . . 0.0 110.836 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 t -42.61 -55.28 3.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.25 70.49 1.05 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.49 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -101.31 90.03 3.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.871 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.07 97.86 5.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.85 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -95.74 41.09 1.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.8 ttm-85 -73.69 162.88 28.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -124.33 155.02 69.08 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.6 0.714 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 157.67 59.6 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.689 2.259 . . . . 0.0 112.353 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.7 mt -65.58 -50.1 66.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.414 ' HB3' ' CD ' ' A' ' 19' ' ' GLU . 1.0 OUTLIER -82.2 172.13 13.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.908 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -100.43 157.53 33.61 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.615 0.721 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -11.51 30.9 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.658 2.239 . . . . 0.0 112.32 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 19' ' ' GLU . 18.0 pt-20 -84.12 -46.07 12.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.438 ' N ' ' HG3' ' A' ' 18' ' ' GLU . 3.5 pt-20 -68.85 132.97 47.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 50.5 m -70.64 93.5 0.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.134 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.535 HG13 ' HB3' ' A' ' 43' ' ' GLU . 63.9 t -84.64 120.79 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.609 HG21 HD13 ' A' ' 72' ' ' LEU . 15.8 m -113.68 152.76 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.523 HD12 ' N ' ' A' ' 23' ' ' ILE . 2.8 mp -118.8 144.77 26.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.47 133.26 35.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.67 HD21 HG11 ' A' ' 73' ' ' VAL . 7.4 mt -80.92 -31.06 35.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.409 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 1.7 m-85 -136.99 157.06 47.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -78.14 107.14 10.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -87.63 141.75 28.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -141.7 123.74 15.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.452 HG21 ' CB ' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -113.0 157.77 21.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.152 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -94.94 -11.22 28.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.955 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -103.8 150.35 38.1 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.619 0.723 . . . . 0.0 110.865 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -43.92 2.39 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.684 2.256 . . . . 0.0 112.34 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -46.1 -44.28 15.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.935 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.452 ' CB ' HG21 ' A' ' 30' ' ' THR . 2.4 mp0 -85.0 145.41 27.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.468 ' HG ' ' N ' ' A' ' 37' ' ' ALA . 6.2 tp -101.78 150.01 23.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.468 ' N ' ' HG ' ' A' ' 36' ' ' LEU . . . -98.09 103.51 15.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.084 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.709 ' HG ' HG11 ' A' ' 67' ' ' VAL . 37.0 mt -64.87 162.36 16.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.909 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.8 tpp180 -119.62 144.5 47.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.6 ttp85 -67.79 133.67 49.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 60.31 51.25 5.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.507 ' OE2' ' CZ2' ' A' ' 85' ' ' TRP . 18.2 mm-40 -140.03 143.25 36.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.535 ' HB3' HG13 ' A' ' 21' ' ' VAL . 17.6 mp0 -92.74 157.18 16.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.502 ' CD1' ' C ' ' A' ' 43' ' ' GLU . 26.7 m-85 -148.31 147.22 29.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.943 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 53.9 t -89.96 119.19 30.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.683 ' HA ' HG12 ' A' ' 57' ' ' VAL . 57.9 tp -72.14 119.5 16.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.721 HD11 ' HB2' ' A' ' 58' ' ' GLN . 10.5 mt -92.9 -66.5 0.92 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -132.7 119.64 20.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.815 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 88.7 p -101.85 29.18 5.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 55.6 m -40.47 -57.73 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -81.55 -179.2 7.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.8 mt -112.42 -49.23 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -77.9 -32.23 51.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 80.8 m95 -116.07 108.07 15.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 14.6 m0 -104.91 144.01 32.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 45.6 ttt180 -100.4 113.37 26.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.683 HG12 ' HA ' ' A' ' 46' ' ' LEU . 18.0 m -131.81 166.91 27.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.096 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.721 ' HB2' HD11 ' A' ' 47' ' ' LEU . 13.6 tt0 -119.14 127.9 53.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.28 -179.05 2.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.435 ' NH1' ' CG ' ' A' ' 85' ' ' TRP . 32.5 ptt180 -72.5 -23.69 61.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -71.6 -40.95 69.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 126.82 9.37 4.34 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.518 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -98.93 169.06 9.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.77 0.319 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -142.93 173.02 11.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 168.13 154.84 9.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.509 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -70.48 100.93 1.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 0.0 110.931 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.709 HG11 ' HG ' ' A' ' 38' ' ' LEU . 3.3 m -105.47 150.72 39.31 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.614 0.721 . . . . 0.0 111.117 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 104.1 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.653 2.236 . . . . 0.0 112.337 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 70' ' ' SER . 60.8 p -39.57 -45.62 1.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 69' ' ' SER . 37.5 m -36.38 -48.29 0.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.409 ' CE2' ' HB2' ' A' ' 26' ' ' TYR . 2.8 m-85 -64.69 -45.87 84.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.953 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.609 HD13 HG21 ' A' ' 22' ' ' VAL . 65.0 mt -69.93 140.87 53.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.67 HG11 HD21 ' A' ' 25' ' ' LEU . 3.9 m -132.46 137.17 54.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.14 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -67.6 111.31 4.11 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.445 ' NZ ' ' O ' ' A' ' 79' ' ' ASN . 0.0 OUTLIER -41.68 105.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 96.0 p -70.03 136.78 87.15 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.598 0.713 . . . . 0.0 110.883 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -14.45 35.94 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.654 2.236 . . . . 0.0 112.296 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -48.82 -65.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.445 ' O ' ' NZ ' ' A' ' 75' ' ' LYS . 13.0 t30 -128.64 123.44 33.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' ' 80' ' ' LEU . 3.5 mm? -86.52 124.1 32.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -116.73 98.34 6.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.4 m -94.16 141.66 28.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -135.53 123.69 23.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -109.25 98.94 8.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.507 ' CZ2' ' OE2' ' A' ' 42' ' ' GLU . 95.7 m95 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.7 m -116.1 110.28 18.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.818 0.342 . . . . 0.0 110.876 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -152.66 113.9 4.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.99 120.14 5.07 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -128.73 42.19 3.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.854 0.359 . . . . 0.0 110.836 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.2 m -99.15 120.8 40.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.807 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.63 64.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.51 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -122.14 109.06 14.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.348 . . . . 0.0 110.872 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -172.34 127.56 0.55 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -86.28 119.39 26.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.427 ' C ' ' HD3' ' A' ' 12' ' ' ARG . 22.2 mmt180 -92.55 167.6 11.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.842 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.536 HH11 ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -118.86 152.6 51.82 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.631 0.729 . . . . 0.0 110.844 -179.892 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 158.29 57.41 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.683 2.255 . . . . 0.0 112.333 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.7 mt -83.39 -57.32 3.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.53 ' HB2' HG21 ' A' ' 21' ' ' VAL . 1.7 m95 -99.61 177.59 5.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -105.98 154.78 39.27 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.647 0.737 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -20.29 35.15 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.714 2.276 . . . . 0.0 112.348 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -80.74 -43.35 20.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -74.31 134.01 42.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 21.4 m -63.55 115.06 4.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.133 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.53 HG21 ' HB2' ' A' ' 15' ' ' TRP . 88.0 t -118.1 124.91 73.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.084 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.5 m -115.65 166.77 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.425 ' N ' HD12 ' A' ' 23' ' ' ILE . 2.7 mp -132.52 145.86 33.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.143 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.57 109.72 21.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.458 HD21 HG11 ' A' ' 73' ' ' VAL . 16.1 mt -55.32 -41.27 72.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -125.88 160.63 29.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -81.01 102.76 10.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.858 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -88.47 142.01 28.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.913 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.449 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 1.7 pp0? -132.25 152.41 51.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.8 t -170.09 141.27 2.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.107 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -112.06 35.51 3.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.75 147.41 34.21 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.605 0.717 . . . . 0.0 110.875 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -24.75 29.36 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.35 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -107.83 34.78 3.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -150.01 169.9 20.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.438 ' HG ' ' N ' ' A' ' 37' ' ' ALA . 12.4 tp -138.67 151.71 47.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.449 ' HB1' ' HA ' ' A' ' 29' ' ' GLN . . . -103.01 109.43 20.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.621 ' HG ' HG11 ' A' ' 67' ' ' VAL . 91.1 mt -79.0 157.84 28.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.943 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.9 ttt85 -111.65 142.68 43.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.424 ' NH1' ' HB2' ' A' ' 40' ' ' ARG . 22.1 ttm105 -67.33 127.38 32.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 71.36 38.35 1.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -128.76 138.63 52.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -90.36 153.3 20.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.461 ' CD2' ' HA ' ' A' ' 59' ' ' ASP . 57.1 m-85 -143.52 163.45 33.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 2.7 t -105.41 116.08 31.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.8 tp -67.23 106.84 2.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.617 HD11 ' HG2' ' A' ' 64' ' ' GLU . 27.3 mt -70.03 -62.46 1.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -145.32 147.75 32.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 45.5 p -112.5 31.33 6.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.1 t -38.92 -47.08 1.39 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -104.45 -179.11 3.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 81.6 mt -108.5 -56.42 4.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.127 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -66.52 -28.42 68.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -121.72 123.97 43.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 19.7 m0 -117.36 148.39 41.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 60.1 ttt180 -98.07 126.32 43.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.3 m -135.41 172.44 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -135.27 108.68 7.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.461 ' HA ' ' CD2' ' A' ' 44' ' ' TYR . 29.5 t70 -47.54 168.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -65.49 -34.38 78.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -73.19 -50.12 24.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 144.67 37.13 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -111.25 120.81 43.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.794 0.331 . . . . 0.0 110.842 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.617 ' HG2' HD11 ' A' ' 47' ' ' LEU . 17.0 mt-10 -108.63 169.03 8.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 159.95 -175.67 36.75 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.528 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -101.08 122.95 44.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.927 0.394 . . . . 0.0 110.913 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.621 HG11 ' HG ' ' A' ' 38' ' ' LEU . 6.6 m -128.01 153.75 78.4 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.646 0.736 . . . . 0.0 111.138 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.413 ' HG2' ' CD1' ' A' ' 71' ' ' TYR . 54.1 Cg_endo -69.69 112.12 2.98 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.708 2.272 . . . . 0.0 112.366 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 81.8 p -44.83 -34.25 2.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 31.8 m -45.59 -40.25 8.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.848 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.413 ' CD1' ' HG2' ' A' ' 68' ' ' PRO . 6.1 m-85 -73.44 -43.2 60.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.989 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 92.2 mt -70.67 142.49 51.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.458 HG11 HD21 ' A' ' 25' ' ' LEU . 2.1 m -141.12 134.77 31.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.128 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -64.7 114.92 4.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.2 tptp -43.8 106.21 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.2 m -45.59 146.08 1.91 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.66 0.743 . . . . 0.0 110.892 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -14.66 36.55 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.671 2.247 . . . . 0.0 112.353 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -109.22 95.97 5.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -59.42 120.88 10.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.3 mp -95.24 141.19 29.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -128.86 92.45 3.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.559 HG22 ' O ' ' A' ' 82' ' ' THR . 11.2 m -83.98 23.96 0.97 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.112 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -126.08 88.02 2.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.406 ' O ' ' CG ' ' A' ' 84' ' ' GLU . 7.1 pt-20 -87.31 93.83 9.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 9.8 m95 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.971 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.3 m -156.89 156.92 33.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.373 . . . . 0.0 110.861 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.9 m -124.37 146.85 48.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.92 56.45 0.71 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.8 t -83.37 87.36 6.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.878 0.371 . . . . 0.0 110.813 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.1 m -149.46 133.84 17.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.43 -82.25 0.89 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.456 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -100.34 43.16 1.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.896 0.379 . . . . 0.0 110.912 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 63.61 33.29 13.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 58.72 46.06 14.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -122.24 152.06 40.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.471 ' CG ' ' HD2' ' A' ' 13' ' ' PRO . 34.5 ttp180 -167.12 139.4 2.77 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.583 0.706 . . . . 0.0 110.865 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.471 ' HD2' ' CG ' ' A' ' 12' ' ' ARG . 54.0 Cg_endo -69.75 172.41 12.67 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.667 2.244 . . . . 0.0 112.341 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.2 mp -104.78 -53.42 2.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.6 m95 -100.44 -176.28 3.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -118.26 149.14 45.25 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.654 0.74 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -3.8 12.71 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.681 2.254 . . . . 0.0 112.371 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -95.69 -36.83 11.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -76.64 149.35 36.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.3 m -82.6 103.22 11.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.167 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 75.7 t -99.84 144.06 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.127 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.456 HG12 ' HA ' ' A' ' 74' ' ' GLU . 4.3 m -138.7 139.29 41.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.099 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.85 HD11 ' HG2' ' A' ' 75' ' ' LYS . 3.2 mp -104.12 146.0 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 39' ' ' ARG . . . -89.57 124.83 34.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.078 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.628 HD21 HG11 ' A' ' 73' ' ' VAL . 11.3 mt -67.45 -33.31 74.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.964 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -132.06 171.7 13.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.47 71.9 3.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.859 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -43.89 147.92 0.44 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -119.97 128.94 54.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.466 ' O ' HG23 ' A' ' 30' ' ' THR . 5.2 t -169.33 114.67 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -100.44 37.58 1.66 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.446 ' OD2' ' CD ' ' A' ' 35' ' ' GLU . 42.6 p30 -106.77 143.91 27.99 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.574 0.702 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -8.76 24.42 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.648 2.232 . . . . 0.0 112.33 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.6 mp0 -94.18 -43.24 8.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.446 ' CD ' ' OD2' ' A' ' 32' ' ' ASP . 11.7 mt-10 -107.23 153.99 21.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.528 HD11 ' HB2' ' A' ' 63' ' ' HIS . 6.0 tp -108.49 152.17 25.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.47 ' N ' ' HG ' ' A' ' 36' ' ' LEU . . . -93.52 100.42 12.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.134 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.786 ' HG ' HG11 ' A' ' 67' ' ' VAL . 36.1 mt -61.59 162.52 8.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' A' ' 40' ' ' ARG . 15.2 tpt180 -123.01 145.29 48.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.421 ' N ' ' HG3' ' A' ' 39' ' ' ARG . 32.7 ttt180 -65.1 129.63 40.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 63.17 41.89 7.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -128.77 130.95 47.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -82.2 158.93 23.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.418 ' CE2' ' OD1' ' A' ' 59' ' ' ASP . 75.8 m-85 -151.8 129.09 11.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.7 p -72.75 131.06 41.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.417 ' HA ' HG12 ' A' ' 57' ' ' VAL . 48.7 tp -78.74 105.79 10.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 43.5 mt -76.71 -69.14 0.53 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.873 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -137.26 130.34 30.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 83.0 p -106.93 31.84 5.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.835 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.2 t -43.47 -48.49 7.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -88.95 179.48 6.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 69.6 mt -109.49 -53.71 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.137 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -76.03 -26.97 57.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 59.5 m95 -117.58 122.03 42.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 20.0 m0 -117.97 143.93 45.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.94 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 -96.2 118.53 32.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.417 HG12 ' HA ' ' A' ' 46' ' ' LEU . 17.7 m -133.93 166.31 29.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.165 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -119.91 140.54 50.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.418 ' OD1' ' CE2' ' A' ' 44' ' ' TYR . 13.9 t70 -77.01 166.22 23.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -71.53 -4.45 26.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 55.5 m-20 -109.04 -37.85 5.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 135.6 42.38 0.12 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.508 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.528 ' HB2' HD11 ' A' ' 36' ' ' LEU . 1.2 m-70 -123.32 119.48 30.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.708 0.29 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -111.04 169.28 8.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 158.49 162.64 12.03 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.533 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -81.85 117.26 21.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.915 0.388 . . . . 0.0 110.932 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.786 HG11 ' HG ' ' A' ' 38' ' ' LEU . 0.8 OUTLIER -121.47 157.1 57.25 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.626 0.727 . . . . 0.0 111.144 179.873 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 69' ' ' SER . 54.0 Cg_endo -69.76 102.28 1.01 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.669 2.246 . . . . 0.0 112.376 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 68' ' ' PRO . 96.1 p -36.88 -34.75 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 35.7 m -44.34 -50.05 9.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -64.67 -45.14 87.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.454 HD22 HG23 ' A' ' 22' ' ' VAL . 92.8 mt -69.51 131.89 45.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.947 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.628 HG11 HD21 ' A' ' 25' ' ' LEU . 2.1 m -122.23 135.17 63.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.456 ' HA ' HG12 ' A' ' 22' ' ' VAL . 7.2 tt0 -50.82 110.85 0.46 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.85 ' HG2' HD11 ' A' ' 23' ' ' ILE . 8.2 tmtm? -67.18 122.9 18.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.8 p -157.35 146.91 15.21 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.652 0.739 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -23.57 30.62 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.647 2.232 . . . . 0.0 112.375 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -160.26 130.52 5.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -41.31 140.3 0.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.504 ' O ' HD12 ' A' ' 80' ' ' LEU . 4.2 pp -57.08 153.94 10.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -127.72 81.02 1.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 63.5 p -140.27 110.5 6.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.159 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -137.57 126.48 24.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -110.62 87.84 2.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 5.2 p90 . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.898 -179.976 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.3 t -134.26 124.81 26.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.881 0.372 . . . . 0.0 110.821 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.4 t -78.25 110.37 13.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.63 152.67 29.52 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.476 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.8 p -163.75 148.96 10.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.848 0.356 . . . . 0.0 110.884 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.3 m -79.5 106.92 11.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.13 122.13 5.9 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.486 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -169.49 127.1 0.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 110.904 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -92.91 157.01 16.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -131.69 154.08 49.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -83.09 136.93 34.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -68.7 158.34 85.93 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.616 0.722 . . . . 0.0 110.848 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 155.2 66.46 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.626 2.217 . . . . 0.0 112.379 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.3 mp -77.2 -46.96 21.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.952 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.449 ' HB3' HG21 ' A' ' 21' ' ' VAL . 15.4 m95 -94.21 -177.99 4.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -112.13 159.51 33.46 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.651 0.739 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -41.37 4.39 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.695 2.263 . . . . 0.0 112.363 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.41 ' HG3' ' CD ' ' A' ' 19' ' ' GLU . 9.4 pt-20 -64.86 -45.98 83.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.41 ' CD ' ' HG3' ' A' ' 18' ' ' GLU . 1.7 mp0 -65.62 128.68 36.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.0 m -75.08 106.75 6.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.102 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.449 HG21 ' HB3' ' A' ' 15' ' ' TRP . 64.6 t -114.86 135.18 55.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.472 HG21 HD13 ' A' ' 72' ' ' LEU . 10.7 m -116.99 168.43 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.444 ' N ' HD12 ' A' ' 23' ' ' ILE . 3.4 mp -131.5 145.3 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.62 128.45 35.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.082 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.651 HD21 HG11 ' A' ' 73' ' ' VAL . 8.7 mt -77.04 -40.8 45.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -130.24 162.25 29.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -77.58 113.7 15.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.872 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -99.33 133.89 42.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -126.8 153.68 45.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.7 t -151.51 151.4 31.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.093 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -86.82 -29.04 22.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -82.37 143.86 48.91 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.604 0.716 . . . . 0.0 110.852 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -43.18 2.81 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.667 2.245 . . . . 0.0 112.343 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -44.43 -44.15 8.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.961 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.9 mp0 -85.65 136.41 33.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.473 ' O ' HG12 ' A' ' 67' ' ' VAL . 9.2 tp -95.59 145.41 25.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -92.73 104.05 16.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.12 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.525 ' HG ' HG11 ' A' ' 67' ' ' VAL . 83.7 mt -58.47 171.44 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.33 136.65 45.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 30.6 ttt-85 -60.96 129.92 43.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 61.73 52.66 3.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -145.37 130.16 18.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.44 ' HB3' ' CG1' ' A' ' 21' ' ' VAL . 4.3 mp0 -78.38 162.39 26.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.404 ' CD1' ' O ' ' A' ' 43' ' ' GLU . 71.2 m-85 -152.45 127.71 9.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 4.9 m -73.64 121.38 20.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.831 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.471 ' HA ' HG12 ' A' ' 57' ' ' VAL . 35.4 tp -69.38 122.48 19.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.932 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.41 HD12 ' HG2' ' A' ' 56' ' ' ARG . 93.6 mt -91.15 -52.52 4.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.915 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -168.14 120.49 0.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 50' ' ' SER . 2.0 m -86.03 36.08 0.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 49' ' ' SER . 54.5 m -36.32 -45.14 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -100.3 165.42 11.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.3 mp -83.4 -70.93 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -62.24 -42.57 99.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.2 m95 -96.7 118.75 33.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -113.64 138.69 49.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.41 ' HG2' HD12 ' A' ' 47' ' ' LEU . 19.1 ttp180 -86.27 122.78 30.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.471 HG12 ' HA ' ' A' ' 46' ' ' LEU . 17.5 m -142.99 164.61 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -126.36 141.39 51.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -75.49 171.33 14.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 32.9 ttt85 -67.34 -36.52 81.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -71.68 -52.4 18.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 149.13 36.17 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.504 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -118.52 111.22 18.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.753 0.311 . . . . 0.0 110.86 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.13 174.94 5.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 160.96 -168.17 36.21 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -98.45 112.98 24.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.96 0.409 . . . . 0.0 110.881 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.525 HG11 ' HG ' ' A' ' 38' ' ' LEU . 12.7 m -121.5 153.76 59.31 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.647 0.737 . . . . 0.0 111.108 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 105.32 1.46 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.698 2.265 . . . . 0.0 112.359 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 72' ' ' LEU . 91.2 p -38.67 -46.28 1.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 69' ' ' SER . 60.9 p -35.75 -50.71 0.65 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -62.76 -40.52 97.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.916 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 69' ' ' SER . 84.3 mt -71.83 143.59 49.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.956 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.651 HG11 HD21 ' A' ' 25' ' ' LEU . 10.5 m -132.18 141.18 46.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.175 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -72.1 104.21 3.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.4 ttpt -38.92 117.08 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 33.3 t -118.68 142.98 32.6 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.675 0.75 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -7.47 21.13 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.379 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -52.84 161.35 0.77 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 59.71 43.5 15.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.407 HD12 ' C ' ' A' ' 80' ' ' LEU . 4.5 pp -97.07 154.91 17.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 65.82 40.05 4.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.3 m -103.07 25.81 8.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.186 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -109.72 89.71 3.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.83 43.25 0.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.864 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 40.0 t90 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.997 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.5 t -101.61 138.94 37.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.846 0.355 . . . . 0.0 110.874 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.9 p -45.03 130.58 7.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.67 -127.19 1.86 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.517 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.2 m -41.16 145.02 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.856 0.36 . . . . 0.0 110.863 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -120.01 107.85 13.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.46 66.14 0.23 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.509 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.416 ' O ' ' CG ' ' A' ' 9' ' ' ASP . 7.5 mp0 -121.97 81.92 1.89 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.814 0.34 . . . . 0.0 110.859 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.416 ' CG ' ' O ' ' A' ' 8' ' ' GLU . 3.5 m-20 -162.17 157.22 22.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.434 ' C ' ' HD3' ' A' ' 11' ' ' ARG . 11.0 m120 -115.27 172.34 7.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.526 HH11 ' N ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -118.88 146.66 44.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.0 mtt-85 -77.42 143.92 69.45 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.577 0.703 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 147.1 62.05 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.691 2.26 . . . . 0.0 112.326 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.2 mp -81.84 -65.29 1.03 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.929 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -99.95 -176.18 3.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -75.68 144.45 76.96 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.632 0.729 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -47.52 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.717 2.278 . . . . 0.0 112.321 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -64.92 -43.48 92.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -60.86 150.15 33.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.4 m -91.29 116.78 29.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.198 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.8 t -101.4 135.48 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.8 m -129.37 153.87 39.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.111 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.616 HD11 ' HD3' ' A' ' 75' ' ' LYS . 17.2 mt -122.96 144.36 32.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.077 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.46 132.27 33.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.091 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.485 HD21 HG11 ' A' ' 73' ' ' VAL . 14.5 mt -79.47 -32.29 42.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.559 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 0.7 OUTLIER -133.07 156.88 46.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -76.9 95.31 4.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.821 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -80.87 144.55 31.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -131.23 153.13 49.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.931 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.1 t -168.07 144.08 3.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -115.08 40.44 2.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -132.57 147.3 65.03 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.587 0.708 . . . . 0.0 110.867 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -33.24 17.05 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.652 2.234 . . . . 0.0 112.348 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -70.7 -25.55 63.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -113.43 151.49 31.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.582 HD22 ' HA ' ' A' ' 64' ' ' GLU . 9.9 tp -118.43 149.91 40.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.419 ' N ' ' HG ' ' A' ' 36' ' ' LEU . . . -95.47 128.7 42.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 42.7 mt -96.09 167.1 11.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.442 ' HB3' ' CG ' ' A' ' 42' ' ' GLU . 11.2 ttp180 -122.51 150.8 42.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.2 ttp180 -72.14 124.98 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 41' ' ' ASN . 1.0 OUTLIER 66.93 46.37 1.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.908 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.442 ' CG ' ' HB3' ' A' ' 39' ' ' ARG . 26.2 mm-40 -132.05 133.37 44.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.404 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 36.5 mt-10 -83.0 155.14 24.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.404 ' CD1' ' C ' ' A' ' 43' ' ' GLU . 62.1 m-85 -148.91 144.67 27.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.943 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 49.7 t -89.88 124.57 34.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 26.1 tp -75.63 118.48 18.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.459 HD11 ' HB2' ' A' ' 58' ' ' GLN . 50.3 mt -82.87 -56.03 4.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -145.63 143.18 29.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 98.3 p -115.03 36.37 3.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.1 t -48.17 -55.17 11.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.82 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -88.55 171.7 9.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 27.9 mt -101.03 -55.5 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.143 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -70.66 -32.83 70.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -113.7 125.72 54.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 15.3 m0 -119.68 143.27 47.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.7 ttt180 -97.19 105.92 18.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.495 HG11 ' CD1' ' A' ' 72' ' ' LEU . 11.9 m -119.98 167.4 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.459 ' HB2' HD11 ' A' ' 47' ' ' LEU . 31.3 tt0 -123.74 141.09 52.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -83.5 163.91 20.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -60.18 -28.03 67.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -77.69 -48.31 17.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 139.8 34.7 0.14 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.522 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -121.34 129.74 53.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.728 0.299 . . . . 0.0 110.845 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.582 ' HA ' HD22 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -127.49 179.27 5.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 161.3 -175.65 37.9 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -90.79 105.06 17.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.956 0.407 . . . . 0.0 110.887 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.0 m -112.8 153.26 45.18 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.651 0.739 . . . . 0.0 111.13 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 106.5 1.68 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.616 2.21 . . . . 0.0 112.336 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.2 p -39.24 -35.09 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.832 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 61.3 m -44.36 -45.8 9.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.559 ' CE2' ' HB2' ' A' ' 26' ' ' TYR . 3.3 m-85 -69.98 -42.67 72.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.972 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.495 ' CD1' HG11 ' A' ' 57' ' ' VAL . 65.9 mt -70.48 141.27 52.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.485 HG11 HD21 ' A' ' 25' ' ' LEU . 1.9 m -138.45 132.18 41.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -65.77 108.77 2.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.616 ' HD3' HD11 ' A' ' 23' ' ' ILE . 16.2 tptp -47.77 102.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.958 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 48.6 m -58.65 144.02 80.77 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.726 0.774 . . . . 0.0 110.824 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -23.17 31.18 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.698 2.266 . . . . 0.0 112.354 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -120.44 110.6 16.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -55.79 152.09 10.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.1 mt -94.02 58.39 2.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -83.69 80.93 8.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.5 t -170.63 151.45 3.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.128 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -60.25 121.18 11.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -124.67 97.76 5.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 6.9 p-90 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.895 -179.957 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.4 m -90.96 -48.08 7.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.916 0.388 . . . . 0.0 110.837 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -78.22 94.57 4.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.94 -163.57 31.91 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.5 t -109.28 105.75 15.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 0.0 110.828 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.0 t -69.49 -52.54 25.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.37 -88.77 0.12 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.475 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 57.48 43.36 23.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.792 0.329 . . . . 0.0 110.868 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -97.06 167.56 10.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -104.6 154.19 20.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -121.02 38.06 4.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.469 ' CG ' ' HD2' ' A' ' 13' ' ' PRO . 33.8 ttt180 -64.82 139.77 97.87 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.62 0.724 . . . . 0.0 110.877 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 12' ' ' ARG . 53.6 Cg_endo -69.76 150.48 68.27 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.675 2.25 . . . . 0.0 112.33 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.7 mt -68.01 -51.12 50.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 8.2 m95 -83.91 -175.69 5.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -110.11 144.2 29.57 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.654 0.74 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -0.09 6.42 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.665 2.244 . . . . 0.0 112.324 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -90.54 -38.33 13.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.828 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -88.62 139.59 30.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 87.6 m -67.76 104.0 1.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.192 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.712 HG11 ' OE1' ' A' ' 43' ' ' GLU . 54.1 t -98.14 121.69 48.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.173 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 44' ' ' TYR . 3.6 m -116.73 146.91 20.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.41 HD11 ' HD3' ' A' ' 75' ' ' LYS . 3.8 mp -109.76 151.87 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -98.8 118.79 36.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.9 mt -64.36 -35.18 80.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.496 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 3.0 m-85 -131.73 164.94 24.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -87.27 98.4 11.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.852 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -69.38 138.43 53.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -123.22 133.5 54.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.604 HG21 ' HB3' ' A' ' 35' ' ' GLU . 9.3 t -152.62 133.24 13.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -99.66 43.0 1.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -128.81 151.03 76.61 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.567 0.699 . . . . 0.0 110.873 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 -47.23 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.648 2.232 . . . . 0.0 112.334 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -64.4 -44.86 89.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.604 ' HB3' HG21 ' A' ' 30' ' ' THR . 12.9 mp0 -73.66 140.78 46.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.413 ' HG ' ' N ' ' A' ' 37' ' ' ALA . 5.6 tp -105.51 147.07 28.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.929 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.413 ' N ' ' HG ' ' A' ' 36' ' ' LEU . . . -94.32 102.77 14.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.074 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.74 ' HG ' HG11 ' A' ' 67' ' ' VAL . 93.7 mt -71.43 144.92 49.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -102.26 145.2 29.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.818 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -68.54 137.4 54.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 56.42 51.86 10.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -142.36 133.45 25.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.712 ' OE1' HG11 ' A' ' 21' ' ' VAL . 19.0 mt-10 -76.85 159.66 29.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.485 ' O ' HG22 ' A' ' 22' ' ' VAL . 79.0 m-85 -156.49 125.49 6.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.5 p -70.68 136.57 49.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.838 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 68.3 tp -82.81 118.38 23.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 97.1 mt -85.04 -60.88 1.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -152.34 132.74 13.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.82 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 50' ' ' SER . 95.2 p -101.99 30.31 4.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 49' ' ' SER . 24.0 p -34.83 -45.7 0.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -100.73 165.28 11.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 39.8 mt -89.72 -53.72 8.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 -72.3 -47.23 51.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.843 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 67.1 m95 -96.88 122.54 39.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 10.1 m0 -116.76 140.5 49.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -91.34 118.3 30.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.0 m -128.14 171.98 15.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -128.22 137.4 52.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.467 ' HA ' ' CD2' ' A' ' 44' ' ' TYR . 27.4 t0 -80.81 167.88 19.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.7 tpt85 -53.2 -39.55 63.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -80.15 -36.37 35.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 141.23 -7.78 2.62 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.513 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -58.87 113.01 1.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.764 0.316 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.13 166.36 14.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 167.43 -161.66 35.47 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.51 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -102.07 128.6 48.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.88 0.371 . . . . 0.0 110.94 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.74 HG11 ' HG ' ' A' ' 38' ' ' LEU . 11.2 m -141.38 153.48 66.02 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.621 0.724 . . . . 0.0 111.155 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 112.57 3.13 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.663 2.242 . . . . 0.0 112.324 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 82.7 p -43.69 -38.55 3.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.6 m -40.61 -46.73 2.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.496 ' CE2' ' HB2' ' A' ' 26' ' ' TYR . 4.7 m-85 -66.57 -41.83 87.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 83.2 mt -69.33 146.75 51.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.0 m -147.04 132.66 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.135 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -65.36 116.18 6.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.41 ' HD3' HD11 ' A' ' 23' ' ' ILE . 19.6 tptp -38.27 108.23 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 78.4 p -98.43 148.73 34.92 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.615 0.721 . . . . 0.0 110.865 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -0.35 6.78 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.725 2.283 . . . . 0.0 112.357 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -40.84 142.58 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.525 ' ND2' ' O ' ' A' ' 79' ' ' ASN . 0.7 OUTLIER -47.31 108.24 0.14 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.4 tp -144.93 148.42 33.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -90.9 87.94 6.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.01 5.01 47.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -53.68 167.96 0.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -131.4 100.85 5.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 56.4 m95 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.967 -179.987 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.1 t -109.92 94.14 4.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.933 0.397 . . . . 0.0 110.858 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.1 m -89.84 84.11 6.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.823 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.25 54.55 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.3 m -54.18 -50.86 66.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.851 0.358 . . . . 0.0 110.822 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.6 m -118.47 110.69 17.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.84 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.8 158.82 47.15 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.425 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -85.07 -51.88 6.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.842 0.353 . . . . 0.0 110.857 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -111.45 123.41 50.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -112.67 -49.46 2.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 31.9 mtp180 -134.03 -179.47 5.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 72.1 mtm-85 -79.96 146.6 64.07 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.669 0.747 . . . . 0.0 110.812 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 142.15 47.1 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.695 2.263 . . . . 0.0 112.358 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.0 mt -51.8 -65.86 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 5.0 m95 -59.39 178.74 0.13 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -125.91 157.39 69.33 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.653 0.739 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -41.42 4.28 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.682 2.254 . . . . 0.0 112.34 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.46 -8.71 57.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -93.47 151.87 19.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 92.8 m -91.6 112.3 24.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.152 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.7 t -107.49 132.01 56.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.9 m -114.38 171.47 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.447 HD11 ' HD2' ' A' ' 75' ' ' LYS . 9.9 mt -134.54 147.59 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.512 ' HB3' ' O ' ' A' ' 39' ' ' ARG . . . -90.43 139.97 30.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.105 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.825 HD21 HG11 ' A' ' 73' ' ' VAL . 7.2 mt -90.59 -31.0 16.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.464 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 2.8 m-85 -132.77 151.76 51.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.33 93.4 2.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.858 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -77.71 156.08 30.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -148.44 149.16 31.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.598 HG21 ' HB3' ' A' ' 35' ' ' GLU . 12.5 t -171.58 118.9 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -83.93 44.69 1.02 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.68 143.73 47.45 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.615 0.721 . . . . 0.0 110.843 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -42.2 3.67 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.681 2.254 . . . . 0.0 112.337 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -64.19 -25.61 68.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.598 ' HB3' HG21 ' A' ' 30' ' ' THR . 27.9 mt-10 -104.78 170.58 7.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.8 tp -132.94 151.75 52.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.1 103.97 15.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.533 ' HG ' HG11 ' A' ' 67' ' ' VAL . 85.4 mt -70.24 169.42 13.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.512 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 5.2 tpp85 -133.36 136.29 45.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 35.0 ttt180 -62.68 147.6 49.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.533 ' ND2' ' O ' ' A' ' 41' ' ' ASN . 3.4 p-10 46.61 51.86 11.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -142.57 142.86 32.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.591 ' O ' ' CD1' ' A' ' 44' ' ' TYR . 38.6 mt-10 -83.86 158.95 21.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.591 ' CD1' ' O ' ' A' ' 43' ' ' GLU . 49.4 m-85 -155.04 132.46 11.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 8.9 t -81.78 129.71 34.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 61.9 tp -82.44 115.65 21.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.495 HD11 ' HB2' ' A' ' 58' ' ' GLN . 94.9 mt -79.52 -59.1 2.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -157.01 149.71 23.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.826 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 50' ' ' SER . 87.0 p -107.62 45.35 1.01 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 49' ' ' SER . 1.8 t -35.93 -39.86 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -123.24 -179.65 4.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 54.7 mt -93.52 -57.53 4.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.16 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -67.08 -43.72 81.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -98.43 124.83 43.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 12.4 m0 -117.4 138.88 51.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.9 ttm-85 -91.78 109.31 20.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.65 HG11 ' CD1' ' A' ' 72' ' ' LEU . 30.8 m -119.8 171.35 8.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.133 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.495 ' HB2' HD11 ' A' ' 47' ' ' LEU . 35.5 tt0 -130.27 119.26 22.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.434 ' OD1' ' C ' ' A' ' 63' ' ' HIS . 0.3 OUTLIER -64.03 172.95 2.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 36.2 ptt85 -68.1 -23.99 64.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 28.4 m-20 -73.74 -36.2 65.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.72 -9.93 5.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.491 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.434 ' C ' ' OD1' ' A' ' 59' ' ' ASP . 2.3 m170 -78.39 179.27 7.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.754 0.311 . . . . 0.0 110.845 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.458 ' CB ' ' O ' ' A' ' 57' ' ' VAL . 0.7 OUTLIER -162.91 -177.58 5.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 -179.875 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 164.68 170.54 29.77 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.461 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -85.31 107.58 17.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.908 0.385 . . . . 0.0 110.941 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.533 HG11 ' HG ' ' A' ' 38' ' ' LEU . 2.2 m -115.26 156.01 46.15 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.586 0.708 . . . . 0.0 111.172 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.515 ' HG2' ' CD1' ' A' ' 71' ' ' TYR . 53.6 Cg_endo -69.82 108.98 2.21 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.712 2.275 . . . . 0.0 112.315 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 64.4 p -42.72 -25.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.5 m -54.27 -43.62 71.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.515 ' CD1' ' HG2' ' A' ' 68' ' ' PRO . 5.4 m-85 -68.37 -45.43 72.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.65 ' CD1' HG11 ' A' ' 57' ' ' VAL . 93.2 mt -72.57 138.87 47.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.908 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.825 HG11 HD21 ' A' ' 25' ' ' LEU . 2.1 m -134.69 131.88 53.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -61.15 107.01 0.67 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.447 ' HD2' HD11 ' A' ' 23' ' ' ILE . 28.3 tttp -47.08 107.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.495 ' N ' ' HD2' ' A' ' 77' ' ' PRO . 1.0 OUTLIER -66.36 -60.25 7.06 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.664 0.745 . . . . 0.0 110.851 -179.883 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 76' ' ' SER . 53.7 Cg_endo -69.75 125.72 12.48 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.676 2.25 . . . . 0.0 112.308 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -133.44 133.04 41.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -47.12 110.48 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 66.7 mt -75.83 93.4 3.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -126.91 93.07 3.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.4 t -69.34 162.69 26.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.112 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -137.76 170.71 15.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.977 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -161.88 117.51 2.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 9.7 t-105 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.3 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.815 0.34 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 64.9 t -113.13 120.33 62.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -111.12 163.26 8.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.421 HD12 ' N ' ' A' ' 23' ' ' ILE . 2.2 mp -132.12 148.23 32.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.101 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.8 126.27 38.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.572 HD21 HG11 ' A' ' 73' ' ' VAL . 6.4 mt -71.55 -31.08 66.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -137.93 160.32 39.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.97 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -80.8 97.69 7.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 49.2 t80 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 -179.84 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.87 0.367 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.404 HD11 ' HB2' ' A' ' 63' ' ' HIS . 6.5 tp -118.56 142.46 47.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.05 110.13 20.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.611 ' HG ' HG11 ' A' ' 67' ' ' VAL . 90.6 mt -75.12 161.92 28.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.5 tpp180 -119.17 136.77 54.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.0 ttp85 -64.25 126.83 29.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 71.39 40.25 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -134.34 128.93 34.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.532 ' O ' ' CD1' ' A' ' 44' ' ' TYR . 14.1 mp0 -78.39 162.51 26.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.532 ' CD1' ' O ' ' A' ' 43' ' ' GLU . 58.1 m-85 -154.35 138.48 16.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 4.0 t -77.53 121.61 24.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.5 tt -75.0 108.36 7.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.481 HD11 ' HG2' ' A' ' 64' ' ' GLU . 95.2 mt -72.65 -58.55 3.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -157.91 134.58 9.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 50' ' ' SER . 58.8 p -98.49 33.4 2.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 49' ' ' SER . 41.1 t -37.47 -53.39 1.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -92.04 179.95 5.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 46.9 mt -107.43 -57.32 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.116 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -69.64 -29.27 66.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.83 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 73.1 m95 -120.54 123.33 42.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 12.6 m0 -115.22 139.8 49.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.934 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.4 ttt85 -89.42 112.87 24.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.6 m -128.27 173.2 13.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -133.74 141.28 47.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 60' ' ' ARG . 13.3 t70 -77.75 174.11 11.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.47 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 14.5 ptt180 -72.24 -21.17 61.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -89.8 -40.54 12.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 135.58 42.56 0.12 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.507 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.404 ' HB2' HD11 ' A' ' 36' ' ' LEU . 3.8 m170 -119.77 111.08 17.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.748 0.308 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.481 ' HG2' HD11 ' A' ' 47' ' ' LEU . 3.4 mp0 -109.16 168.06 9.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 161.96 -173.73 38.33 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.427 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -93.47 127.05 38.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.915 0.388 . . . . 0.0 110.903 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.611 HG11 ' HG ' ' A' ' 38' ' ' LEU . 4.2 m -133.63 154.3 80.61 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.688 0.756 . . . . 0.0 111.091 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 104.21 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.32 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.5 p -40.63 -30.51 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.1 t -51.64 -46.44 63.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.843 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -66.66 -41.61 87.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.954 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.436 HD11 HG23 ' A' ' 67' ' ' VAL . 42.1 mt -68.7 143.32 54.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.93 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.572 HG11 HD21 ' A' ' 25' ' ' LEU . 2.1 m -138.37 144.63 29.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -75.82 115.48 15.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.7 tptt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.2 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.826 0.346 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.6 t -99.27 123.74 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -110.9 175.63 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.6 mt -143.77 142.45 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.172 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.37 131.51 34.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.075 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.807 HD21 HG11 ' A' ' 73' ' ' VAL . 9.5 mt -77.0 -34.68 57.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.456 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 1.8 m-85 -132.37 163.31 28.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -82.56 103.51 12.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.855 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 16.5 t80 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.954 -179.872 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.86 0.362 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.2 tp -110.58 142.08 42.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -95.35 106.32 18.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.078 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.487 ' HG ' HG11 ' A' ' 67' ' ' VAL . 18.2 mt -67.72 -176.31 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -143.72 144.66 31.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.411 ' HG2' ' ND2' ' A' ' 41' ' ' ASN . 48.6 ttt180 -62.63 129.04 38.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.411 ' ND2' ' HG2' ' A' ' 40' ' ' ARG . 75.5 m-20 62.54 53.54 2.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -139.55 122.73 16.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.407 ' O ' ' CD1' ' A' ' 44' ' ' TYR . 2.5 mp0 -73.9 160.65 31.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.407 ' CD1' ' O ' ' A' ' 43' ' ' GLU . 74.0 m-85 -153.42 132.79 12.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.972 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 32.3 t -79.3 106.54 11.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.904 HD12 HG12 ' A' ' 57' ' ' VAL . 24.3 tp -60.68 126.06 26.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.41 HD11 ' HB2' ' A' ' 58' ' ' GLN . 65.6 mt -93.83 -64.61 1.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -143.86 146.2 32.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 57.1 p -116.58 45.77 1.75 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.2 p -44.64 -35.44 2.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.434 ' O ' ' CD1' ' A' ' 55' ' ' TRP . 49.9 mt-10 -118.8 176.9 5.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.867 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.2 mt -97.18 -53.34 8.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -70.83 -40.3 72.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 79.4 m95 -106.42 117.89 35.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.454 ' CD2' ' HB2' ' A' ' 69' ' ' SER . 19.8 m0 -116.75 135.83 53.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -89.9 113.62 25.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.904 HG12 HD12 ' A' ' 46' ' ' LEU . 2.9 m -128.57 177.65 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.107 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.41 ' HB2' HD11 ' A' ' 47' ' ' LEU . 17.0 tt0 -136.39 142.19 43.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -83.93 162.04 20.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -60.42 -28.84 68.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 29.6 m-20 -77.16 -38.66 51.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 129.6 30.57 0.64 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.48 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.468 ' N ' ' CD2' ' A' ' 63' ' ' HIS . 0.6 OUTLIER -115.49 120.25 38.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.786 0.327 . . . . 0.0 110.885 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.412 ' CB ' ' O ' ' A' ' 57' ' ' VAL . 0.1 OUTLIER -120.42 179.1 4.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 160.2 -171.43 36.46 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.486 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -94.18 105.22 17.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.877 0.37 . . . . 0.0 110.962 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.487 HG11 ' HG ' ' A' ' 38' ' ' LEU . 3.3 m -116.36 152.79 48.45 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.623 0.725 . . . . 0.0 111.126 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 108.04 1.99 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.69 2.26 . . . . 0.0 112.409 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.454 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 1.8 t -44.98 -30.6 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 m -47.03 -51.38 17.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.456 ' CE2' ' HB2' ' A' ' 26' ' ' TYR . 3.1 m-85 -63.72 -39.51 94.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 59.9 mt -68.81 141.5 55.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.963 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.807 HG11 HD21 ' A' ' 25' ' ' LEU . 3.8 m -134.79 142.01 41.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -73.21 109.2 6.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.7 tttp . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 179.959 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.2 m . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.86 0.362 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 74.0 t -104.24 134.61 45.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.424 HG23 HD22 ' A' ' 72' ' ' LEU . 3.4 m -121.45 159.7 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.667 HD11 ' CD ' ' A' ' 75' ' ' LYS . 3.6 mp -125.77 146.7 31.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.117 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.45 126.44 35.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.5 mt -73.02 -31.34 64.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.464 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 4.5 m-85 -133.99 166.92 21.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -88.06 93.09 9.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.481 ' HB2' ' CD2' ' A' ' 71' ' ' TYR . 28.2 t80 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.444 ' OE1' ' N ' ' A' ' 35' ' ' GLU . 13.0 mp0 . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.842 0.354 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.404 ' O ' HG12 ' A' ' 67' ' ' VAL . 6.2 tp -120.71 141.04 50.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.42 103.21 15.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 71.8 mt -63.27 160.29 16.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.945 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.6 ttt85 -118.43 145.13 45.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 25.7 ttt-85 -69.12 121.93 17.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 74.51 39.26 0.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -129.05 140.2 51.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.46 ' N ' ' OE1' ' A' ' 43' ' ' GLU . 2.6 mp0 -91.46 154.55 19.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -148.01 143.95 27.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 41.4 t -88.37 132.76 34.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.765 HD21 ' OG ' ' A' ' 49' ' ' SER . 17.6 tp -83.79 112.08 19.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.943 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.922 HD11 ' HB2' ' A' ' 58' ' ' GLN . 16.3 mt -83.11 -56.21 3.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -153.48 123.25 6.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.765 ' OG ' HD21 ' A' ' 46' ' ' LEU . 25.5 m -101.17 39.23 1.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.821 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.0 t -42.14 -52.71 4.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -88.2 163.25 16.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.895 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 22.3 mt -88.45 -53.81 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 44.0 m-70 -73.66 -35.68 65.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 67.8 m95 -108.04 122.17 46.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.448 ' NE1' ' HB3' ' A' ' 49' ' ' SER . 13.5 m0 -117.11 143.67 45.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 31.3 ttt-85 -94.82 119.42 33.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.505 HG11 ' CD1' ' A' ' 72' ' ' LEU . 29.1 m -130.84 172.29 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.922 ' HB2' HD11 ' A' ' 47' ' ' LEU . 40.0 tt0 -138.33 121.84 17.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.485 ' CG ' ' N ' ' A' ' 60' ' ' ARG . 3.4 t70 -63.79 168.35 5.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.485 ' N ' ' CG ' ' A' ' 59' ' ' ASP . 22.7 tpt180 -57.54 -37.85 73.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.854 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -73.69 -46.53 45.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 139.66 31.69 0.18 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.468 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -99.31 110.89 23.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.764 0.316 . . . . 0.0 110.844 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.489 ' HG2' HD11 ' A' ' 47' ' ' LEU . 6.1 mt-10 -106.2 164.81 11.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 160.16 153.91 7.11 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.528 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -65.33 117.93 8.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.911 0.386 . . . . 0.0 110.955 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.404 HG12 ' O ' ' A' ' 36' ' ' LEU . 1.9 m -123.07 151.19 61.21 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.649 0.738 . . . . 0.0 111.099 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 103.0 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.656 2.237 . . . . 0.0 112.314 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.3 p -39.47 -34.46 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.6 m -45.19 -48.59 12.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.481 ' CD2' ' HB2' ' A' ' 28' ' ' TYR . 3.4 m-85 -66.98 -44.96 79.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.926 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.505 ' CD1' HG11 ' A' ' 57' ' ' VAL . 76.9 mt -67.35 144.67 55.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.0 m -144.3 134.16 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -56.82 112.98 1.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.667 ' CD ' HD11 ' A' ' 23' ' ' ILE . 18.8 tptp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.7 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.814 0.34 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.4 t -100.15 136.32 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.156 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.479 HG21 HD13 ' A' ' 72' ' ' LEU . 3.0 m -128.31 153.9 38.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.3 mp -120.29 153.96 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.96 135.83 34.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.783 HD21 HG11 ' A' ' 73' ' ' VAL . 10.6 mt -84.06 -27.13 28.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.505 ' CE1' ' HB2' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -143.88 162.79 35.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.49 94.71 8.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 49.2 t80 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 -179.845 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.838 0.351 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 tp -109.21 145.76 35.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.16 109.44 21.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.417 ' HG ' HG11 ' A' ' 67' ' ' VAL . 39.7 mt -70.23 158.91 34.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.1 tpp85 -123.19 134.89 54.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.7 ttp180 -62.13 125.53 24.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 73.6 54.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -147.49 135.77 21.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -87.04 154.13 21.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -148.57 129.48 14.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 49.3 t -74.01 123.52 24.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.855 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 59.7 tp -74.18 101.72 4.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 80.8 mt -66.9 -67.19 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -144.65 146.45 32.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.7 p -110.32 36.71 2.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 26.2 t -38.24 -42.03 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -109.84 -178.05 3.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 83.9 mt -107.04 -47.7 8.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.09 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -75.98 -43.59 43.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 46.5 m95 -107.98 123.73 49.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 17.7 m0 -116.27 155.21 28.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -101.54 116.54 32.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.2 m -133.38 167.82 25.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -130.09 140.68 50.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -81.78 166.89 19.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 46.6 ttt-85 -58.58 -37.32 75.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -72.04 -49.64 35.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 143.89 33.07 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.469 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -111.02 120.33 42.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.801 0.334 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.445 ' C ' ' OE1' ' A' ' 64' ' ' GLU . 0.4 OUTLIER -124.94 168.85 12.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.878 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 166.25 -170.91 41.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.517 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -92.61 114.15 26.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.948 0.404 . . . . 0.0 110.892 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.417 HG11 ' HG ' ' A' ' 38' ' ' LEU . 3.5 m -123.23 154.15 65.21 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.626 0.726 . . . . 0.0 111.137 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.7 108.16 2.01 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.684 2.256 . . . . 0.0 112.321 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 94.8 p -41.56 -41.77 2.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.86 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.3 m -41.09 -51.77 3.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.789 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.48 ' CE2' ' HB2' ' A' ' 26' ' ' TYR . 7.0 m-85 -59.26 -37.99 78.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.479 HD13 HG21 ' A' ' 22' ' ' VAL . 59.1 mt -77.09 142.4 39.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.918 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.783 HG11 HD21 ' A' ' 25' ' ' LEU . 2.0 m -137.71 141.32 39.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.111 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -66.01 109.17 2.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.1 ttpt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.92 179.937 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.3 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.856 0.36 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 85.9 t -93.48 134.21 31.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.4 m -125.56 153.11 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.839 HD11 ' HB2' ' A' ' 75' ' ' LYS . 2.0 mp -118.12 140.86 39.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.102 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.51 128.09 35.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.068 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.487 HD21 HG11 ' A' ' 73' ' ' VAL . 10.3 mt -68.51 -44.57 74.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -124.71 169.5 11.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -87.94 98.92 11.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 33.1 t80 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.864 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.881 0.372 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.415 ' HG ' ' N ' ' A' ' 37' ' ' ALA . 10.0 tp -133.92 149.87 51.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.928 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.415 ' N ' ' HG ' ' A' ' 36' ' ' LEU . . . -96.76 112.84 24.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.082 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.53 ' HG ' HG11 ' A' ' 67' ' ' VAL . 62.9 mt -80.6 175.94 10.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.466 ' HB3' ' CG ' ' A' ' 42' ' ' GLU . 23.5 ttt85 -135.49 149.8 49.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 56.3 ttt180 -70.11 131.19 43.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 64.73 37.83 7.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.466 ' CG ' ' HB3' ' A' ' 39' ' ' ARG . 32.1 mm-40 -127.91 119.99 26.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -76.16 154.01 35.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.421 ' CE1' ' O ' ' A' ' 42' ' ' GLU . 78.4 m-85 -141.62 130.2 22.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 38.3 t -72.58 109.37 6.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.664 HD11 ' CE3' ' A' ' 55' ' ' TRP . 3.0 tt -67.62 120.32 13.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.442 HD12 ' HG2' ' A' ' 56' ' ' ARG . 18.0 mt -85.71 -59.03 2.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -145.07 143.41 30.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 80.9 p -113.54 38.77 2.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.4 t -44.61 -57.47 3.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.812 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -90.46 -176.97 4.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 74.8 mt -108.22 -62.42 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.133 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -60.01 -39.77 86.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 45.9 m95 -112.98 125.59 54.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.664 ' CE3' HD11 ' A' ' 46' ' ' LEU . 10.5 m0 -119.15 150.91 39.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.442 ' HG2' HD12 ' A' ' 47' ' ' LEU . 54.4 ttt180 -96.59 109.71 22.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.813 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.443 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 13.6 m -126.43 174.92 9.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -140.07 128.95 23.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -69.06 164.65 21.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.64 -8.84 38.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -93.44 -46.67 7.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 140.26 32.71 0.15 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.47 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -120.28 121.78 39.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.78 0.324 . . . . 0.0 110.833 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.443 ' CB ' ' O ' ' A' ' 57' ' ' VAL . 0.2 OUTLIER -125.43 159.59 31.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 175.41 -164.02 34.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -97.29 110.67 23.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.947 0.403 . . . . 0.0 110.918 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.53 HG11 ' HG ' ' A' ' 38' ' ' LEU . 1.7 m -118.48 153.13 51.83 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.651 0.739 . . . . 0.0 111.123 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 107.67 1.91 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.674 2.25 . . . . 0.0 112.349 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.3 p -43.14 -35.08 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.9 m -44.96 -42.07 7.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -74.2 -42.93 59.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.6 mt -68.09 143.51 55.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.487 HG11 HD21 ' A' ' 25' ' ' LEU . 2.4 m -139.31 140.46 37.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -74.53 110.52 8.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.839 ' HB2' HD11 ' A' ' 23' ' ' ILE . 13.3 tttp . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.4 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.824 0.345 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.2 t -113.77 136.03 51.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.584 ' CG2' HD22 ' A' ' 72' ' ' LEU . 4.5 m -124.82 168.81 16.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.176 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.3 mt -130.01 149.08 33.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.01 119.64 32.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.077 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.645 HD21 HG11 ' A' ' 73' ' ' VAL . 9.1 mt -66.29 -39.92 89.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -130.71 152.45 50.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -73.68 95.8 2.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.836 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 74.2 t80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 -179.842 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.861 0.362 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.7 tp -114.75 145.12 42.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -96.46 104.38 16.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.729 ' HG ' HG11 ' A' ' 67' ' ' VAL . 61.7 mt -59.63 163.76 4.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -121.32 129.3 53.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -60.48 129.51 41.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 64.95 51.8 1.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -145.16 136.09 24.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -78.65 153.17 31.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -148.79 127.56 12.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.942 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 49.0 t -76.43 133.57 39.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 27.1 tp -81.55 106.74 13.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.656 HD12 ' HG2' ' A' ' 56' ' ' ARG . 62.5 mt -68.21 -57.24 6.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -156.68 138.95 14.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 78.0 p -101.77 37.85 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.7 p -45.1 -48.23 12.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -103.51 -178.31 3.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 86.8 mt -110.57 -49.46 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -71.3 -44.41 65.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 62.0 m95 -112.9 118.59 35.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 16.7 m0 -108.27 158.6 17.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.656 ' HG2' HD12 ' A' ' 47' ' ' LEU . 34.4 ttt180 -103.63 115.32 30.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.876 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.1 m -130.63 171.17 18.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -137.69 136.03 37.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.424 ' CG ' ' N ' ' A' ' 60' ' ' ARG . 11.9 t70 -76.27 166.72 23.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.424 ' N ' ' CG ' ' A' ' 59' ' ' ASP . 7.2 ptt180 -63.95 -26.63 68.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -75.96 -51.03 13.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 142.2 34.04 0.1 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -119.11 125.26 48.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.716 0.293 . . . . 0.0 110.844 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -125.26 178.51 5.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 163.17 -143.8 8.98 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.483 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -120.87 126.8 50.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.919 0.39 . . . . 0.0 110.9 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.729 HG11 ' HG ' ' A' ' 38' ' ' LEU . 4.6 m -137.1 153.38 75.1 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.624 0.726 . . . . 0.0 111.103 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 110.8 2.64 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.706 2.271 . . . . 0.0 112.335 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 85.3 p -43.85 -37.42 2.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 71.7 m -42.39 -42.6 3.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -71.7 -37.98 70.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.584 HD22 ' CG2' ' A' ' 22' ' ' VAL . 81.8 mt -70.76 133.3 46.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.645 HG11 HD21 ' A' ' 25' ' ' LEU . 2.0 m -127.02 132.67 69.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -64.65 106.88 1.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 67.0 tttt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.9 179.951 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.3 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.795 0.331 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 43' ' ' GLU . 54.7 t -119.43 141.27 40.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.102 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.411 ' CG2' HD22 ' A' ' 72' ' ' LEU . 1.6 m -125.71 158.53 34.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.118 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.2 mt -125.3 141.35 45.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.98 127.31 34.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.133 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.577 HD21 HG11 ' A' ' 73' ' ' VAL . 17.8 mt -73.91 -37.66 64.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -129.03 142.21 50.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 27' ' ' ASP . 7.3 p-10 -62.65 92.05 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.452 ' HB2' ' CD2' ' A' ' 71' ' ' TYR . 63.3 t80 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.887 0.375 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.465 ' HG ' ' N ' ' A' ' 37' ' ' ALA . 7.3 tp -122.6 150.82 42.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.465 ' N ' ' HG ' ' A' ' 36' ' ' LEU . . . -95.1 109.45 21.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.5 mt -77.99 162.87 26.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.94 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -117.54 137.82 52.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.1 ttm180 -61.51 127.94 33.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 63.29 53.45 2.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -142.94 133.11 24.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.563 ' O ' ' CD1' ' A' ' 44' ' ' TYR . 17.2 mp0 -80.43 163.36 23.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.937 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.563 ' CD1' ' O ' ' A' ' 43' ' ' GLU . 41.1 m-85 -152.66 149.97 28.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.983 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.7 p -97.07 102.02 13.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.6 tp -55.13 131.93 46.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.566 HD11 ' HB2' ' A' ' 58' ' ' GLN . 89.6 mt -95.7 -52.26 4.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -147.4 148.57 31.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.4 p -124.39 38.95 4.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.3 t -54.63 -45.25 73.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -96.85 163.61 12.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 40.1 mt -95.12 -56.37 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.096 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 33.9 m-70 -67.98 -39.26 83.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 70.3 m95 -107.67 123.76 48.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 8.6 m0 -117.22 142.8 46.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.935 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -101.37 110.21 22.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.451 HG11 HD13 ' A' ' 72' ' ' LEU . 16.3 m -123.0 164.62 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.156 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.566 ' HB2' HD11 ' A' ' 47' ' ' LEU . 37.5 tt0 -116.47 129.0 55.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.548 ' HA ' ' CD2' ' A' ' 44' ' ' TYR . 31.1 t70 -66.91 169.4 8.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' A' ' 61' ' ' ASN . 8.9 ptt-85 -68.71 -33.85 74.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.407 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 35.0 m-20 -69.54 -50.95 40.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 145.56 33.75 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.468 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.412 ' C ' ' HG3' ' A' ' 64' ' ' GLU . 2.9 m170 -111.82 174.17 6.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.728 0.299 . . . . 0.0 110.836 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.412 ' HG3' ' C ' ' A' ' 63' ' ' HIS . 9.1 mt-10 -156.3 171.53 20.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 156.69 152.14 6.19 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.548 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -67.36 127.08 31.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.883 0.373 . . . . 0.0 110.929 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.2 m -132.81 154.78 81.57 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.655 0.74 . . . . 0.0 111.156 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 107.39 1.84 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.726 2.284 . . . . 0.0 112.371 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.3 p -40.74 -30.43 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.846 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.8 m -48.84 -49.92 36.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.452 ' CD2' ' HB2' ' A' ' 28' ' ' TYR . 3.2 m-85 -64.89 -43.32 93.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.451 HD13 HG11 ' A' ' 57' ' ' VAL . 94.3 mt -73.08 141.27 47.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.577 HG11 HD21 ' A' ' 25' ' ' LEU . 2.1 m -133.87 133.03 56.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.088 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -66.25 105.06 1.31 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 54.6 tttt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.948 179.962 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 58.6 m . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.839 0.352 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 72.5 t -123.7 125.83 71.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.0 m -116.84 154.7 18.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.578 HD11 ' HB2' ' A' ' 75' ' ' LYS . 3.9 mp -118.34 147.82 21.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.32 117.45 30.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.3 mt -61.99 -29.87 70.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.478 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 1.3 m-85 -139.11 170.56 15.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.415 ' CG ' ' O ' ' A' ' 27' ' ' ASP . 17.2 p-10 -92.19 92.05 8.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 51.2 t80 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 -179.783 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.868 0.366 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.3 tp -117.59 141.91 47.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.962 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.54 106.22 18.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.069 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.589 ' HG ' HG11 ' A' ' 67' ' ' VAL . 82.5 mt -65.99 163.57 16.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -123.66 143.56 50.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -63.64 136.25 57.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 56.77 50.53 12.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -139.02 126.25 21.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -75.37 151.88 38.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -148.04 138.15 22.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.8 m -84.29 137.59 33.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.425 HD21 ' HB3' ' A' ' 49' ' ' SER . 61.1 tp -87.88 101.34 13.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.552 HD11 ' HB2' ' A' ' 58' ' ' GLN . 88.1 mt -68.61 -66.94 0.51 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -135.59 132.26 36.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.425 ' HB3' HD21 ' A' ' 46' ' ' LEU . 60.6 p -106.84 29.69 6.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 26.1 t -41.66 -59.07 1.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.826 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.15 -179.04 6.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.4 mt -109.84 -53.87 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.119 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -74.14 -33.58 63.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 70.3 m95 -113.31 122.58 47.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 14.9 m0 -118.09 143.32 46.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -91.74 113.93 26.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 33.1 m -120.97 172.74 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.552 ' HB2' HD11 ' A' ' 47' ' ' LEU . 6.1 tt0 -134.81 120.51 19.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.535 ' CG ' ' N ' ' A' ' 60' ' ' ARG . 0.6 OUTLIER -63.4 170.13 3.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.535 ' N ' ' CG ' ' A' ' 59' ' ' ASP . 25.7 tpt85 -63.8 -41.5 97.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -68.34 -49.6 59.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 144.32 33.28 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -107.21 116.88 32.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.724 0.297 . . . . 0.0 110.821 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.483 ' HG2' HD11 ' A' ' 47' ' ' LEU . 4.1 mp0 -109.42 175.56 5.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 153.44 -175.17 31.93 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.526 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -94.38 131.42 40.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.945 0.402 . . . . 0.0 110.876 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.589 HG11 ' HG ' ' A' ' 38' ' ' LEU . 3.7 m -136.7 151.44 72.61 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.61 0.719 . . . . 0.0 111.134 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 105.04 1.42 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.677 2.251 . . . . 0.0 112.367 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 84.6 p -40.77 -30.17 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -49.06 -46.85 45.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.846 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.478 ' CE2' ' HB2' ' A' ' 26' ' ' TYR . 3.6 m-85 -68.35 -41.38 80.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.95 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.401 HD11 HG23 ' A' ' 67' ' ' VAL . 48.7 mt -68.54 143.19 55.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.942 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.407 HG22 ' HB ' ' A' ' 23' ' ' ILE . 2.0 m -142.93 134.13 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -64.61 119.34 10.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.578 ' HB2' HD11 ' A' ' 23' ' ' ILE . 81.1 tttt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.5 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.805 0.336 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -93.9 121.32 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.0 m -114.03 155.54 15.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.498 HD11 ' HD3' ' A' ' 75' ' ' LYS . 32.7 mt -121.57 145.03 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.171 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.74 148.05 24.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.856 HD21 HG11 ' A' ' 73' ' ' VAL . 15.7 mt -94.93 -34.26 12.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.564 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 4.1 m-85 -131.17 149.46 52.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -72.72 92.61 1.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 65.3 t80 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.848 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.856 0.36 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.471 ' HG ' ' N ' ' A' ' 37' ' ' ALA . 23.7 tp -123.47 156.74 34.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.471 ' N ' ' HG ' ' A' ' 36' ' ' LEU . . . -102.78 102.84 13.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.427 ' HG ' HG11 ' A' ' 67' ' ' VAL . 41.2 mt -69.54 154.26 42.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -110.97 140.03 45.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 17.6 ttp180 -62.74 127.39 31.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 35.3 m-20 60.03 52.23 5.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.868 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -136.36 137.47 40.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.492 ' O ' ' CD1' ' A' ' 44' ' ' TYR . 74.3 mt-10 -79.96 157.62 26.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.492 ' CD1' ' O ' ' A' ' 43' ' ' GLU . 36.1 m-85 -150.11 150.87 32.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.893 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 50.9 t -94.92 120.55 35.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.448 ' HA ' HG12 ' A' ' 57' ' ' VAL . 25.4 tp -76.88 99.21 5.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.71 HD11 ' HB2' ' A' ' 58' ' ' GLN . 11.5 mt -67.52 -63.81 0.98 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -134.33 148.6 50.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 91.2 p -123.8 38.66 4.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.2 t -47.61 -52.73 16.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -94.48 -178.02 4.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 52.4 mt -112.85 -46.81 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -74.17 -31.57 62.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.82 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -119.98 117.21 27.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 9.3 m0 -110.69 146.91 35.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.9 ttt85 -101.59 113.13 25.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.448 HG12 ' HA ' ' A' ' 46' ' ' LEU . 11.0 m -125.44 170.89 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.163 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.71 ' HB2' HD11 ' A' ' 47' ' ' LEU . 20.4 tt0 -123.75 115.88 22.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.439 ' OD1' HD11 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -58.49 168.89 1.01 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 47.4 ptt85 -64.18 -18.72 64.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -77.39 -40.28 44.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.86 -4.05 5.7 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.533 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -85.08 165.7 17.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.784 0.326 . . . . 0.0 110.843 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.406 ' HG2' HD11 ' A' ' 47' ' ' LEU . 10.2 mt-10 -140.13 176.03 9.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 165.86 170.3 30.6 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.485 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -85.0 106.87 16.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.872 0.368 . . . . 0.0 110.899 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.427 HG11 ' HG ' ' A' ' 38' ' ' LEU . 7.3 m -111.67 153.37 44.35 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.642 0.734 . . . . 0.0 111.078 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 115.53 4.14 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.712 2.274 . . . . 0.0 112.361 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 75.5 p -51.37 -34.48 34.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.6 p -49.6 -42.08 43.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 26' ' ' TYR . 3.1 m-85 -70.32 -45.23 66.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.917 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 96.2 mt -69.58 138.44 53.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.856 HG11 HD21 ' A' ' 25' ' ' LEU . 2.2 m -131.51 145.24 35.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -71.4 110.72 6.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.498 ' HD3' HD11 ' A' ' 23' ' ' ILE . 35.0 tptt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 61.3 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.823 0.344 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.7 t -97.6 138.83 21.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.815 ' CG2' HD22 ' A' ' 72' ' ' LEU . 16.5 m -124.39 170.71 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.437 HD11 ' CD ' ' A' ' 75' ' ' LYS . 13.7 mt -135.64 145.1 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.099 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 39' ' ' ARG . . . -89.67 125.36 35.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.043 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.1 mt -76.21 -28.45 57.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -135.16 155.53 50.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.442 ' CG ' ' O ' ' A' ' 27' ' ' ASP . 7.8 p-10 -81.74 93.45 6.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.543 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 88.2 t80 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.937 0.398 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.9 tp -134.87 143.98 47.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -88.96 101.97 14.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.067 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.541 ' HG ' HG11 ' A' ' 67' ' ' VAL . 11.8 mt -64.48 143.03 58.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.952 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.545 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 11.2 tpt180 -99.69 139.28 35.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.423 ' HB3' ' NH1' ' A' ' 40' ' ' ARG . 10.8 ttp-105 -63.47 147.42 51.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.1 p30 42.15 49.54 4.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -135.2 140.6 45.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.466 ' O ' ' CD2' ' A' ' 44' ' ' TYR . 35.1 mt-10 -77.82 162.89 26.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.466 ' CD2' ' O ' ' A' ' 43' ' ' GLU . 59.2 m-85 -158.18 127.95 5.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.967 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 21.4 t -81.37 119.17 23.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.612 HD12 HG12 ' A' ' 57' ' ' VAL . 23.6 tp -70.65 126.02 28.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.487 HD11 ' HB2' ' A' ' 58' ' ' GLN . 63.9 mt -93.16 -58.21 2.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.43 147.97 37.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.3 p -123.79 33.62 5.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.2 t -52.59 -37.64 58.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -100.95 178.6 4.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 65.6 mt -110.43 -60.41 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.184 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -63.56 -46.77 84.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 67.9 m95 -103.34 112.82 25.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 11.8 m0 -105.55 141.4 37.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.922 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 38.5 ttt-85 -94.27 123.7 37.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.612 HG12 HD12 ' A' ' 46' ' ' LEU . 4.5 m -139.92 173.32 10.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.487 ' HB2' HD11 ' A' ' 47' ' ' LEU . 30.2 tt0 -131.21 135.21 47.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -78.28 171.68 14.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.0 -30.37 67.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -71.12 -42.22 69.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 133.56 28.16 0.53 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.512 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.457 ' N ' ' CD2' ' A' ' 63' ' ' HIS . 2.9 m170 -107.89 167.28 10.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.764 0.316 . . . . 0.0 110.831 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -162.74 168.8 20.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 162.24 170.52 27.14 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.469 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -75.99 115.4 15.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.94 0.4 . . . . 0.0 110.939 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.541 HG11 ' HG ' ' A' ' 38' ' ' LEU . 4.6 m -126.15 153.88 74.26 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.584 0.707 . . . . 0.0 111.136 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 112.49 3.09 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.709 2.273 . . . . 0.0 112.352 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.9 p -48.09 -23.48 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.6 m -55.64 -43.24 76.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.543 ' CE2' ' HB2' ' A' ' 28' ' ' TYR . 3.1 m-85 -68.96 -43.64 74.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.815 HD22 ' CG2' ' A' ' 22' ' ' VAL . 98.6 mt -67.71 149.1 50.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.0 m -148.47 135.02 12.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.161 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -65.0 119.24 10.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.437 ' CD ' HD11 ' A' ' 23' ' ' ILE . 14.1 tptp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.7 m . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 120.862 0.363 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.454 ' CG1' ' HB3' ' A' ' 43' ' ' GLU . 93.2 t -97.1 122.61 48.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.152 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.7 m -110.71 164.07 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.424 ' HB ' HG22 ' A' ' 73' ' ' VAL . 15.8 mt -128.33 148.56 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.97 129.8 40.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.103 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.479 HD21 HG11 ' A' ' 73' ' ' VAL . 8.7 mt -77.49 -38.77 48.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.42 ' CD1' ' HB2' ' A' ' 25' ' ' LEU . 1.3 m-85 -127.84 158.77 36.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -79.59 104.24 10.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.924 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 33.8 t80 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.816 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.908 0.385 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.8 tp -113.07 145.96 39.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.77 100.31 12.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.675 ' HG ' HG11 ' A' ' 67' ' ' VAL . 79.8 mt -62.08 157.31 19.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.936 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -116.4 134.17 55.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.5 ttp180 -59.93 130.62 47.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.7 m120 63.28 53.69 2.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -146.64 128.54 15.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.57 ' O ' ' CD1' ' A' ' 44' ' ' TYR . 4.7 mp0 -74.4 166.71 23.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.57 ' CD1' ' O ' ' A' ' 43' ' ' GLU . 71.9 m-85 -156.89 138.4 13.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.959 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 2.4 t -86.43 112.64 21.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.567 HD12 HG12 ' A' ' 57' ' ' VAL . 48.6 tp -61.86 134.26 56.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.466 HD11 ' HB2' ' A' ' 58' ' ' GLN . 98.0 mt -102.34 -63.97 1.11 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -137.41 148.24 46.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.9 p -122.3 46.38 2.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.4 t -62.78 -49.3 75.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.854 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -92.29 165.81 12.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 37.1 mt -94.85 -57.46 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 46.4 m-70 -68.89 -37.4 78.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 75.3 m95 -107.52 124.79 50.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -117.76 140.54 49.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -93.67 111.53 23.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.567 HG12 HD12 ' A' ' 46' ' ' LEU . 11.4 m -130.38 169.14 21.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.466 ' HB2' HD11 ' A' ' 47' ' ' LEU . 16.3 tt0 -124.46 151.09 44.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.458 ' CG ' ' N ' ' A' ' 60' ' ' ARG . 3.7 t70 -90.12 167.23 12.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.458 ' N ' ' CG ' ' A' ' 59' ' ' ASP . 34.5 ttt180 -59.28 -38.02 79.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -70.51 -45.84 64.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 138.97 31.5 0.2 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.487 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -114.01 120.91 42.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.727 0.299 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -119.7 173.04 7.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 166.69 -161.59 35.34 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.488 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -102.21 123.69 46.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.891 0.376 . . . . 0.0 110.952 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.675 HG11 ' HG ' ' A' ' 38' ' ' LEU . 10.9 m -136.12 151.94 74.49 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.631 0.729 . . . . 0.0 111.122 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 113.87 3.51 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.72 2.28 . . . . 0.0 112.348 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 96.6 p -44.77 -36.27 3.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.869 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 73.4 m -43.91 -45.32 7.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.879 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -69.78 -42.65 73.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.931 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 89.2 mt -68.77 142.32 54.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.479 HG11 HD21 ' A' ' 25' ' ' LEU . 2.8 m -137.54 135.99 46.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.149 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -64.8 109.05 1.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.1 tttt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.913 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.2 m . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.817 0.341 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.546 HG11 ' OE2' ' A' ' 43' ' ' GLU . 59.1 t -90.12 132.58 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.14 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.6 m -126.54 144.5 36.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 15.7 mt -113.56 144.79 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.46 128.39 35.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.096 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.544 HD21 HG11 ' A' ' 73' ' ' VAL . 10.2 mt -71.39 -36.31 71.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.493 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 4.2 m-85 -126.38 177.19 6.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -96.63 108.49 21.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.9 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 90.7 t80 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.844 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.878 0.37 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.935 HD21 ' OD1' ' A' ' 59' ' ' ASP . 58.5 tp -101.22 149.95 23.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -98.98 122.93 42.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.1 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.434 ' HG ' HG11 ' A' ' 67' ' ' VAL . 46.9 mt -91.33 178.29 6.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -139.35 138.62 36.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -66.36 122.4 17.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 72.75 47.33 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -140.14 140.87 36.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.546 ' OE2' HG11 ' A' ' 21' ' ' VAL . 34.7 mt-10 -85.0 152.94 23.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.456 ' CD1' ' C ' ' A' ' 43' ' ' GLU . 60.5 m-85 -151.41 127.76 10.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 2.4 t -73.43 137.21 44.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.51 ' HA ' HG12 ' A' ' 57' ' ' VAL . 39.8 tp -88.14 108.64 19.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.648 HD11 ' HG2' ' A' ' 64' ' ' GLU . 70.2 mt -68.94 -69.23 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -129.29 160.65 32.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 90.5 p -128.47 34.18 4.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 64.4 p -47.07 -43.97 20.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.857 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -107.19 -177.32 3.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 85.9 mt -110.9 -55.89 4.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -68.95 -37.36 78.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 69.3 m95 -114.12 107.81 16.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -104.0 157.34 17.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 42.6 ttt180 -103.82 119.13 38.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.51 HG12 ' HA ' ' A' ' 46' ' ' LEU . 29.4 m -129.39 177.74 6.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.493 ' HB2' HD11 ' A' ' 47' ' ' LEU . 35.6 tt0 -135.1 112.63 10.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.935 ' OD1' HD21 ' A' ' 36' ' ' LEU . 57.5 m-20 -58.75 148.6 29.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.87 -18.67 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -78.8 -49.31 13.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 135.53 29.55 0.37 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.493 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.446 ' O ' HD13 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -119.7 123.49 43.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.771 0.319 . . . . 0.0 110.862 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.648 ' HG2' HD11 ' A' ' 47' ' ' LEU . 3.7 mt-10 -105.87 169.09 8.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 168.49 -164.95 38.47 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -107.06 124.02 49.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.906 0.384 . . . . 0.0 110.97 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.434 HG11 ' HG ' ' A' ' 38' ' ' LEU . 1.6 m -130.76 154.28 81.8 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.602 0.715 . . . . 0.0 111.165 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 109.54 2.34 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.656 2.238 . . . . 0.0 112.311 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.4 p -43.59 -33.82 1.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 40.1 t -44.69 -52.61 8.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.85 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.493 ' CE2' ' HB2' ' A' ' 26' ' ' TYR . 3.4 m-85 -61.07 -44.71 96.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.38 150.68 47.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.544 HG11 HD21 ' A' ' 25' ' ' LEU . 2.0 m -148.6 131.84 7.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -67.17 111.94 4.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.5 tptt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.8 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.794 0.33 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.0 t -105.31 130.31 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.13 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.401 HG21 HD13 ' A' ' 72' ' ' LEU . 28.8 m -118.47 164.23 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.191 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.3 mt -134.52 142.1 41.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 39' ' ' ARG . . . -88.84 128.57 35.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.4 mt -72.69 -36.06 67.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -124.97 152.54 44.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.957 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -77.52 94.96 4.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 41.6 t80 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.826 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.883 0.373 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.3 tp -118.32 147.46 43.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.68 103.21 13.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.581 ' HG ' HG11 ' A' ' 67' ' ' VAL . 41.5 mt -75.0 150.21 39.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.476 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -107.01 147.55 29.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.476 ' N ' ' HD3' ' A' ' 39' ' ' ARG . 41.9 ttt180 -62.2 140.94 58.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 38.72 50.39 1.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.583 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 13.5 tp10 -122.98 146.34 47.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -82.24 151.29 26.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.583 ' CE2' ' HG3' ' A' ' 42' ' ' GLU . 58.8 m-85 -152.04 129.22 11.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 2.4 p -83.08 117.91 23.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.53 HD12 ' O ' ' A' ' 56' ' ' ARG . 48.5 tp -69.04 130.56 43.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.713 HD11 ' HB2' ' A' ' 58' ' ' GLN . 71.4 mt -96.84 -60.61 1.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -149.74 126.78 11.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.804 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.6 m -105.76 37.31 2.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 m -42.6 -41.42 3.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -97.64 -177.04 3.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 72.4 mt -109.39 -52.25 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.105 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -72.25 -38.85 68.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 52.7 m95 -109.06 115.27 29.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 8.7 m0 -110.9 131.0 55.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.952 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.53 ' O ' HD12 ' A' ' 46' ' ' LEU . 25.0 ttp180 -82.31 116.56 21.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.843 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 19.2 m -127.54 172.69 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.713 ' HB2' HD11 ' A' ' 47' ' ' LEU . 14.6 tt0 -137.68 138.85 39.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -78.29 162.23 26.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -59.27 -28.37 66.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -79.7 -50.25 10.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 145.93 34.5 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.518 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -109.81 119.14 38.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.485 ' HG2' HD11 ' A' ' 47' ' ' LEU . 3.6 mt-10 -110.81 179.32 4.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 147.78 167.66 13.54 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.469 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -85.57 136.51 33.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.899 0.381 . . . . 0.0 110.929 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.581 HG11 ' HG ' ' A' ' 38' ' ' LEU . 3.4 m -144.72 155.3 56.37 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.599 0.714 . . . . 0.0 111.15 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 109.82 2.4 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.5 p -42.64 -37.32 1.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.787 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.3 p -41.66 -44.2 3.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -68.96 -45.17 71.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.401 HD13 HG21 ' A' ' 22' ' ' VAL . 66.9 mt -68.75 148.89 49.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.4 m -145.04 133.35 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -63.98 110.24 2.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.5 tttp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.969 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 50.5 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.818 0.342 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.535 HG13 ' HB3' ' A' ' 43' ' ' GLU . 63.9 t -84.64 120.79 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.609 HG21 HD13 ' A' ' 72' ' ' LEU . 15.8 m -113.68 152.76 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.523 HD12 ' N ' ' A' ' 23' ' ' ILE . 2.8 mp -118.8 144.77 26.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.47 133.26 35.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.67 HD21 HG11 ' A' ' 73' ' ' VAL . 7.4 mt -80.92 -31.06 35.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.409 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 1.7 m-85 -136.99 157.06 47.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -78.14 107.14 10.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 53.7 t80 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 -179.817 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.893 0.378 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.468 ' HG ' ' N ' ' A' ' 37' ' ' ALA . 6.2 tp -101.78 150.01 23.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.468 ' N ' ' HG ' ' A' ' 36' ' ' LEU . . . -98.09 103.51 15.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.084 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.709 ' HG ' HG11 ' A' ' 67' ' ' VAL . 37.0 mt -64.87 162.36 16.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.909 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.8 tpp180 -119.62 144.5 47.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.6 ttp85 -67.79 133.67 49.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 60.31 51.25 5.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -140.03 143.25 36.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.535 ' HB3' HG13 ' A' ' 21' ' ' VAL . 17.6 mp0 -92.74 157.18 16.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.502 ' CD1' ' C ' ' A' ' 43' ' ' GLU . 26.7 m-85 -148.31 147.22 29.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.943 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 53.9 t -89.96 119.19 30.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.683 ' HA ' HG12 ' A' ' 57' ' ' VAL . 57.9 tp -72.14 119.5 16.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.721 HD11 ' HB2' ' A' ' 58' ' ' GLN . 10.5 mt -92.9 -66.5 0.92 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -132.7 119.64 20.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.815 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 88.7 p -101.85 29.18 5.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 55.6 m -40.47 -57.73 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -81.55 -179.2 7.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.8 mt -112.42 -49.23 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -77.9 -32.23 51.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 80.8 m95 -116.07 108.07 15.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 14.6 m0 -104.91 144.01 32.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 45.6 ttt180 -100.4 113.37 26.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.683 HG12 ' HA ' ' A' ' 46' ' ' LEU . 18.0 m -131.81 166.91 27.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.096 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.721 ' HB2' HD11 ' A' ' 47' ' ' LEU . 13.6 tt0 -119.14 127.9 53.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.28 -179.05 2.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 32.5 ptt180 -72.5 -23.69 61.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -71.6 -40.95 69.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 126.82 9.37 4.34 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.518 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -98.93 169.06 9.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.77 0.319 . . . . 0.0 110.884 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -142.93 173.02 11.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 168.13 154.84 9.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.509 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -70.48 100.93 1.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 0.0 110.931 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.709 HG11 ' HG ' ' A' ' 38' ' ' LEU . 3.3 m -105.47 150.72 39.31 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.614 0.721 . . . . 0.0 111.117 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 104.1 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.653 2.236 . . . . 0.0 112.337 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 70' ' ' SER . 60.8 p -39.57 -45.62 1.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 69' ' ' SER . 37.5 m -36.38 -48.29 0.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.409 ' CE2' ' HB2' ' A' ' 26' ' ' TYR . 2.8 m-85 -64.69 -45.87 84.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.953 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.609 HD13 HG21 ' A' ' 22' ' ' VAL . 65.0 mt -69.93 140.87 53.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.67 HG11 HD21 ' A' ' 25' ' ' LEU . 3.9 m -132.46 137.17 54.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.14 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -67.6 111.31 4.11 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 21.4 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.816 0.341 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 88.0 t -118.1 124.91 73.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.084 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.5 m -115.65 166.77 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.425 HD12 ' N ' ' A' ' 23' ' ' ILE . 2.7 mp -132.52 145.86 33.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.143 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.57 109.72 21.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.458 HD21 HG11 ' A' ' 73' ' ' VAL . 16.1 mt -55.32 -41.27 72.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -125.88 160.63 29.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -81.01 102.76 10.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.858 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 85.7 t80 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.913 -179.786 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.897 0.38 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.438 ' HG ' ' N ' ' A' ' 37' ' ' ALA . 12.4 tp -138.67 151.71 47.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.438 ' N ' ' HG ' ' A' ' 36' ' ' LEU . . . -103.01 109.43 20.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.621 ' HG ' HG11 ' A' ' 67' ' ' VAL . 91.1 mt -79.0 157.84 28.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.943 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.9 ttt85 -111.65 142.68 43.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.424 ' HB2' ' NH1' ' A' ' 40' ' ' ARG . 22.1 ttm105 -67.33 127.38 32.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 71.36 38.35 1.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -128.76 138.63 52.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -90.36 153.3 20.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.461 ' CD2' ' HA ' ' A' ' 59' ' ' ASP . 57.1 m-85 -143.52 163.45 33.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 2.7 t -105.41 116.08 31.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.8 tp -67.23 106.84 2.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.617 HD11 ' HG2' ' A' ' 64' ' ' GLU . 27.3 mt -70.03 -62.46 1.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -145.32 147.75 32.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 45.5 p -112.5 31.33 6.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.1 t -38.92 -47.08 1.39 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -104.45 -179.11 3.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 81.6 mt -108.5 -56.42 4.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.127 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -66.52 -28.42 68.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -121.72 123.97 43.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 19.7 m0 -117.36 148.39 41.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 60.1 ttt180 -98.07 126.32 43.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.3 m -135.41 172.44 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -135.27 108.68 7.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.461 ' HA ' ' CD2' ' A' ' 44' ' ' TYR . 29.5 t70 -47.54 168.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -65.49 -34.38 78.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -73.19 -50.12 24.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 144.67 37.13 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.2 m170 -111.25 120.81 43.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.794 0.331 . . . . 0.0 110.842 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.617 ' HG2' HD11 ' A' ' 47' ' ' LEU . 17.0 mt-10 -108.63 169.03 8.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 159.95 -175.67 36.75 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.528 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -101.08 122.95 44.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.927 0.394 . . . . 0.0 110.913 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.621 HG11 ' HG ' ' A' ' 38' ' ' LEU . 6.6 m -128.01 153.75 78.4 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.646 0.736 . . . . 0.0 111.138 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.413 ' HG2' ' CD1' ' A' ' 71' ' ' TYR . 54.1 Cg_endo -69.69 112.12 2.98 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.708 2.272 . . . . 0.0 112.366 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 81.8 p -44.83 -34.25 2.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 31.8 m -45.59 -40.25 8.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.848 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.413 ' CD1' ' HG2' ' A' ' 68' ' ' PRO . 6.1 m-85 -73.44 -43.2 60.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.989 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 92.2 mt -70.67 142.49 51.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.458 HG11 HD21 ' A' ' 25' ' ' LEU . 2.1 m -141.12 134.77 31.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.128 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -64.7 114.92 4.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.2 tptp . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 179.97 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.3 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.815 0.34 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 75.7 t -99.84 144.06 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.127 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.456 HG12 ' HA ' ' A' ' 74' ' ' GLU . 4.3 m -138.7 139.29 41.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.099 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.85 HD11 ' HG2' ' A' ' 75' ' ' LYS . 3.2 mp -104.12 146.0 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 39' ' ' ARG . . . -89.57 124.83 34.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.078 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.628 HD21 HG11 ' A' ' 73' ' ' VAL . 11.3 mt -67.45 -33.31 74.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.964 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -132.06 171.7 13.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.47 71.9 3.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.859 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 26.7 t80 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -179.829 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.891 0.377 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.528 HD11 ' HB2' ' A' ' 63' ' ' HIS . 6.0 tp -108.49 152.17 25.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.47 ' N ' ' HG ' ' A' ' 36' ' ' LEU . . . -93.52 100.42 12.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.134 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.786 ' HG ' HG11 ' A' ' 67' ' ' VAL . 36.1 mt -61.59 162.52 8.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' A' ' 40' ' ' ARG . 15.2 tpt180 -123.01 145.29 48.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.421 ' N ' ' HG3' ' A' ' 39' ' ' ARG . 32.7 ttt180 -65.1 129.63 40.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 63.17 41.89 7.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -128.77 130.95 47.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -82.2 158.93 23.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.418 ' CE2' ' OD1' ' A' ' 59' ' ' ASP . 75.8 m-85 -151.8 129.09 11.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.7 p -72.75 131.06 41.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.417 ' HA ' HG12 ' A' ' 57' ' ' VAL . 48.7 tp -78.74 105.79 10.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 43.5 mt -76.71 -69.14 0.53 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.873 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -137.26 130.34 30.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 83.0 p -106.93 31.84 5.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.835 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.2 t -43.47 -48.49 7.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -88.95 179.48 6.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 69.6 mt -109.49 -53.71 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.137 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -76.03 -26.97 57.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 59.5 m95 -117.58 122.03 42.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 20.0 m0 -117.97 143.93 45.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.94 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 -96.2 118.53 32.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.417 HG12 ' HA ' ' A' ' 46' ' ' LEU . 17.7 m -133.93 166.31 29.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.165 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -119.91 140.54 50.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.418 ' OD1' ' CE2' ' A' ' 44' ' ' TYR . 13.9 t70 -77.01 166.22 23.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -71.53 -4.45 26.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 55.5 m-20 -109.04 -37.85 5.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 135.6 42.38 0.12 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.508 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.528 ' HB2' HD11 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -123.32 119.48 30.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.708 0.29 . . . . 0.0 110.871 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -111.04 169.28 8.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 158.49 162.64 12.03 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.533 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -81.85 117.26 21.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.915 0.388 . . . . 0.0 110.932 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.786 HG11 ' HG ' ' A' ' 38' ' ' LEU . 0.8 OUTLIER -121.47 157.1 57.25 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.626 0.727 . . . . 0.0 111.144 179.873 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 69' ' ' SER . 54.0 Cg_endo -69.76 102.28 1.01 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.669 2.246 . . . . 0.0 112.376 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 68' ' ' PRO . 96.1 p -36.88 -34.75 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 35.7 m -44.34 -50.05 9.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -64.67 -45.14 87.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.454 HD22 HG23 ' A' ' 22' ' ' VAL . 92.8 mt -69.51 131.89 45.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.947 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.628 HG11 HD21 ' A' ' 25' ' ' LEU . 2.1 m -122.23 135.17 63.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.456 ' HA ' HG12 ' A' ' 22' ' ' VAL . 7.2 tt0 -50.82 110.85 0.46 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.85 ' HG2' HD11 ' A' ' 23' ' ' ILE . 8.2 tmtm? . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.0 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.842 0.353 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.44 ' CG1' ' HB3' ' A' ' 43' ' ' GLU . 64.6 t -114.86 135.18 55.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.472 HG21 HD13 ' A' ' 72' ' ' LEU . 10.7 m -116.99 168.43 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.444 HD12 ' N ' ' A' ' 23' ' ' ILE . 3.4 mp -131.5 145.3 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.62 128.45 35.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.082 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.651 HD21 HG11 ' A' ' 73' ' ' VAL . 8.7 mt -77.04 -40.8 45.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -130.24 162.25 29.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -77.58 113.7 15.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.872 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 80.3 t80 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.829 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.9 mp0 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.896 0.379 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.473 ' O ' HG12 ' A' ' 67' ' ' VAL . 9.2 tp -95.59 145.41 25.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -92.73 104.05 16.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.12 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.525 ' HG ' HG11 ' A' ' 67' ' ' VAL . 83.7 mt -58.47 171.44 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.33 136.65 45.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 30.6 ttt-85 -60.96 129.92 43.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 61.73 52.66 3.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -145.37 130.16 18.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.44 ' HB3' ' CG1' ' A' ' 21' ' ' VAL . 4.3 mp0 -78.38 162.39 26.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.404 ' CD1' ' O ' ' A' ' 43' ' ' GLU . 71.2 m-85 -152.45 127.71 9.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 4.9 m -73.64 121.38 20.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.831 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.471 ' HA ' HG12 ' A' ' 57' ' ' VAL . 35.4 tp -69.38 122.48 19.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.932 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.41 HD12 ' HG2' ' A' ' 56' ' ' ARG . 93.6 mt -91.15 -52.52 4.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.915 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -168.14 120.49 0.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 50' ' ' SER . 2.0 m -86.03 36.08 0.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 49' ' ' SER . 54.5 m -36.32 -45.14 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -100.3 165.42 11.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.3 mp -83.4 -70.93 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -62.24 -42.57 99.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.2 m95 -96.7 118.75 33.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -113.64 138.69 49.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.41 ' HG2' HD12 ' A' ' 47' ' ' LEU . 19.1 ttp180 -86.27 122.78 30.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.471 HG12 ' HA ' ' A' ' 46' ' ' LEU . 17.5 m -142.99 164.61 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -126.36 141.39 51.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -75.49 171.33 14.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 32.9 ttt85 -67.34 -36.52 81.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -71.68 -52.4 18.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 149.13 36.17 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.504 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -118.52 111.22 18.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.753 0.311 . . . . 0.0 110.86 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.13 174.94 5.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 160.96 -168.17 36.21 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -98.45 112.98 24.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.96 0.409 . . . . 0.0 110.881 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.525 HG11 ' HG ' ' A' ' 38' ' ' LEU . 12.7 m -121.5 153.76 59.31 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.647 0.737 . . . . 0.0 111.108 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 105.32 1.46 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.698 2.265 . . . . 0.0 112.359 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 72' ' ' LEU . 91.2 p -38.67 -46.28 1.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 69' ' ' SER . 60.9 p -35.75 -50.71 0.65 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -62.76 -40.52 97.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.916 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 69' ' ' SER . 84.3 mt -71.83 143.59 49.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.956 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.651 HG11 HD21 ' A' ' 25' ' ' LEU . 10.5 m -132.18 141.18 46.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.175 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -72.1 104.21 3.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.4 ttpt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.947 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.4 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.828 0.347 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.8 t -101.4 135.48 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.8 m -129.37 153.87 39.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.111 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.616 HD11 ' HD3' ' A' ' 75' ' ' LYS . 17.2 mt -122.96 144.36 32.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.077 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.46 132.27 33.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.091 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.485 HD21 HG11 ' A' ' 73' ' ' VAL . 14.5 mt -79.47 -32.29 42.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.559 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 0.7 OUTLIER -133.07 156.88 46.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -76.9 95.31 4.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.821 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 86.6 t80 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.866 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.926 0.393 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.582 HD22 ' HA ' ' A' ' 64' ' ' GLU . 9.9 tp -118.43 149.91 40.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.419 ' N ' ' HG ' ' A' ' 36' ' ' LEU . . . -95.47 128.7 42.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 42.7 mt -96.09 167.1 11.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.442 ' HB3' ' CG ' ' A' ' 42' ' ' GLU . 11.2 ttp180 -122.51 150.8 42.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.2 ttp180 -72.14 124.98 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 41' ' ' ASN . 1.0 OUTLIER 66.93 46.37 1.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.908 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.442 ' CG ' ' HB3' ' A' ' 39' ' ' ARG . 26.2 mm-40 -132.05 133.37 44.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.404 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 36.5 mt-10 -83.0 155.14 24.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.404 ' CD1' ' C ' ' A' ' 43' ' ' GLU . 62.1 m-85 -148.91 144.67 27.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.943 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 49.7 t -89.88 124.57 34.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 26.1 tp -75.63 118.48 18.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.459 HD11 ' HB2' ' A' ' 58' ' ' GLN . 50.3 mt -82.87 -56.03 4.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -145.63 143.18 29.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 98.3 p -115.03 36.37 3.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.1 t -48.17 -55.17 11.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.82 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -88.55 171.7 9.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 27.9 mt -101.03 -55.5 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.143 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -70.66 -32.83 70.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -113.7 125.72 54.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 15.3 m0 -119.68 143.27 47.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.7 ttt180 -97.19 105.92 18.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.495 HG11 ' CD1' ' A' ' 72' ' ' LEU . 11.9 m -119.98 167.4 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.459 ' HB2' HD11 ' A' ' 47' ' ' LEU . 31.3 tt0 -123.74 141.09 52.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -83.5 163.91 20.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -60.18 -28.03 67.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -77.69 -48.31 17.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 139.8 34.7 0.14 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.522 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -121.34 129.74 53.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.728 0.299 . . . . 0.0 110.845 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.582 ' HA ' HD22 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -127.49 179.27 5.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 161.3 -175.65 37.9 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -90.79 105.06 17.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.956 0.407 . . . . 0.0 110.887 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.0 m -112.8 153.26 45.18 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.651 0.739 . . . . 0.0 111.13 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 106.5 1.68 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.616 2.21 . . . . 0.0 112.336 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.2 p -39.24 -35.09 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.832 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 61.3 m -44.36 -45.8 9.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.559 ' CE2' ' HB2' ' A' ' 26' ' ' TYR . 3.3 m-85 -69.98 -42.67 72.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.972 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.495 ' CD1' HG11 ' A' ' 57' ' ' VAL . 65.9 mt -70.48 141.27 52.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.485 HG11 HD21 ' A' ' 25' ' ' LEU . 1.9 m -138.45 132.18 41.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -65.77 108.77 2.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.616 ' HD3' HD11 ' A' ' 23' ' ' ILE . 16.2 tptp . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.958 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 87.6 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.778 0.323 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.712 HG11 ' OE1' ' A' ' 43' ' ' GLU . 54.1 t -98.14 121.69 48.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.173 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 44' ' ' TYR . 3.6 m -116.73 146.91 20.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.41 HD11 ' HD3' ' A' ' 75' ' ' LYS . 3.8 mp -109.76 151.87 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -98.8 118.79 36.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.9 mt -64.36 -35.18 80.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.496 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 3.0 m-85 -131.73 164.94 24.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -87.27 98.4 11.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.852 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 66.3 t80 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.834 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.953 0.406 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.413 ' HG ' ' N ' ' A' ' 37' ' ' ALA . 5.6 tp -105.51 147.07 28.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.929 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.413 ' N ' ' HG ' ' A' ' 36' ' ' LEU . . . -94.32 102.77 14.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.074 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.74 ' HG ' HG11 ' A' ' 67' ' ' VAL . 93.7 mt -71.43 144.92 49.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -102.26 145.2 29.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.818 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -68.54 137.4 54.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 56.42 51.86 10.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -142.36 133.45 25.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.712 ' OE1' HG11 ' A' ' 21' ' ' VAL . 19.0 mt-10 -76.85 159.66 29.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.485 ' O ' HG22 ' A' ' 22' ' ' VAL . 79.0 m-85 -156.49 125.49 6.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.5 p -70.68 136.57 49.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.838 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 68.3 tp -82.81 118.38 23.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 97.1 mt -85.04 -60.88 1.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -152.34 132.74 13.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.82 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 50' ' ' SER . 95.2 p -101.99 30.31 4.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 49' ' ' SER . 24.0 p -34.83 -45.7 0.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -100.73 165.28 11.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 39.8 mt -89.72 -53.72 8.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 -72.3 -47.23 51.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.843 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 67.1 m95 -96.88 122.54 39.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 10.1 m0 -116.76 140.5 49.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -91.34 118.3 30.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.0 m -128.14 171.98 15.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -128.22 137.4 52.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.467 ' HA ' ' CD2' ' A' ' 44' ' ' TYR . 27.4 t0 -80.81 167.88 19.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.7 tpt85 -53.2 -39.55 63.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -80.15 -36.37 35.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 141.23 -7.78 2.62 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.513 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -58.87 113.01 1.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.764 0.316 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.13 166.36 14.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 167.43 -161.66 35.47 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.51 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -102.07 128.6 48.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.88 0.371 . . . . 0.0 110.94 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.74 HG11 ' HG ' ' A' ' 38' ' ' LEU . 11.2 m -141.38 153.48 66.02 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.621 0.724 . . . . 0.0 111.155 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 112.57 3.13 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.663 2.242 . . . . 0.0 112.324 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 82.7 p -43.69 -38.55 3.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.6 m -40.61 -46.73 2.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.496 ' CE2' ' HB2' ' A' ' 26' ' ' TYR . 4.7 m-85 -66.57 -41.83 87.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 83.2 mt -69.33 146.75 51.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.0 m -147.04 132.66 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.135 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -65.36 116.18 6.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.41 ' HD3' HD11 ' A' ' 23' ' ' ILE . 19.6 tptp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 92.8 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.889 0.376 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.7 t -107.49 132.01 56.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.9 m -114.38 171.47 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.447 HD11 ' HD2' ' A' ' 75' ' ' LYS . 9.9 mt -134.54 147.59 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.512 ' HB3' ' O ' ' A' ' 39' ' ' ARG . . . -90.43 139.97 30.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.105 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.825 HD21 HG11 ' A' ' 73' ' ' VAL . 7.2 mt -90.59 -31.0 16.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.464 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 2.8 m-85 -132.77 151.76 51.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.33 93.4 2.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.858 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 53.5 t80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.828 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.878 0.37 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.8 tp -132.94 151.75 52.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.1 103.97 15.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.533 ' HG ' HG11 ' A' ' 67' ' ' VAL . 85.4 mt -70.24 169.42 13.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.512 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 5.2 tpp85 -133.36 136.29 45.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.492 ' O ' ' ND2' ' A' ' 41' ' ' ASN . 35.0 ttt180 -62.68 147.6 49.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 40' ' ' ARG . 8.6 p30 46.61 51.86 11.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -142.57 142.86 32.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.591 ' O ' ' CD1' ' A' ' 44' ' ' TYR . 38.6 mt-10 -83.86 158.95 21.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.591 ' CD1' ' O ' ' A' ' 43' ' ' GLU . 49.4 m-85 -155.04 132.46 11.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 8.9 t -81.78 129.71 34.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 61.9 tp -82.44 115.65 21.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.495 HD11 ' HB2' ' A' ' 58' ' ' GLN . 94.9 mt -79.52 -59.1 2.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -157.01 149.71 23.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.826 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 50' ' ' SER . 87.0 p -107.62 45.35 1.01 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 49' ' ' SER . 1.8 t -35.93 -39.86 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -123.24 -179.65 4.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 54.7 mt -93.52 -57.53 4.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.16 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -67.08 -43.72 81.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -98.43 124.83 43.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 12.4 m0 -117.4 138.88 51.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.9 ttm-85 -91.78 109.31 20.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.65 HG11 ' CD1' ' A' ' 72' ' ' LEU . 30.8 m -119.8 171.35 8.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.133 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.495 ' HB2' HD11 ' A' ' 47' ' ' LEU . 35.5 tt0 -130.27 119.26 22.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.434 ' OD1' ' C ' ' A' ' 63' ' ' HIS . 0.3 OUTLIER -64.03 172.95 2.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 36.2 ptt85 -68.1 -23.99 64.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 28.4 m-20 -73.74 -36.2 65.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.72 -9.93 5.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.491 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.434 ' C ' ' OD1' ' A' ' 59' ' ' ASP . 2.3 m170 -78.39 179.27 7.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.754 0.311 . . . . 0.0 110.845 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.458 ' CB ' ' O ' ' A' ' 57' ' ' VAL . 0.7 OUTLIER -162.91 -177.58 5.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 -179.875 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 164.68 170.54 29.77 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.461 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -85.31 107.58 17.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.908 0.385 . . . . 0.0 110.941 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.533 HG11 ' HG ' ' A' ' 38' ' ' LEU . 2.2 m -115.26 156.01 46.15 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.586 0.708 . . . . 0.0 111.172 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.515 ' HG2' ' CD1' ' A' ' 71' ' ' TYR . 53.6 Cg_endo -69.82 108.98 2.21 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.712 2.275 . . . . 0.0 112.315 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 64.4 p -42.72 -25.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.5 m -54.27 -43.62 71.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.515 ' CD1' ' HG2' ' A' ' 68' ' ' PRO . 5.4 m-85 -68.37 -45.43 72.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.65 ' CD1' HG11 ' A' ' 57' ' ' VAL . 93.2 mt -72.57 138.87 47.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.908 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.825 HG11 HD21 ' A' ' 25' ' ' LEU . 2.1 m -134.69 131.88 53.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -61.15 107.01 0.67 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.447 ' HD2' HD11 ' A' ' 23' ' ' ILE . 28.3 tttp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -151.64 147.58 26.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.897 0.38 . . . . 0.0 110.869 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.7 m -72.02 176.61 4.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.94 -64.49 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.489 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -106.19 -46.5 4.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.894 0.378 . . . . 0.0 110.852 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.9 m -134.85 133.32 39.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.868 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.64 14.6 56.3 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.465 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -118.02 106.95 13.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.875 0.369 . . . . 0.0 110.916 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -76.17 104.63 6.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.406 ' O ' ' CG ' ' A' ' 10' ' ' ASN . 31.9 t30 -116.11 47.04 1.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 -77.47 90.39 3.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.4 mtt180 -80.58 153.1 73.34 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.586 0.708 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 176.92 6.14 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.73 2.287 . . . . 0.0 112.288 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.668 HD22 ' N ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -108.27 -52.53 2.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.955 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -62.52 -179.0 0.22 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -111.9 146.01 33.91 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.61 0.719 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -6.75 19.32 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.671 2.247 . . . . 0.0 112.379 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -92.02 -43.23 9.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -75.49 145.89 41.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.3 m -74.87 113.95 12.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 64.9 t -113.13 120.33 62.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -111.12 163.26 8.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.421 HD12 ' N ' ' A' ' 23' ' ' ILE . 2.2 mp -132.12 148.23 32.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.101 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.8 126.27 38.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.572 HD21 HG11 ' A' ' 73' ' ' VAL . 6.4 mt -71.55 -31.08 66.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -137.93 160.32 39.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.97 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -80.8 97.69 7.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -76.63 145.24 38.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -136.21 147.8 47.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.955 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.627 HG21 ' HB3' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -149.24 162.74 39.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.147 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -110.54 15.77 21.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.28 144.02 30.9 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.61 0.719 . . . . 0.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -37.7 8.82 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.694 2.263 . . . . 0.0 112.346 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -64.22 -23.77 67.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.627 ' HB3' HG21 ' A' ' 30' ' ' THR . 52.8 mt-10 -96.6 152.89 18.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.404 HD11 ' HB2' ' A' ' 63' ' ' HIS . 6.5 tp -118.56 142.46 47.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.05 110.13 20.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.611 ' HG ' HG11 ' A' ' 67' ' ' VAL . 90.6 mt -75.12 161.92 28.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.935 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.5 tpp180 -119.17 136.77 54.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.0 ttp85 -64.25 126.83 29.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 71.39 40.25 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -134.34 128.93 34.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.532 ' O ' ' CD1' ' A' ' 44' ' ' TYR . 14.1 mp0 -78.39 162.51 26.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.532 ' CD1' ' O ' ' A' ' 43' ' ' GLU . 58.1 m-85 -154.35 138.48 16.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 4.0 t -77.53 121.61 24.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.5 tt -75.0 108.36 7.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.481 HD11 ' HG2' ' A' ' 64' ' ' GLU . 95.2 mt -72.65 -58.55 3.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.947 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -157.91 134.58 9.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 50' ' ' SER . 58.8 p -98.49 33.4 2.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 49' ' ' SER . 41.1 t -37.47 -53.39 1.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -92.04 179.95 5.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 46.9 mt -107.43 -57.32 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.116 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -69.64 -29.27 66.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.83 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 73.1 m95 -120.54 123.33 42.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 12.6 m0 -115.22 139.8 49.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.934 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.4 ttt85 -89.42 112.87 24.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.6 m -128.27 173.2 13.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -133.74 141.28 47.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 60' ' ' ARG . 13.3 t70 -77.75 174.11 11.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.47 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 14.5 ptt180 -72.24 -21.17 61.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -89.8 -40.54 12.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 135.58 42.56 0.12 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.507 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.404 ' HB2' HD11 ' A' ' 36' ' ' LEU . 3.8 m170 -119.77 111.08 17.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.748 0.308 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.481 ' HG2' HD11 ' A' ' 47' ' ' LEU . 3.4 mp0 -109.16 168.06 9.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 161.96 -173.73 38.33 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.427 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -93.47 127.05 38.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.915 0.388 . . . . 0.0 110.903 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.611 HG11 ' HG ' ' A' ' 38' ' ' LEU . 4.2 m -133.63 154.3 80.61 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.688 0.756 . . . . 0.0 111.091 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 104.21 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.32 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.5 p -40.63 -30.51 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.1 t -51.64 -46.44 63.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.843 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -66.66 -41.61 87.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.954 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.436 HD11 HG23 ' A' ' 67' ' ' VAL . 42.1 mt -68.7 143.32 54.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.93 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.572 HG11 HD21 ' A' ' 25' ' ' LEU . 2.1 m -138.37 144.63 29.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -75.82 115.48 15.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 76' ' ' SER . 27.7 tptt -42.1 102.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 75' ' ' LYS . 65.3 m -35.24 144.26 0.23 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.64 0.733 . . . . 0.0 110.895 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 154.85 67.38 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.698 2.265 . . . . 0.0 112.331 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -157.88 136.77 11.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.7 p30 39.02 46.22 1.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.423 ' CD1' ' OG1' ' A' ' 82' ' ' THR . 0.1 OUTLIER -130.44 112.62 13.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -99.01 82.23 2.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.423 ' OG1' ' CD1' ' A' ' 80' ' ' LEU . 13.5 m -143.12 143.52 31.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.169 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -121.62 128.24 51.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -92.73 86.99 5.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.922 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 23.4 t90 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.5 t -154.98 127.32 7.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.906 0.384 . . . . 0.0 110.86 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -124.16 144.02 50.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.54 57.91 0.11 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.48 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 m -92.32 121.0 33.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.858 0.361 . . . . 0.0 110.905 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.9 p -110.53 108.57 18.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.33 -55.0 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 46.91 41.02 10.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.801 0.334 . . . . 0.0 110.848 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -126.61 110.58 13.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -48.65 -57.31 6.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -166.87 142.51 4.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.465 ' HB2' ' CZ ' ' A' ' 12' ' ' ARG . 26.1 mtm105 -137.68 145.3 48.19 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.612 0.72 . . . . 0.0 110.839 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 156.33 63.41 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.697 2.265 . . . . 0.0 112.314 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.0 mt -85.74 -48.73 8.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 3.5 m95 -101.65 177.34 4.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -109.23 154.56 42.05 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.696 0.76 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -24.96 29.19 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.706 2.27 . . . . 0.0 112.363 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -65.6 -42.12 92.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.76 136.97 34.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.2 m -75.11 104.13 5.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.15 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.6 t -99.27 123.74 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -110.9 175.63 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.6 mt -143.77 142.45 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.172 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.37 131.51 34.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.075 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.807 HD21 HG11 ' A' ' 73' ' ' VAL . 9.5 mt -77.0 -34.68 57.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.456 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 1.8 m-85 -132.37 163.31 28.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -82.56 103.51 12.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.855 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -82.84 146.15 29.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.954 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -140.42 123.78 16.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.529 HG21 ' HB3' ' A' ' 35' ' ' GLU . 3.0 t -130.16 147.44 51.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.13 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 44.1 m-20 -90.05 -26.8 20.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.427 ' CG ' ' HD2' ' A' ' 33' ' ' PRO . 1.5 t70 -62.57 141.13 96.86 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.592 0.71 . . . . 0.0 110.88 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 32' ' ' ASP . 53.6 Cg_endo -69.74 -36.38 10.97 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.7 2.267 . . . . 0.0 112.35 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -69.21 -39.74 78.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.529 ' HB3' HG21 ' A' ' 30' ' ' THR . 45.4 mt-10 -74.53 147.66 41.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.2 tp -110.58 142.08 42.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -95.35 106.32 18.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.078 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.487 ' HG ' HG11 ' A' ' 67' ' ' VAL . 18.2 mt -67.72 -176.31 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -143.72 144.66 31.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.411 ' HG2' ' ND2' ' A' ' 41' ' ' ASN . 48.6 ttt180 -62.63 129.04 38.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.411 ' ND2' ' HG2' ' A' ' 40' ' ' ARG . 75.5 m-20 62.54 53.54 2.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -139.55 122.73 16.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.407 ' O ' ' CD1' ' A' ' 44' ' ' TYR . 2.5 mp0 -73.9 160.65 31.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.407 ' CD1' ' O ' ' A' ' 43' ' ' GLU . 74.0 m-85 -153.42 132.79 12.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.972 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 32.3 t -79.3 106.54 11.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.904 HD12 HG12 ' A' ' 57' ' ' VAL . 24.3 tp -60.68 126.06 26.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.41 HD11 ' HB2' ' A' ' 58' ' ' GLN . 65.6 mt -93.83 -64.61 1.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -143.86 146.2 32.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 57.1 p -116.58 45.77 1.75 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.2 p -44.64 -35.44 2.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.434 ' O ' ' CD1' ' A' ' 55' ' ' TRP . 49.9 mt-10 -118.8 176.9 5.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.867 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.2 mt -97.18 -53.34 8.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -70.83 -40.3 72.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 79.4 m95 -106.42 117.89 35.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.454 ' CD2' ' HB2' ' A' ' 69' ' ' SER . 19.8 m0 -116.75 135.83 53.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -89.9 113.62 25.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.904 HG12 HD12 ' A' ' 46' ' ' LEU . 2.9 m -128.57 177.65 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.107 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.41 ' HB2' HD11 ' A' ' 47' ' ' LEU . 17.0 tt0 -136.39 142.19 43.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -83.93 162.04 20.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -60.42 -28.84 68.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 29.6 m-20 -77.16 -38.66 51.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 129.6 30.57 0.64 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.48 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.468 ' N ' ' CD2' ' A' ' 63' ' ' HIS . 0.6 OUTLIER -115.49 120.25 38.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.786 0.327 . . . . 0.0 110.885 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.412 ' CB ' ' O ' ' A' ' 57' ' ' VAL . 0.1 OUTLIER -120.42 179.1 4.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 160.2 -171.43 36.46 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.486 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -94.18 105.22 17.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.877 0.37 . . . . 0.0 110.962 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.487 HG11 ' HG ' ' A' ' 38' ' ' LEU . 3.3 m -116.36 152.79 48.45 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.623 0.725 . . . . 0.0 111.126 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 108.04 1.99 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.69 2.26 . . . . 0.0 112.409 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.454 ' HB2' ' CD2' ' A' ' 55' ' ' TRP . 1.8 t -44.98 -30.6 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 m -47.03 -51.38 17.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.456 ' CE2' ' HB2' ' A' ' 26' ' ' TYR . 3.1 m-85 -63.72 -39.51 94.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 59.9 mt -68.81 141.5 55.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.963 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.807 HG11 HD21 ' A' ' 25' ' ' LEU . 3.8 m -134.79 142.01 41.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -73.21 109.2 6.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -48.05 115.55 1.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.1 m -71.05 160.95 80.89 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.659 0.742 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 1.09 4.69 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.709 2.273 . . . . 0.0 112.339 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 29.7 p30 -51.81 176.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -54.67 150.84 8.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.6 mp -94.59 83.2 4.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.971 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -73.63 87.82 1.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 73.1 p -114.96 125.78 54.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -105.62 41.53 1.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -97.1 88.92 4.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 13.2 p-90 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.947 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m 40.49 49.54 2.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.9 0.381 . . . . 0.0 110.831 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.8 p -138.52 135.19 34.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.868 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.37 166.44 35.17 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.482 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 t -130.31 123.02 29.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.878 0.37 . . . . 0.0 110.836 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.8 m -152.17 115.77 4.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.94 78.57 0.43 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.499 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -150.56 160.46 43.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.836 0.35 . . . . 0.0 110.901 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.446 ' C ' ' OD1' ' A' ' 9' ' ' ASP . 0.3 OUTLIER -133.36 152.21 51.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -77.08 92.82 3.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.4 ttp-105 -73.47 140.76 46.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 63.2 mtm180 -147.45 146.0 23.48 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.638 0.733 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 147.19 61.96 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.662 2.242 . . . . 0.0 112.353 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 mp -82.19 -57.88 3.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -91.66 -178.17 4.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -115.42 151.25 45.78 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.638 0.732 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -2.5 10.31 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.665 2.244 . . . . 0.0 112.345 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -92.46 -43.42 9.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.851 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.558 ' O ' HG23 ' A' ' 21' ' ' VAL . 43.7 mt-10 -79.49 117.83 20.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.2 m -53.45 102.94 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.168 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 19' ' ' GLU . 74.0 t -104.24 134.61 45.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.424 HG23 HD22 ' A' ' 72' ' ' LEU . 3.4 m -121.45 159.7 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.667 HD11 ' CD ' ' A' ' 75' ' ' LYS . 3.6 mp -125.77 146.7 31.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.117 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.45 126.44 35.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.5 mt -73.02 -31.34 64.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.464 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 4.5 m-85 -133.99 166.92 21.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -88.06 93.09 9.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.481 ' HB2' ' CD2' ' A' ' 71' ' ' TYR . 28.2 t80 -71.03 149.7 46.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -131.99 139.38 48.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.4 t -155.2 151.3 27.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -120.55 39.58 3.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.426 ' CG ' ' HD2' ' A' ' 33' ' ' PRO . 1.7 t70 -126.98 141.1 39.6 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.62 0.724 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.426 ' HD2' ' CG ' ' A' ' 32' ' ' ASP . 53.9 Cg_endo -69.7 -21.07 34.28 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.726 2.284 . . . . 0.0 112.348 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -83.13 -33.07 26.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.444 ' N ' ' OE1' ' A' ' 35' ' ' GLU . 13.0 mp0 -99.14 158.63 15.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.404 ' O ' HG12 ' A' ' 67' ' ' VAL . 6.2 tp -120.71 141.04 50.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.42 103.21 15.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 71.8 mt -63.27 160.29 16.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.945 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.6 ttt85 -118.43 145.13 45.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 25.7 ttt-85 -69.12 121.93 17.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 74.51 39.26 0.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -129.05 140.2 51.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.46 ' OE1' ' N ' ' A' ' 43' ' ' GLU . 2.6 mp0 -91.46 154.55 19.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -148.01 143.95 27.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 41.4 t -88.37 132.76 34.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.765 HD21 ' OG ' ' A' ' 49' ' ' SER . 17.6 tp -83.79 112.08 19.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.943 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.922 HD11 ' HB2' ' A' ' 58' ' ' GLN . 16.3 mt -83.11 -56.21 3.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -153.48 123.25 6.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.765 ' OG ' HD21 ' A' ' 46' ' ' LEU . 25.5 m -101.17 39.23 1.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.821 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.0 t -42.14 -52.71 4.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -88.2 163.25 16.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.895 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 22.3 mt -88.45 -53.81 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 44.0 m-70 -73.66 -35.68 65.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 67.8 m95 -108.04 122.17 46.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.448 ' NE1' ' HB3' ' A' ' 49' ' ' SER . 13.5 m0 -117.11 143.67 45.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.909 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 31.3 ttt-85 -94.82 119.42 33.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.505 HG11 ' CD1' ' A' ' 72' ' ' LEU . 29.1 m -130.84 172.29 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.922 ' HB2' HD11 ' A' ' 47' ' ' LEU . 40.0 tt0 -138.33 121.84 17.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.485 ' CG ' ' N ' ' A' ' 60' ' ' ARG . 3.4 t70 -63.79 168.35 5.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.869 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.485 ' N ' ' CG ' ' A' ' 59' ' ' ASP . 22.7 tpt180 -57.54 -37.85 73.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.854 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -73.69 -46.53 45.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 139.66 31.69 0.18 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.468 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -99.31 110.89 23.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.764 0.316 . . . . 0.0 110.844 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.489 ' HG2' HD11 ' A' ' 47' ' ' LEU . 6.1 mt-10 -106.2 164.81 11.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 160.16 153.91 7.11 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.528 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -65.33 117.93 8.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.911 0.386 . . . . 0.0 110.955 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.404 HG12 ' O ' ' A' ' 36' ' ' LEU . 1.9 m -123.07 151.19 61.21 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.649 0.738 . . . . 0.0 111.099 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 103.0 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.656 2.237 . . . . 0.0 112.314 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.3 p -39.47 -34.46 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.84 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.6 m -45.19 -48.59 12.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.481 ' CD2' ' HB2' ' A' ' 28' ' ' TYR . 3.4 m-85 -66.98 -44.96 79.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.926 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.505 ' CD1' HG11 ' A' ' 57' ' ' VAL . 76.9 mt -67.35 144.67 55.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.0 m -144.3 134.16 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -56.82 112.98 1.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.667 ' CD ' HD11 ' A' ' 23' ' ' ILE . 18.8 tptp -40.95 110.51 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.1 p -43.71 152.14 0.46 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.677 0.751 . . . . 0.0 110.851 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -35.13 13.3 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.671 2.247 . . . . 0.0 112.37 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -74.8 127.65 33.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -84.65 103.09 13.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.1 tp -88.73 153.63 20.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -79.35 96.14 5.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 29.2 p -86.49 156.12 20.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.149 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -69.73 118.95 13.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.421 ' O ' ' CD ' ' A' ' 84' ' ' GLU . 1.1 pp20? -115.68 39.66 2.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.86 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 55.2 m95 . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.927 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.6 m -128.95 166.57 18.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.89 0.376 . . . . 0.0 110.843 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.5 t -77.12 -47.68 19.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.84 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.2 -130.81 4.97 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.532 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.8 t -55.09 157.63 3.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.878 0.37 . . . . 0.0 110.862 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -96.56 -47.34 5.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.19 48.7 5.28 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -75.01 164.78 26.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.886 0.374 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -161.78 144.71 12.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -80.46 134.72 36.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.8 ttm-85 -61.79 134.53 56.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 47.2 mtm180 -98.09 149.34 35.63 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.62 0.724 . . . . 0.0 110.837 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 175.39 8.21 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.325 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.428 ' CD2' ' N ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -105.52 -55.15 2.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 8.0 m95 -86.43 -178.96 6.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -117.72 154.11 50.89 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.611 0.72 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -41.01 4.58 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.706 2.27 . . . . 0.0 112.302 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -68.31 -42.73 79.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -58.18 165.0 2.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.7 m -103.0 107.21 17.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.177 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 89.4 t -100.15 136.32 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.156 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.479 HG21 HD13 ' A' ' 72' ' ' LEU . 3.0 m -128.31 153.9 38.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.3 mp -120.29 153.96 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.96 135.83 34.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.131 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.783 HD21 HG11 ' A' ' 73' ' ' VAL . 10.6 mt -84.06 -27.13 28.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.505 ' CE1' ' HB2' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -143.88 162.79 35.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.49 94.71 8.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -76.73 126.8 31.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -115.7 134.33 55.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 t -138.37 150.31 46.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.12 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -94.95 -28.96 14.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.43 ' CG ' ' HD2' ' A' ' 33' ' ' PRO . 1.8 t70 -62.96 141.13 97.63 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.632 0.73 . . . . 0.0 110.849 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.43 ' HD2' ' CG ' ' A' ' 32' ' ' ASP . 54.1 Cg_endo -69.71 -29.83 23.47 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.684 2.256 . . . . 0.0 112.381 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -72.85 -44.57 61.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -70.14 147.23 50.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 tp -109.21 145.76 35.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.16 109.44 21.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.417 ' HG ' HG11 ' A' ' 67' ' ' VAL . 39.7 mt -70.23 158.91 34.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.1 tpp85 -123.19 134.89 54.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.7 ttp180 -62.13 125.53 24.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.912 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 73.6 54.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -147.49 135.77 21.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -87.04 154.13 21.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -148.57 129.48 14.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 49.3 t -74.01 123.52 24.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.855 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 59.7 tp -74.18 101.72 4.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 80.8 mt -66.9 -67.19 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -144.65 146.45 32.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.7 p -110.32 36.71 2.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 26.2 t -38.24 -42.03 0.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -109.84 -178.05 3.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 83.9 mt -107.04 -47.7 8.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.09 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -75.98 -43.59 43.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 46.5 m95 -107.98 123.73 49.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 17.7 m0 -116.27 155.21 28.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -101.54 116.54 32.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.2 m -133.38 167.82 25.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -130.09 140.68 50.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -81.78 166.89 19.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 46.6 ttt-85 -58.58 -37.32 75.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -72.04 -49.64 35.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 143.89 33.07 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.469 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -111.02 120.33 42.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.801 0.334 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.445 ' C ' ' OE1' ' A' ' 64' ' ' GLU . 0.4 OUTLIER -124.94 168.85 12.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.878 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 166.25 -170.91 41.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.517 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -92.61 114.15 26.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.948 0.404 . . . . 0.0 110.892 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.417 HG11 ' HG ' ' A' ' 38' ' ' LEU . 3.5 m -123.23 154.15 65.21 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.626 0.726 . . . . 0.0 111.137 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.7 108.16 2.01 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.684 2.256 . . . . 0.0 112.321 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 94.8 p -41.56 -41.77 2.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.86 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.3 m -41.09 -51.77 3.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.789 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.48 ' CE2' ' HB2' ' A' ' 26' ' ' TYR . 7.0 m-85 -59.26 -37.99 78.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.479 HD13 HG21 ' A' ' 22' ' ' VAL . 59.1 mt -77.09 142.4 39.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.918 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.783 HG11 HD21 ' A' ' 25' ' ' LEU . 2.0 m -137.71 141.32 39.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.111 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -66.01 109.17 2.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.1 ttpt -44.49 117.72 1.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.6 t -38.31 147.38 0.26 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.692 0.758 . . . . 0.0 110.868 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -3.31 11.74 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.701 2.268 . . . . 0.0 112.357 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -47.54 144.15 3.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -85.42 143.98 28.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -125.52 9.29 7.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.932 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -67.75 94.49 0.45 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 74.3 p -104.9 171.23 7.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.147 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 60.72 45.44 10.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -104.55 89.56 3.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 89.4 m95 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.8 m -147.13 151.83 37.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.892 0.377 . . . . 0.0 110.842 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 m -151.42 135.87 16.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.871 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.428 ' N ' ' OE2' ' A' ' 8' ' ' GLU . . . -95.93 117.03 5.57 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.7 p -64.11 -49.16 73.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.862 0.363 . . . . 0.0 110.868 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.1 t -84.96 45.13 1.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.01 109.55 3.14 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.502 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.428 ' OE2' ' N ' ' A' ' 4' ' ' GLY . 13.4 mm-40 -51.99 -47.56 64.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.858 0.361 . . . . 0.0 110.884 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -153.05 155.07 36.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -119.69 170.74 8.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -133.96 121.85 22.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -133.66 147.81 66.04 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.557 0.694 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -177.14 1.74 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.672 2.248 . . . . 0.0 112.353 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.91 -44.71 3.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.953 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.709 ' HB2' HG21 ' A' ' 21' ' ' VAL . 17.1 m95 -113.33 -71.55 0.75 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -163.7 144.3 6.92 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.641 0.734 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -49.97 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.708 2.272 . . . . 0.0 112.299 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -85.55 35.68 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -141.03 144.7 35.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.3 m -95.5 105.27 17.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.709 HG21 ' HB2' ' A' ' 15' ' ' TRP . 85.9 t -93.48 134.21 31.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.4 m -125.56 153.11 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.839 HD11 ' HB2' ' A' ' 75' ' ' LYS . 2.0 mp -118.12 140.86 39.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.102 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.51 128.09 35.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.068 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.487 HD21 HG11 ' A' ' 73' ' ' VAL . 10.3 mt -68.51 -44.57 74.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -124.71 169.5 11.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -87.94 98.92 11.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -75.44 137.67 41.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -117.96 131.72 56.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.447 HG22 ' HB2' ' A' ' 37' ' ' ALA . 14.0 t -143.78 148.03 35.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -124.53 34.69 4.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -129.65 144.64 53.74 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.64 0.733 . . . . 0.0 110.847 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -23.51 30.78 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.673 2.249 . . . . 0.0 112.357 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -74.65 -32.9 62.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -105.13 176.31 5.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.415 ' HG ' ' N ' ' A' ' 37' ' ' ALA . 10.0 tp -133.92 149.87 51.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.928 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.447 ' HB2' HG22 ' A' ' 30' ' ' THR . . . -96.76 112.84 24.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.082 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.53 ' HG ' HG11 ' A' ' 67' ' ' VAL . 62.9 mt -80.6 175.94 10.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.466 ' HB3' ' CG ' ' A' ' 42' ' ' GLU . 23.5 ttt85 -135.49 149.8 49.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 56.3 ttt180 -70.11 131.19 43.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 64.73 37.83 7.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.466 ' CG ' ' HB3' ' A' ' 39' ' ' ARG . 32.1 mm-40 -127.91 119.99 26.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -76.16 154.01 35.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.421 ' CE1' ' O ' ' A' ' 42' ' ' GLU . 78.4 m-85 -141.62 130.2 22.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 38.3 t -72.58 109.37 6.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.664 HD11 ' CE3' ' A' ' 55' ' ' TRP . 3.0 tt -67.62 120.32 13.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.442 HD12 ' HG2' ' A' ' 56' ' ' ARG . 18.0 mt -85.71 -59.03 2.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -145.07 143.41 30.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 80.9 p -113.54 38.77 2.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.4 t -44.61 -57.47 3.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.812 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -90.46 -176.97 4.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 74.8 mt -108.22 -62.42 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.133 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -60.01 -39.77 86.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 45.9 m95 -112.98 125.59 54.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.664 ' CE3' HD11 ' A' ' 46' ' ' LEU . 10.5 m0 -119.15 150.91 39.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.442 ' HG2' HD12 ' A' ' 47' ' ' LEU . 54.4 ttt180 -96.59 109.71 22.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.813 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.443 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 13.6 m -126.43 174.92 9.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -140.07 128.95 23.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -69.06 164.65 21.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.64 -8.84 38.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -93.44 -46.67 7.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 140.26 32.71 0.15 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.47 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.2 m170 -120.28 121.78 39.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.78 0.324 . . . . 0.0 110.833 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.443 ' CB ' ' O ' ' A' ' 57' ' ' VAL . 0.2 OUTLIER -125.43 159.59 31.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 175.41 -164.02 34.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -97.29 110.67 23.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.947 0.403 . . . . 0.0 110.918 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.53 HG11 ' HG ' ' A' ' 38' ' ' LEU . 1.7 m -118.48 153.13 51.83 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.651 0.739 . . . . 0.0 111.123 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 107.67 1.91 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.674 2.25 . . . . 0.0 112.349 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.3 p -43.14 -35.08 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.9 m -44.96 -42.07 7.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -74.2 -42.93 59.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.6 mt -68.09 143.51 55.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.487 HG11 HD21 ' A' ' 25' ' ' LEU . 2.4 m -139.31 140.46 37.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -74.53 110.52 8.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.839 ' HB2' HD11 ' A' ' 23' ' ' ILE . 13.3 tttp -60.31 110.54 1.27 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 60.7 p -87.83 144.88 35.62 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.677 0.751 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' A' ' 79' ' ' ASN . 53.5 Cg_endo -69.8 2.1 3.86 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.657 2.238 . . . . 0.0 112.316 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.439 ' O ' ' C ' ' A' ' 79' ' ' ASN . 17.9 m120 -62.97 75.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.851 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 77' ' ' PRO . 5.8 p30 35.02 45.91 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.853 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.89 103.87 0.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -118.4 91.57 3.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.1 t -116.23 170.67 8.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -70.52 109.62 4.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.957 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -81.23 87.13 6.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 5.2 m95 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.944 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.2 t -65.11 134.74 54.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.356 . . . . 0.0 110.867 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.5 t -163.4 161.06 24.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.47 -149.12 21.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.1 t -116.29 122.72 45.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.861 0.362 . . . . 0.0 110.868 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.9 p -138.94 118.95 13.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.95 93.43 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -131.14 134.67 46.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.852 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -70.23 153.58 42.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -68.98 136.32 52.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.27 118.41 7.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.468 ' CG ' ' HD2' ' A' ' 13' ' ' PRO . 10.5 ttm180 -163.64 140.64 5.61 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.593 0.711 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 12' ' ' ARG . 53.7 Cg_endo -69.76 153.49 68.86 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.686 2.257 . . . . 0.0 112.365 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.1 mt -104.22 -55.76 2.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.437 ' CD1' ' OE1' ' A' ' 43' ' ' GLU . 3.7 m95 -72.53 -176.96 2.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.1 mp0 -108.74 154.65 41.61 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.642 0.734 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -50.54 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.662 2.242 . . . . 0.0 112.346 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -49.47 -43.0 44.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -69.78 151.89 45.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.913 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.4 m -92.03 114.33 26.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.2 t -113.77 136.03 51.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.584 ' CG2' HD22 ' A' ' 72' ' ' LEU . 4.5 m -124.82 168.81 16.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.176 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.3 mt -130.01 149.08 33.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.01 119.64 32.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.077 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.645 HD21 HG11 ' A' ' 73' ' ' VAL . 9.1 mt -66.29 -39.92 89.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -130.71 152.45 50.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -73.68 95.8 2.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.836 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -75.36 135.52 40.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -117.3 144.6 44.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.94 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.433 ' O ' HG23 ' A' ' 30' ' ' THR . 5.6 t -166.11 119.48 1.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -90.0 41.69 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -120.92 146.57 44.18 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.619 0.723 . . . . 0.0 110.903 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -47.76 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.737 2.292 . . . . 0.0 112.269 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.8 pm0 -72.85 -0.86 14.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -121.12 144.58 48.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.7 tp -114.75 145.12 42.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -96.46 104.38 16.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.729 ' HG ' HG11 ' A' ' 67' ' ' VAL . 61.7 mt -59.63 163.76 4.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -121.32 129.3 53.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -60.48 129.51 41.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 64.95 51.8 1.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -145.16 136.09 24.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.437 ' OE1' ' CD1' ' A' ' 15' ' ' TRP . 16.6 mt-10 -78.65 153.17 31.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -148.79 127.56 12.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.942 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 49.0 t -76.43 133.57 39.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 27.1 tp -81.55 106.74 13.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.656 HD12 ' HG2' ' A' ' 56' ' ' ARG . 62.5 mt -68.21 -57.24 6.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -156.68 138.95 14.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 78.0 p -101.77 37.85 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.7 p -45.1 -48.23 12.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -103.51 -178.31 3.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 86.8 mt -110.57 -49.46 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -71.3 -44.41 65.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 62.0 m95 -112.9 118.59 35.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 16.7 m0 -108.27 158.6 17.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.656 ' HG2' HD12 ' A' ' 47' ' ' LEU . 34.4 ttt180 -103.63 115.32 30.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.876 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.1 m -130.63 171.17 18.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -137.69 136.03 37.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.424 ' CG ' ' N ' ' A' ' 60' ' ' ARG . 11.9 t70 -76.27 166.72 23.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.424 ' N ' ' CG ' ' A' ' 59' ' ' ASP . 7.2 ptt180 -63.95 -26.63 68.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -75.96 -51.03 13.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 142.2 34.04 0.1 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -119.11 125.26 48.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.716 0.293 . . . . 0.0 110.844 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -125.26 178.51 5.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 163.17 -143.8 8.98 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.483 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -120.87 126.8 50.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.919 0.39 . . . . 0.0 110.9 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.729 HG11 ' HG ' ' A' ' 38' ' ' LEU . 4.6 m -137.1 153.38 75.1 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.624 0.726 . . . . 0.0 111.103 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 110.8 2.64 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.706 2.271 . . . . 0.0 112.335 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 85.3 p -43.85 -37.42 2.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 71.7 m -42.39 -42.6 3.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -71.7 -37.98 70.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.584 HD22 ' CG2' ' A' ' 22' ' ' VAL . 81.8 mt -70.76 133.3 46.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.645 HG11 HD21 ' A' ' 25' ' ' LEU . 2.0 m -127.02 132.67 69.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -64.65 106.88 1.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 76' ' ' SER . 67.0 tttt -55.03 116.18 2.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.9 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 75' ' ' LYS . 74.1 m -37.19 144.96 0.28 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.654 0.74 . . . . 0.0 110.872 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.8 -166.97 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.618 2.212 . . . . 0.0 112.361 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -132.05 -50.02 0.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 56.1 t30 58.43 45.18 17.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.71 113.84 25.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -74.39 94.31 2.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.567 ' O ' HG22 ' A' ' 82' ' ' THR . 12.1 m -95.94 26.08 4.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -100.64 128.01 46.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -108.78 85.89 2.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.872 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.982 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 m -147.78 127.95 13.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.361 . . . . 0.0 110.884 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 m -157.35 173.63 16.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.31 -71.79 0.27 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.481 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.8 p -110.23 144.73 38.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.905 0.383 . . . . 0.0 110.888 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -133.23 -62.54 0.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.83 89.92 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.448 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.77 133.79 47.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.855 0.359 . . . . 0.0 110.9 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -111.25 110.23 20.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -108.24 93.7 4.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -65.81 134.18 52.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.466 ' CG ' ' HD2' ' A' ' 13' ' ' PRO . 47.6 ttt180 -156.47 139.92 11.18 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.567 0.699 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.544 ' C ' HD13 ' A' ' 14' ' ' LEU . 53.3 Cg_endo -69.81 170.75 15.9 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.646 2.231 . . . . 0.0 112.346 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.753 ' H ' HD22 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -109.67 -43.99 3.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 37.0 m95 -90.13 -176.61 4.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.945 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -88.8 145.34 34.65 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.679 0.752 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -23.36 31.21 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.708 2.272 . . . . 0.0 112.367 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -112.07 41.41 1.97 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -135.74 124.27 23.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.3 m -60.89 113.97 2.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 43' ' ' GLU . 54.7 t -119.43 141.27 40.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.102 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.411 ' CG2' HD22 ' A' ' 72' ' ' LEU . 1.6 m -125.71 158.53 34.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.118 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.2 mt -125.3 141.35 45.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -85.98 127.31 34.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.133 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.577 HD21 HG11 ' A' ' 73' ' ' VAL . 17.8 mt -73.91 -37.66 64.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -129.03 142.21 50.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 27' ' ' ASP . 7.3 p-10 -62.65 92.05 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.452 ' HB2' ' CD2' ' A' ' 71' ' ' TYR . 63.3 t80 -76.66 152.88 35.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -138.76 153.13 48.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.0 t -172.2 130.98 0.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.198 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.59 ' H ' ' ND2' ' A' ' 31' ' ' ASN . 0.0 OUTLIER -98.15 11.94 36.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.14 143.79 27.18 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.602 0.715 . . . . 0.0 110.818 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 -34.66 14.44 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.687 2.258 . . . . 0.0 112.386 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -64.73 -25.21 67.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -116.6 161.92 18.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.465 ' HG ' ' N ' ' A' ' 37' ' ' ALA . 7.3 tp -122.6 150.82 42.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.465 ' N ' ' HG ' ' A' ' 36' ' ' LEU . . . -95.1 109.45 21.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 84.5 mt -77.99 162.87 26.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.94 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -117.54 137.82 52.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.1 ttm180 -61.51 127.94 33.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 63.29 53.45 2.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -142.94 133.11 24.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.563 ' O ' ' CD1' ' A' ' 44' ' ' TYR . 17.2 mp0 -80.43 163.36 23.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.937 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.563 ' CD1' ' O ' ' A' ' 43' ' ' GLU . 41.1 m-85 -152.66 149.97 28.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.983 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.7 p -97.07 102.02 13.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.6 tp -55.13 131.93 46.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.566 HD11 ' HB2' ' A' ' 58' ' ' GLN . 89.6 mt -95.7 -52.26 4.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -147.4 148.57 31.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.4 p -124.39 38.95 4.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.3 t -54.63 -45.25 73.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -96.85 163.61 12.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 40.1 mt -95.12 -56.37 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.096 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 33.9 m-70 -67.98 -39.26 83.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 70.3 m95 -107.67 123.76 48.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 8.6 m0 -117.22 142.8 46.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.935 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -101.37 110.21 22.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.451 HG11 HD13 ' A' ' 72' ' ' LEU . 16.3 m -123.0 164.62 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.156 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.566 ' HB2' HD11 ' A' ' 47' ' ' LEU . 37.5 tt0 -116.47 129.0 55.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.548 ' HA ' ' CD2' ' A' ' 44' ' ' TYR . 31.1 t70 -66.91 169.4 8.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' A' ' 61' ' ' ASN . 8.9 ptt-85 -68.71 -33.85 74.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.407 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 35.0 m-20 -69.54 -50.95 40.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 145.56 33.75 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.468 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.412 ' C ' ' HG3' ' A' ' 64' ' ' GLU . 2.9 m170 -111.82 174.17 6.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.728 0.299 . . . . 0.0 110.836 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.412 ' HG3' ' C ' ' A' ' 63' ' ' HIS . 9.1 mt-10 -156.3 171.53 20.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 156.69 152.14 6.19 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.548 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -67.36 127.08 31.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.883 0.373 . . . . 0.0 110.929 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.2 m -132.81 154.78 81.57 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.655 0.74 . . . . 0.0 111.156 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 107.39 1.84 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.726 2.284 . . . . 0.0 112.371 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 25.3 p -40.74 -30.43 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.846 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.8 m -48.84 -49.92 36.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.452 ' CD2' ' HB2' ' A' ' 28' ' ' TYR . 3.2 m-85 -64.89 -43.32 93.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.451 HD13 HG11 ' A' ' 57' ' ' VAL . 94.3 mt -73.08 141.27 47.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.577 HG11 HD21 ' A' ' 25' ' ' LEU . 2.1 m -133.87 133.03 56.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.088 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -66.25 105.06 1.31 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 54.6 tttt -44.29 116.61 1.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.948 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.2 m -70.37 145.04 92.68 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.611 0.719 . . . . 0.0 110.902 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -32.33 19.03 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.722 2.281 . . . . 0.0 112.333 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.49 -61.39 1.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 62.15 51.22 3.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.416 ' H ' HD12 ' A' ' 80' ' ' LEU . 0.3 OUTLIER -113.29 50.79 0.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -116.18 66.39 0.71 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 67.2 p -76.22 163.75 26.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.165 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -82.27 133.93 35.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -113.58 84.28 1.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 34.3 p-90 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.8 t 38.6 42.13 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.879 0.371 . . . . 0.0 110.833 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.3 p -40.96 134.04 2.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.876 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.75 56.87 0.56 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.49 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.1 m -141.67 160.21 40.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.893 0.378 . . . . 0.0 110.827 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -161.15 126.8 3.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.84 131.38 9.75 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.475 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -102.05 -43.26 5.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 0.0 110.919 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -108.04 39.57 1.93 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -109.03 -57.39 2.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 67.5 mtt180 -108.5 158.95 17.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.463 ' CG ' ' HD2' ' A' ' 13' ' ' PRO . 24.8 ttt180 -136.47 139.24 28.96 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.64 0.733 . . . . 0.0 110.859 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.463 ' HD2' ' CG ' ' A' ' 12' ' ' ARG . 54.2 Cg_endo -69.73 174.95 8.73 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.66 2.24 . . . . 0.0 112.353 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.623 HD22 ' N ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -108.04 -43.85 4.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.52 ' CD1' ' HB2' ' A' ' 14' ' ' LEU . 2.5 m95 -110.53 -176.78 3.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -91.04 149.5 40.12 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.692 0.758 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -49.07 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.645 2.23 . . . . 0.0 112.335 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -56.85 -43.46 81.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -67.0 145.72 55.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 58.6 m -78.45 124.8 28.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.155 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 72.5 t -123.7 125.83 71.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.0 m -116.84 154.7 18.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.141 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.578 HD11 ' HB2' ' A' ' 75' ' ' LYS . 3.9 mp -118.34 147.82 21.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.32 117.45 30.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.3 mt -61.99 -29.87 70.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.478 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 1.3 m-85 -139.11 170.56 15.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.415 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 17.2 p-10 -92.19 92.05 8.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -68.92 159.47 32.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.428 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 22.2 pt20 -144.07 150.35 38.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.44 143.78 25.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.191 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -91.2 -18.03 25.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.25 145.6 34.47 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.605 0.717 . . . . 0.0 110.855 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -43.58 2.57 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.677 2.251 . . . . 0.0 112.351 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -49.9 -43.92 49.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.953 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -82.82 156.98 23.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.3 tp -117.59 141.91 47.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.962 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.428 ' HB1' ' HA ' ' A' ' 29' ' ' GLN . . . -94.54 106.22 18.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.069 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.589 ' HG ' HG11 ' A' ' 67' ' ' VAL . 82.5 mt -65.99 163.57 16.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -123.66 143.56 50.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -63.64 136.25 57.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 56.77 50.53 12.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -139.02 126.25 21.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.463 ' OE1' ' CD1' ' A' ' 15' ' ' TRP . 21.0 mt-10 -75.37 151.88 38.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -148.04 138.15 22.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.8 m -84.29 137.59 33.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.425 HD21 ' HB3' ' A' ' 49' ' ' SER . 61.1 tp -87.88 101.34 13.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.98 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.552 HD11 ' HB2' ' A' ' 58' ' ' GLN . 88.1 mt -68.61 -66.94 0.51 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -135.59 132.26 36.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.425 ' HB3' HD21 ' A' ' 46' ' ' LEU . 60.6 p -106.84 29.69 6.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 26.1 t -41.66 -59.07 1.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.826 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.15 -179.04 6.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.4 mt -109.84 -53.87 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.119 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -74.14 -33.58 63.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 70.3 m95 -113.31 122.58 47.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 14.9 m0 -118.09 143.32 46.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -91.74 113.93 26.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 33.1 m -120.97 172.74 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.552 ' HB2' HD11 ' A' ' 47' ' ' LEU . 6.1 tt0 -134.81 120.51 19.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.535 ' CG ' ' N ' ' A' ' 60' ' ' ARG . 0.6 OUTLIER -63.4 170.13 3.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.535 ' N ' ' CG ' ' A' ' 59' ' ' ASP . 25.7 tpt85 -63.8 -41.5 97.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -68.34 -49.6 59.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 144.32 33.28 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.498 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -107.21 116.88 32.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.724 0.297 . . . . 0.0 110.821 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.483 ' HG2' HD11 ' A' ' 47' ' ' LEU . 4.1 mp0 -109.42 175.56 5.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 153.44 -175.17 31.93 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.526 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -94.38 131.42 40.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.945 0.402 . . . . 0.0 110.876 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.589 HG11 ' HG ' ' A' ' 38' ' ' LEU . 3.7 m -136.7 151.44 72.61 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.61 0.719 . . . . 0.0 111.134 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 105.04 1.42 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.677 2.251 . . . . 0.0 112.367 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 84.6 p -40.77 -30.17 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -49.06 -46.85 45.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.846 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.478 ' CE2' ' HB2' ' A' ' 26' ' ' TYR . 3.6 m-85 -68.35 -41.38 80.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.95 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.401 HD11 HG23 ' A' ' 67' ' ' VAL . 48.7 mt -68.54 143.19 55.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.942 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.407 HG22 ' HB ' ' A' ' 23' ' ' ILE . 2.0 m -142.93 134.13 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -64.61 119.34 10.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.578 ' HB2' HD11 ' A' ' 23' ' ' ILE . 81.1 tttt -62.67 117.37 6.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.47 143.73 97.34 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.636 0.732 . . . . 0.0 110.887 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 -34.41 14.91 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.711 2.274 . . . . 0.0 112.31 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -109.7 156.66 19.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 28.5 t30 65.55 46.01 2.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.2 mp -56.96 117.62 4.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.414 ' CD ' ' H ' ' A' ' 81' ' ' GLU . 1.2 pm0 -99.21 63.56 1.32 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.1 m -95.12 14.41 22.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -55.79 129.72 40.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -126.98 109.85 12.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 14.5 p90 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.939 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.7 p -59.33 -49.8 76.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.91 0.386 . . . . 0.0 110.838 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.6 p -90.36 156.52 18.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.824 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.67 127.62 5.59 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.43 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.1 m -103.22 152.1 21.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.838 0.351 . . . . 0.0 110.834 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -154.92 156.84 36.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.08 40.63 1.62 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.535 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 44.33 42.35 5.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.852 0.358 . . . . 0.0 110.891 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -74.57 128.35 35.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -88.18 -54.3 4.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.31 167.08 21.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.481 ' CD ' ' HD2' ' A' ' 13' ' ' PRO . 9.0 tpp85 -164.55 138.87 4.3 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.589 0.709 . . . . 0.0 110.911 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.481 ' HD2' ' CD ' ' A' ' 12' ' ' ARG . 54.2 Cg_endo -69.73 164.46 34.41 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.655 2.237 . . . . 0.0 112.338 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.3 mp -102.24 -66.17 0.94 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 9.3 m0 -83.5 -63.69 1.31 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -167.34 147.83 4.83 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.611 0.72 . . . . 0.0 110.905 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -49.9 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.717 2.278 . . . . 0.0 112.346 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -68.29 -41.8 80.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -66.0 146.69 54.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 22.5 m -96.79 110.26 22.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.142 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -93.9 121.32 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.0 m -114.03 155.54 15.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.498 HD11 ' HD3' ' A' ' 75' ' ' LYS . 32.7 mt -121.57 145.03 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.171 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.74 148.05 24.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.856 HD21 HG11 ' A' ' 73' ' ' VAL . 15.7 mt -94.93 -34.26 12.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.564 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 4.1 m-85 -131.17 149.46 52.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -72.72 92.61 1.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -71.15 150.35 45.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -132.27 150.08 52.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.914 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.6 t -166.96 141.59 3.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.105 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -112.73 42.56 1.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -134.33 144.13 49.83 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.586 0.708 . . . . 0.0 110.873 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -19.26 36.05 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.619 2.212 . . . . 0.0 112.349 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -83.94 -16.15 45.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -115.39 162.6 16.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.471 ' HG ' ' N ' ' A' ' 37' ' ' ALA . 23.7 tp -123.47 156.74 34.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.471 ' N ' ' HG ' ' A' ' 36' ' ' LEU . . . -102.78 102.84 13.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.427 ' HG ' HG11 ' A' ' 67' ' ' VAL . 41.2 mt -69.54 154.26 42.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -110.97 140.03 45.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.845 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 17.6 ttp180 -62.74 127.39 31.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 35.3 m-20 60.03 52.23 5.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.868 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -136.36 137.47 40.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.492 ' O ' ' CD1' ' A' ' 44' ' ' TYR . 74.3 mt-10 -79.96 157.62 26.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.492 ' CD1' ' O ' ' A' ' 43' ' ' GLU . 36.1 m-85 -150.11 150.87 32.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.893 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 50.9 t -94.92 120.55 35.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.448 ' HA ' HG12 ' A' ' 57' ' ' VAL . 25.4 tp -76.88 99.21 5.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.71 HD11 ' HB2' ' A' ' 58' ' ' GLN . 11.5 mt -67.52 -63.81 0.98 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -134.33 148.6 50.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 91.2 p -123.8 38.66 4.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.2 t -47.61 -52.73 16.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -94.48 -178.02 4.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 52.4 mt -112.85 -46.81 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -74.17 -31.57 62.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.82 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -119.98 117.21 27.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 9.3 m0 -110.69 146.91 35.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 34.9 ttt85 -101.59 113.13 25.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.448 HG12 ' HA ' ' A' ' 46' ' ' LEU . 11.0 m -125.44 170.89 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.163 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.71 ' HB2' HD11 ' A' ' 47' ' ' LEU . 20.4 tt0 -123.75 115.88 22.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.439 ' OD1' HD11 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -58.49 168.89 1.01 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 47.4 ptt85 -64.18 -18.72 64.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -77.39 -40.28 44.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.86 -4.05 5.7 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.533 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -85.08 165.7 17.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.784 0.326 . . . . 0.0 110.843 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.406 ' HG2' HD11 ' A' ' 47' ' ' LEU . 10.2 mt-10 -140.13 176.03 9.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 165.86 170.3 30.6 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.485 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -85.0 106.87 16.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.872 0.368 . . . . 0.0 110.899 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.427 HG11 ' HG ' ' A' ' 38' ' ' LEU . 7.3 m -111.67 153.37 44.35 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.642 0.734 . . . . 0.0 111.078 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 115.53 4.14 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.712 2.274 . . . . 0.0 112.361 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 75.5 p -51.37 -34.48 34.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.6 p -49.6 -42.08 43.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 26' ' ' TYR . 3.1 m-85 -70.32 -45.23 66.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.917 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 96.2 mt -69.58 138.44 53.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.856 HG11 HD21 ' A' ' 25' ' ' LEU . 2.2 m -131.51 145.24 35.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -71.4 110.72 6.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.498 ' HD3' HD11 ' A' ' 23' ' ' ILE . 35.0 tptt -47.32 106.1 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.8 m -54.12 145.07 36.4 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.678 0.751 . . . . 0.0 110.861 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -172.44 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.66 2.24 . . . . 0.0 112.357 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -113.06 123.36 50.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 -145.9 146.48 31.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.8 tp 48.34 46.62 20.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -93.55 39.96 1.07 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.1 m -87.84 16.63 5.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -120.85 135.17 55.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -127.49 105.7 8.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 18.7 p-90 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.909 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 t -66.05 113.58 4.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.898 0.38 . . . . 0.0 110.823 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.7 m -132.56 97.18 4.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.95 60.19 0.14 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.493 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -88.38 -59.45 2.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.9 0.381 . . . . 0.0 110.884 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.9 p -71.82 154.52 41.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.847 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.21 82.3 0.39 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.53 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -95.21 111.27 23.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.839 0.352 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -160.65 154.97 23.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.443 ' C ' ' OD1' ' A' ' 10' ' ' ASN . 9.3 t-20 -148.9 115.13 5.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 ptp180 -96.35 166.72 11.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.478 ' CG ' ' HD2' ' A' ' 13' ' ' PRO . 13.5 ttm180 -88.89 140.58 29.33 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.622 0.725 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.478 ' HD2' ' CG ' ' A' ' 12' ' ' ARG . 54.1 Cg_endo -69.73 162.0 43.77 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.373 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.6 mt -99.63 -45.1 5.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 4.8 m95 -66.88 -175.59 0.43 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -101.87 151.68 38.01 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.645 0.736 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -34.07 15.07 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.664 2.243 . . . . 0.0 112.34 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -77.21 -40.43 45.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -53.98 158.22 2.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 61.3 m -100.75 95.84 6.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.183 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.7 t -97.6 138.83 21.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.815 ' CG2' HD22 ' A' ' 72' ' ' LEU . 16.5 m -124.39 170.71 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.437 HD11 ' CD ' ' A' ' 75' ' ' LYS . 13.7 mt -135.64 145.1 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.099 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 39' ' ' ARG . . . -89.67 125.36 35.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.043 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.1 mt -76.21 -28.45 57.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.941 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -135.16 155.53 50.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.442 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 7.8 p-10 -81.74 93.45 6.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.543 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 88.2 t80 -77.18 145.01 37.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -124.47 139.29 54.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.945 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.435 HG23 ' O ' ' A' ' 30' ' ' THR . 5.2 t -159.21 117.6 2.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.159 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -89.39 40.88 1.01 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -118.42 147.67 42.35 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.6 0.714 . . . . 0.0 110.899 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -43.74 2.49 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.704 2.269 . . . . 0.0 112.348 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -70.98 -31.17 67.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -91.08 163.99 14.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.9 tp -134.87 143.98 47.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -88.96 101.97 14.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.067 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.541 ' HG ' HG11 ' A' ' 67' ' ' VAL . 11.8 mt -64.48 143.03 58.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.952 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.545 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 11.2 tpt180 -99.69 139.28 35.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.423 ' HB3' ' NH1' ' A' ' 40' ' ' ARG . 10.8 ttp-105 -63.47 147.42 51.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.1 p30 42.15 49.54 4.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -135.2 140.6 45.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.466 ' O ' ' CD2' ' A' ' 44' ' ' TYR . 35.1 mt-10 -77.82 162.89 26.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.466 ' CD2' ' O ' ' A' ' 43' ' ' GLU . 59.2 m-85 -158.18 127.95 5.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.967 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 21.4 t -81.37 119.17 23.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.612 HD12 HG12 ' A' ' 57' ' ' VAL . 23.6 tp -70.65 126.02 28.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.487 HD11 ' HB2' ' A' ' 58' ' ' GLN . 63.9 mt -93.16 -58.21 2.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.43 147.97 37.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.3 p -123.79 33.62 5.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.2 t -52.59 -37.64 58.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -100.95 178.6 4.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 65.6 mt -110.43 -60.41 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.184 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -63.56 -46.77 84.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 67.9 m95 -103.34 112.82 25.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 11.8 m0 -105.55 141.4 37.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.922 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 38.5 ttt-85 -94.27 123.7 37.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.612 HG12 HD12 ' A' ' 46' ' ' LEU . 4.5 m -139.92 173.32 10.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.487 ' HB2' HD11 ' A' ' 47' ' ' LEU . 30.2 tt0 -131.21 135.21 47.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -78.28 171.68 14.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.0 -30.37 67.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -71.12 -42.22 69.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 133.56 28.16 0.53 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.512 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.457 ' CD2' ' N ' ' A' ' 63' ' ' HIS . 2.9 m170 -107.89 167.28 10.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.764 0.316 . . . . 0.0 110.831 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -162.74 168.8 20.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 162.24 170.52 27.14 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.469 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -75.99 115.4 15.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.94 0.4 . . . . 0.0 110.939 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.541 HG11 ' HG ' ' A' ' 38' ' ' LEU . 4.6 m -126.15 153.88 74.26 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.584 0.707 . . . . 0.0 111.136 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 112.49 3.09 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.709 2.273 . . . . 0.0 112.352 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.9 p -48.09 -23.48 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.6 m -55.64 -43.24 76.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.543 ' CE2' ' HB2' ' A' ' 28' ' ' TYR . 3.1 m-85 -68.96 -43.64 74.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.815 HD22 ' CG2' ' A' ' 22' ' ' VAL . 98.6 mt -67.71 149.1 50.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.0 m -148.47 135.02 12.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.161 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -65.0 119.24 10.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.437 ' CD ' HD11 ' A' ' 23' ' ' ILE . 14.1 tptp -42.26 115.36 0.68 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.3 m -118.06 83.02 18.53 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.635 0.731 . . . . 0.0 110.839 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -34.31 14.75 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.686 2.257 . . . . 0.0 112.325 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -39.84 -55.6 1.94 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -165.44 162.25 19.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.514 ' H ' HD12 ' A' ' 80' ' ' LEU . 4.9 mp -78.23 130.92 36.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -88.09 44.43 1.2 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.959 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.415 HG22 ' N ' ' A' ' 83' ' ' TYR . 33.2 m -76.71 154.32 34.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.149 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . 0.415 ' N ' HG22 ' A' ' 82' ' ' THR . 4.0 t80 -66.7 176.35 2.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.961 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -146.51 107.96 4.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 7.6 t-105 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.973 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.429 -0.269 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -85.78 126.35 33.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.85 0.357 . . . . 0.0 110.85 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 t -81.51 -51.36 8.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.13 -176.81 17.38 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.501 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.6 p -131.27 122.87 27.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.376 . . . . 0.0 110.863 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.4 p -135.15 157.86 45.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.843 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.39 96.23 0.12 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.83 170.3 16.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.858 0.361 . . . . 0.0 110.866 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -106.53 -59.1 1.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -152.29 144.39 23.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -82.48 43.42 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.463 ' CD ' ' HD2' ' A' ' 13' ' ' PRO . 13.6 tpp180 -156.77 138.91 10.24 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.571 0.7 . . . . 0.0 110.851 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.463 ' HD2' ' CD ' ' A' ' 12' ' ' ARG . 53.6 Cg_endo -69.77 166.83 26.27 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.641 2.227 . . . . 0.0 112.367 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.4 mt -71.71 -52.93 15.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.498 ' HB3' HG21 ' A' ' 21' ' ' VAL . 20.6 m95 -95.94 -175.65 3.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -119.41 151.97 52.11 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.599 0.714 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -27.78 26.06 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.672 2.248 . . . . 0.0 112.328 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -64.8 -36.11 83.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -88.34 144.74 26.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.7 m -82.31 93.61 7.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.152 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.498 HG21 ' HB3' ' A' ' 15' ' ' TRP . 93.2 t -97.1 122.61 48.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.152 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.7 m -110.71 164.07 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.424 ' HB ' HG22 ' A' ' 73' ' ' VAL . 15.8 mt -128.33 148.56 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -93.97 129.8 40.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.103 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.479 HD21 HG11 ' A' ' 73' ' ' VAL . 8.7 mt -77.49 -38.77 48.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.42 ' CD1' ' HB2' ' A' ' 25' ' ' LEU . 1.3 m-85 -127.84 158.77 36.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -79.59 104.24 10.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.924 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 33.8 t80 -85.07 160.08 20.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -157.17 144.19 18.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.939 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.62 HG21 ' HB3' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -139.74 164.37 30.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.18 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -103.09 -8.57 20.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -101.88 149.76 36.79 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.656 0.741 . . . . 0.0 110.816 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -46.7 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.679 2.253 . . . . 0.0 112.294 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -46.04 -45.77 16.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.62 ' HB3' HG21 ' A' ' 30' ' ' THR . 2.8 mp0 -80.76 151.39 28.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.8 tp -113.07 145.96 39.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.77 100.31 12.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.675 ' HG ' HG11 ' A' ' 67' ' ' VAL . 79.8 mt -62.08 157.31 19.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.936 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -116.4 134.17 55.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 32.5 ttp180 -59.93 130.62 47.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.7 m120 63.28 53.69 2.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -146.64 128.54 15.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.57 ' O ' ' CD1' ' A' ' 44' ' ' TYR . 4.7 mp0 -74.4 166.71 23.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.57 ' CD1' ' O ' ' A' ' 43' ' ' GLU . 71.9 m-85 -156.89 138.4 13.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.959 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 2.4 t -86.43 112.64 21.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.567 HD12 HG12 ' A' ' 57' ' ' VAL . 48.6 tp -61.86 134.26 56.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.466 HD11 ' HB2' ' A' ' 58' ' ' GLN . 98.0 mt -102.34 -63.97 1.11 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -137.41 148.24 46.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.9 p -122.3 46.38 2.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.4 t -62.78 -49.3 75.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.854 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -92.29 165.81 12.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 37.1 mt -94.85 -57.46 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 46.4 m-70 -68.89 -37.4 78.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 75.3 m95 -107.52 124.79 50.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -117.76 140.54 49.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -93.67 111.53 23.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.567 HG12 HD12 ' A' ' 46' ' ' LEU . 11.4 m -130.38 169.14 21.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.466 ' HB2' HD11 ' A' ' 47' ' ' LEU . 16.3 tt0 -124.46 151.09 44.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.458 ' CG ' ' N ' ' A' ' 60' ' ' ARG . 3.7 t70 -90.12 167.23 12.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.458 ' N ' ' CG ' ' A' ' 59' ' ' ASP . 34.5 ttt180 -59.28 -38.02 79.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 25.5 m120 -70.51 -45.84 64.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 138.97 31.5 0.2 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.487 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -114.01 120.91 42.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.727 0.299 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -119.7 173.04 7.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 166.69 -161.59 35.34 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.488 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -102.21 123.69 46.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.891 0.376 . . . . 0.0 110.952 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.675 HG11 ' HG ' ' A' ' 38' ' ' LEU . 10.9 m -136.12 151.94 74.49 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.631 0.729 . . . . 0.0 111.122 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 113.87 3.51 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.72 2.28 . . . . 0.0 112.348 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 96.6 p -44.77 -36.27 3.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.869 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 73.4 m -43.91 -45.32 7.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.879 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -69.78 -42.65 73.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.931 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 89.2 mt -68.77 142.32 54.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.479 HG11 HD21 ' A' ' 25' ' ' LEU . 2.8 m -137.54 135.99 46.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.149 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -64.8 109.05 1.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -52.37 122.68 9.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.78 82.25 2.9 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.693 0.758 . . . . 0.0 110.866 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -29.92 23.09 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.668 2.245 . . . . 0.0 112.358 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -45.1 -43.47 9.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -135.92 121.55 19.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.82 111.31 23.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -124.13 50.74 1.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.9 p -147.35 170.47 17.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.17 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -149.5 145.49 26.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -116.08 94.67 4.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 10.3 p-90 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.949 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.9 p -170.82 170.94 6.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.872 0.368 . . . . 0.0 110.848 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.5 m -81.35 -54.89 5.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 108.76 67.24 0.6 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.513 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 4' ' ' GLY . 34.7 t -35.95 122.89 0.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.903 0.382 . . . . 0.0 110.872 -179.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.1 t -112.19 167.8 10.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.415 ' C ' ' OE1' ' A' ' 8' ' ' GLU . . . 139.82 133.81 3.05 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.461 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.415 ' OE1' ' C ' ' A' ' 7' ' ' GLY . 8.2 mp0 -134.86 122.52 22.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.904 0.383 . . . . 0.0 110.866 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -67.64 89.29 0.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -67.5 82.66 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.9 mmt85 -122.07 147.07 46.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.466 ' CG ' ' HD2' ' A' ' 13' ' ' PRO . 38.5 ttp180 -96.78 139.71 21.74 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.642 0.734 . . . . 0.0 110.851 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.466 ' HD2' ' CG ' ' A' ' 12' ' ' ARG . 53.4 Cg_endo -69.75 155.54 65.71 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.731 2.288 . . . . 0.0 112.281 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 mp -63.29 -36.2 82.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.49 ' N ' ' CD1' ' A' ' 15' ' ' TRP . 1.2 m95 -110.93 172.59 6.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -77.06 144.87 72.58 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.652 0.739 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -35.95 11.59 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.678 2.252 . . . . 0.0 112.282 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.71 -13.11 60.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -85.29 145.64 27.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.2 m -83.69 100.76 11.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.174 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.546 HG11 ' OE2' ' A' ' 43' ' ' GLU . 59.1 t -90.12 132.58 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.14 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.6 m -126.54 144.5 36.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 15.7 mt -113.56 144.79 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.46 128.39 35.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.096 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.544 HD21 HG11 ' A' ' 73' ' ' VAL . 10.2 mt -71.39 -36.31 71.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.493 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 4.2 m-85 -126.38 177.19 6.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -96.63 108.49 21.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.9 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -91.59 138.52 31.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -128.84 140.03 51.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.943 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 6.9 t -155.11 152.0 28.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -118.22 29.41 7.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -115.71 144.0 31.74 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.64 0.733 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -28.35 25.29 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.688 2.259 . . . . 0.0 112.373 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -78.58 -36.28 44.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -91.06 140.52 29.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.935 HD21 ' OD1' ' A' ' 59' ' ' ASP . 58.5 tp -101.22 149.95 23.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -98.98 122.93 42.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.1 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.434 ' HG ' HG11 ' A' ' 67' ' ' VAL . 46.9 mt -91.33 178.29 6.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -139.35 138.62 36.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -66.36 122.4 17.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 72.75 47.33 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -140.14 140.87 36.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.546 ' OE2' HG11 ' A' ' 21' ' ' VAL . 34.7 mt-10 -85.0 152.94 23.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.456 ' CD1' ' C ' ' A' ' 43' ' ' GLU . 60.5 m-85 -151.41 127.76 10.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 2.4 t -73.43 137.21 44.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.51 ' HA ' HG12 ' A' ' 57' ' ' VAL . 39.8 tp -88.14 108.64 19.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.648 HD11 ' HG2' ' A' ' 64' ' ' GLU . 70.2 mt -68.94 -69.23 0.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -129.29 160.65 32.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 90.5 p -128.47 34.18 4.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 64.4 p -47.07 -43.97 20.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.857 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -107.19 -177.32 3.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 85.9 mt -110.9 -55.89 4.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -68.95 -37.36 78.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 69.3 m95 -114.12 107.81 16.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -104.0 157.34 17.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 42.6 ttt180 -103.82 119.13 38.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.51 HG12 ' HA ' ' A' ' 46' ' ' LEU . 29.4 m -129.39 177.74 6.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.493 ' HB2' HD11 ' A' ' 47' ' ' LEU . 35.6 tt0 -135.1 112.63 10.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.935 ' OD1' HD21 ' A' ' 36' ' ' LEU . 57.5 m-20 -58.75 148.6 29.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.87 -18.67 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -78.8 -49.31 13.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 135.53 29.55 0.37 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.493 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.446 ' O ' HD13 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -119.7 123.49 43.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.771 0.319 . . . . 0.0 110.862 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.648 ' HG2' HD11 ' A' ' 47' ' ' LEU . 3.7 mt-10 -105.87 169.09 8.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 168.49 -164.95 38.47 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -107.06 124.02 49.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.906 0.384 . . . . 0.0 110.97 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.434 HG11 ' HG ' ' A' ' 38' ' ' LEU . 1.6 m -130.76 154.28 81.8 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.602 0.715 . . . . 0.0 111.165 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 109.54 2.34 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.656 2.238 . . . . 0.0 112.311 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 47.4 p -43.59 -33.82 1.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 40.1 t -44.69 -52.61 8.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.85 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.493 ' CE2' ' HB2' ' A' ' 26' ' ' TYR . 3.4 m-85 -61.07 -44.71 96.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.38 150.68 47.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.544 HG11 HD21 ' A' ' 25' ' ' LEU . 2.0 m -148.6 131.84 7.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -67.17 111.94 4.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.5 tptt -47.07 120.49 3.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 90.6 p -51.52 144.13 18.08 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.706 0.765 . . . . 0.0 110.839 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -26.47 27.44 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.699 2.266 . . . . 0.0 112.314 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -100.72 133.47 45.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -108.49 137.49 46.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.6 mt -114.86 172.53 6.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.957 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 59.29 42.84 17.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 61.0 m -53.48 146.56 12.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -107.75 95.16 5.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -125.89 94.19 4.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 4.3 t-105 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.2 m -147.65 150.69 34.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.868 0.366 . . . . 0.0 110.828 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 t -148.11 172.8 13.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.56 112.88 0.84 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.453 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.1 t -126.46 86.3 2.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.896 0.379 . . . . 0.0 110.81 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.3 m -124.4 116.85 23.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.57 -102.64 1.57 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.479 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -88.77 121.65 31.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 0.0 110.9 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.3 p-10 -72.97 -55.4 6.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.83 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.541 ' ND2' ' NH1' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -160.29 149.83 17.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.482 ' HB2' ' ND2' ' A' ' 79' ' ' ASN . 4.2 ptp180 -143.03 142.61 31.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.828 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.541 ' NH1' ' ND2' ' A' ' 10' ' ' ASN . 52.5 mtm-85 -131.01 149.15 72.93 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.577 0.703 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 140.48 42.84 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.636 2.224 . . . . 0.0 112.365 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.432 HD22 ' HE2' ' A' ' 75' ' ' LYS . 6.7 mp -72.98 -51.86 16.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.458 ' NE1' ' OE1' ' A' ' 43' ' ' GLU . 16.8 m95 -104.75 -63.9 1.17 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -161.67 146.48 10.15 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.62 0.724 . . . . 0.0 110.907 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -34.3 14.97 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.698 2.266 . . . . 0.0 112.353 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -106.34 46.84 0.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -142.83 152.46 42.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.8 m -103.28 110.45 22.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 92.0 t -105.31 130.31 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.13 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.401 HG21 HD13 ' A' ' 72' ' ' LEU . 28.8 m -118.47 164.23 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.191 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.3 mt -134.52 142.1 41.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 39' ' ' ARG . . . -88.84 128.57 35.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.4 mt -72.69 -36.06 67.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -124.97 152.54 44.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.957 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -77.52 94.96 4.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -77.46 135.62 38.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -114.87 127.06 55.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.671 ' O ' HG23 ' A' ' 30' ' ' THR . 12.0 t -171.05 110.96 0.35 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.2 p30 -97.77 34.71 1.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.428 ' CG ' ' H ' ' A' ' 35' ' ' GLU . 58.8 p-10 -96.11 146.29 31.06 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.612 0.72 . . . . 0.0 110.872 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -10.77 29.36 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.679 2.253 . . . . 0.0 112.37 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -92.77 -42.86 9.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.428 ' H ' ' CG ' ' A' ' 32' ' ' ASP . 37.1 mt-10 -111.17 164.62 12.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.3 tp -118.32 147.46 43.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.68 103.21 13.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.581 ' HG ' HG11 ' A' ' 67' ' ' VAL . 41.5 mt -75.0 150.21 39.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.476 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -107.01 147.55 29.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.476 ' N ' ' HD3' ' A' ' 39' ' ' ARG . 41.9 ttt180 -62.2 140.94 58.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 38.72 50.39 1.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.583 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 13.5 tp10 -122.98 146.34 47.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.458 ' OE1' ' NE1' ' A' ' 15' ' ' TRP . 30.3 mt-10 -82.24 151.29 26.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.583 ' CE2' ' HG3' ' A' ' 42' ' ' GLU . 58.8 m-85 -152.04 129.22 11.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 2.4 p -83.08 117.91 23.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.53 HD12 ' O ' ' A' ' 56' ' ' ARG . 48.5 tp -69.04 130.56 43.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.713 HD11 ' HB2' ' A' ' 58' ' ' GLN . 71.4 mt -96.84 -60.61 1.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -149.74 126.78 11.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.804 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.6 m -105.76 37.31 2.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 m -42.6 -41.42 3.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -97.64 -177.04 3.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 72.4 mt -109.39 -52.25 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.105 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -72.25 -38.85 68.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 52.7 m95 -109.06 115.27 29.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 8.7 m0 -110.9 131.0 55.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.952 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.53 ' O ' HD12 ' A' ' 46' ' ' LEU . 25.0 ttp180 -82.31 116.56 21.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.843 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 19.2 m -127.54 172.69 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.713 ' HB2' HD11 ' A' ' 47' ' ' LEU . 14.6 tt0 -137.68 138.85 39.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -78.29 162.23 26.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -59.27 -28.37 66.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -79.7 -50.25 10.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 145.93 34.5 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.518 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -109.81 119.14 38.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.485 ' HG2' HD11 ' A' ' 47' ' ' LEU . 3.6 mt-10 -110.81 179.32 4.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 147.78 167.66 13.54 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.469 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -85.57 136.51 33.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.899 0.381 . . . . 0.0 110.929 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.581 HG11 ' HG ' ' A' ' 38' ' ' LEU . 3.4 m -144.72 155.3 56.37 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.599 0.714 . . . . 0.0 111.15 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 109.82 2.4 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 83.5 p -42.64 -37.32 1.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.787 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.3 p -41.66 -44.2 3.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -68.96 -45.17 71.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.401 HD13 HG21 ' A' ' 22' ' ' VAL . 66.9 mt -68.75 148.89 49.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.4 m -145.04 133.35 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -63.98 110.24 2.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.432 ' HE2' HD22 ' A' ' 14' ' ' LEU . 40.5 tttp -54.48 121.67 8.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.5 m -61.13 154.68 60.17 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.696 0.76 . . . . 0.0 110.828 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -7.42 21.01 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.742 2.294 . . . . 0.0 112.33 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -48.42 152.92 0.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.482 ' ND2' ' HB2' ' A' ' 11' ' ' ARG . 27.3 t-20 -121.28 131.48 54.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.455 ' C ' HD12 ' A' ' 80' ' ' LEU . 4.7 pp -133.1 168.6 18.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -76.19 94.9 3.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.8 t -101.74 144.37 30.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -67.85 155.04 40.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -103.99 42.36 1.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 12.2 t-105 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.94 -179.974 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -96.31 -50.96 4.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.932 0.396 . . . . 0.0 110.82 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.4 p -85.66 152.97 22.68 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.99 43.71 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.468 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.3 m -112.29 82.02 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.351 . . . . 0.0 110.836 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 t -42.61 -55.28 3.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.25 70.49 1.05 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.49 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -101.31 90.03 3.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 110.871 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.07 97.86 5.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.85 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -95.74 41.09 1.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.8 ttm-85 -73.69 162.88 28.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.4 mmt180 -124.33 155.02 69.08 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.6 0.714 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 157.67 59.6 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.689 2.259 . . . . 0.0 112.353 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.7 mt -65.58 -50.1 66.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.414 ' HB3' ' CD ' ' A' ' 19' ' ' GLU . 1.0 OUTLIER -82.2 172.13 13.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.908 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -100.43 157.53 33.61 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.615 0.721 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -11.51 30.9 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.658 2.239 . . . . 0.0 112.32 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 19' ' ' GLU . 18.0 pt-20 -84.12 -46.07 12.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.438 ' N ' ' HG3' ' A' ' 18' ' ' GLU . 3.5 pt-20 -68.85 132.97 47.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 50.5 m -70.64 93.5 0.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.134 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.535 HG13 ' HB3' ' A' ' 43' ' ' GLU . 63.9 t -84.64 120.79 35.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.609 HG21 HD13 ' A' ' 72' ' ' LEU . 15.8 m -113.68 152.76 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.523 ' N ' HD12 ' A' ' 23' ' ' ILE . 2.8 mp -118.8 144.77 26.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.47 133.26 35.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.67 HD21 HG11 ' A' ' 73' ' ' VAL . 7.4 mt -80.92 -31.06 35.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.409 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 1.7 m-85 -136.99 157.06 47.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -78.14 107.14 10.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -87.63 141.75 28.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -141.7 123.74 15.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.452 HG21 ' CB ' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -113.0 157.77 21.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.152 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -94.94 -11.22 28.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.955 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -103.8 150.35 38.1 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.619 0.723 . . . . 0.0 110.865 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -43.92 2.39 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.684 2.256 . . . . 0.0 112.34 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -46.1 -44.28 15.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.935 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.452 ' CB ' HG21 ' A' ' 30' ' ' THR . 2.4 mp0 -85.0 145.41 27.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.468 ' HG ' ' N ' ' A' ' 37' ' ' ALA . 6.2 tp -101.78 150.01 23.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.98 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.468 ' N ' ' HG ' ' A' ' 36' ' ' LEU . . . -98.09 103.51 15.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.084 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.709 ' HG ' HG11 ' A' ' 67' ' ' VAL . 37.0 mt -64.87 162.36 16.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.909 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.8 tpp180 -119.62 144.5 47.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.6 ttp85 -67.79 133.67 49.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 60.31 51.25 5.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.507 ' OE2' ' CZ2' ' A' ' 85' ' ' TRP . 18.2 mm-40 -140.03 143.25 36.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.535 ' HB3' HG13 ' A' ' 21' ' ' VAL . 17.6 mp0 -92.74 157.18 16.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.502 ' CD1' ' C ' ' A' ' 43' ' ' GLU . 26.7 m-85 -148.31 147.22 29.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.943 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 53.9 t -89.96 119.19 30.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.683 ' HA ' HG12 ' A' ' 57' ' ' VAL . 57.9 tp -72.14 119.5 16.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.721 HD11 ' HB2' ' A' ' 58' ' ' GLN . 10.5 mt -92.9 -66.5 0.92 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -132.7 119.64 20.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.815 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 88.7 p -101.85 29.18 5.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 55.6 m -40.47 -57.73 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -81.55 -179.2 7.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 80.8 mt -112.42 -49.23 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -77.9 -32.23 51.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 80.8 m95 -116.07 108.07 15.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 14.6 m0 -104.91 144.01 32.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 45.6 ttt180 -100.4 113.37 26.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.683 HG12 ' HA ' ' A' ' 46' ' ' LEU . 18.0 m -131.81 166.91 27.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.096 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.721 ' HB2' HD11 ' A' ' 47' ' ' LEU . 13.6 tt0 -119.14 127.9 53.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.28 -179.05 2.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.435 ' NH1' ' CG ' ' A' ' 85' ' ' TRP . 32.5 ptt180 -72.5 -23.69 61.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -71.6 -40.95 69.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 126.82 9.37 4.34 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.518 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -98.93 169.06 9.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.77 0.319 . . . . 0.0 110.884 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -142.93 173.02 11.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 168.13 154.84 9.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.509 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -70.48 100.93 1.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 0.0 110.931 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.709 HG11 ' HG ' ' A' ' 38' ' ' LEU . 3.3 m -105.47 150.72 39.31 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.614 0.721 . . . . 0.0 111.117 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 104.1 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.653 2.236 . . . . 0.0 112.337 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 70' ' ' SER . 60.8 p -39.57 -45.62 1.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 69' ' ' SER . 37.5 m -36.38 -48.29 0.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.409 ' CE2' ' HB2' ' A' ' 26' ' ' TYR . 2.8 m-85 -64.69 -45.87 84.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.953 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.609 HD13 HG21 ' A' ' 22' ' ' VAL . 65.0 mt -69.93 140.87 53.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.67 HG11 HD21 ' A' ' 25' ' ' LEU . 3.9 m -132.46 137.17 54.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.14 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -67.6 111.31 4.11 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.445 ' NZ ' ' O ' ' A' ' 79' ' ' ASN . 0.0 OUTLIER -41.68 105.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.929 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 96.0 p -70.03 136.78 87.15 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.598 0.713 . . . . 0.0 110.883 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -14.45 35.94 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.654 2.236 . . . . 0.0 112.296 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -48.82 -65.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.445 ' O ' ' NZ ' ' A' ' 75' ' ' LYS . 13.0 t30 -128.64 123.44 33.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' ' 80' ' ' LEU . 3.5 mm? -86.52 124.1 32.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -116.73 98.34 6.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 93.4 m -94.16 141.66 28.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -135.53 123.69 23.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -109.25 98.94 8.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.507 ' CZ2' ' OE2' ' A' ' 42' ' ' GLU . 95.7 m95 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.7 m -116.1 110.28 18.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.818 0.342 . . . . 0.0 110.876 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -152.66 113.9 4.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.99 120.14 5.07 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -128.73 42.19 3.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.854 0.359 . . . . 0.0 110.836 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.2 m -99.15 120.8 40.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.807 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.63 64.66 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.51 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -122.14 109.06 14.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.348 . . . . 0.0 110.872 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -172.34 127.56 0.55 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.86 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -86.28 119.39 26.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.427 ' C ' ' HD3' ' A' ' 12' ' ' ARG . 22.2 mmt180 -92.55 167.6 11.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.842 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.536 HH11 ' N ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -118.86 152.6 51.82 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.631 0.729 . . . . 0.0 110.844 -179.892 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 158.29 57.41 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.683 2.255 . . . . 0.0 112.333 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.7 mt -83.39 -57.32 3.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.53 ' HB2' HG21 ' A' ' 21' ' ' VAL . 1.7 m95 -99.61 177.59 5.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -105.98 154.78 39.27 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.647 0.737 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -20.29 35.15 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.714 2.276 . . . . 0.0 112.348 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -80.74 -43.35 20.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -74.31 134.01 42.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 21.4 m -63.55 115.06 4.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.133 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.53 HG21 ' HB2' ' A' ' 15' ' ' TRP . 88.0 t -118.1 124.91 73.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.084 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.5 m -115.65 166.77 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.425 HD12 ' N ' ' A' ' 23' ' ' ILE . 2.7 mp -132.52 145.86 33.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.143 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -91.57 109.72 21.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.458 HD21 HG11 ' A' ' 73' ' ' VAL . 16.1 mt -55.32 -41.27 72.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -125.88 160.63 29.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -81.01 102.76 10.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.858 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -88.47 142.01 28.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.913 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.449 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 1.7 pp0? -132.25 152.41 51.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.8 t -170.09 141.27 2.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.107 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -112.06 35.51 3.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.75 147.41 34.21 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.605 0.717 . . . . 0.0 110.875 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -24.75 29.36 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.35 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -107.83 34.78 3.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -150.01 169.9 20.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.438 ' HG ' ' N ' ' A' ' 37' ' ' ALA . 12.4 tp -138.67 151.71 47.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.919 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.449 ' HB1' ' HA ' ' A' ' 29' ' ' GLN . . . -103.01 109.43 20.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.621 ' HG ' HG11 ' A' ' 67' ' ' VAL . 91.1 mt -79.0 157.84 28.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.943 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.9 ttt85 -111.65 142.68 43.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.424 ' HB2' ' NH1' ' A' ' 40' ' ' ARG . 22.1 ttm105 -67.33 127.38 32.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 71.36 38.35 1.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -128.76 138.63 52.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -90.36 153.3 20.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.461 ' CD2' ' HA ' ' A' ' 59' ' ' ASP . 57.1 m-85 -143.52 163.45 33.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 2.7 t -105.41 116.08 31.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 24.8 tp -67.23 106.84 2.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.617 HD11 ' HG2' ' A' ' 64' ' ' GLU . 27.3 mt -70.03 -62.46 1.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -145.32 147.75 32.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 45.5 p -112.5 31.33 6.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.1 t -38.92 -47.08 1.39 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -104.45 -179.11 3.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 81.6 mt -108.5 -56.42 4.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.127 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -66.52 -28.42 68.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -121.72 123.97 43.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 19.7 m0 -117.36 148.39 41.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 60.1 ttt180 -98.07 126.32 43.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.3 m -135.41 172.44 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -135.27 108.68 7.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.461 ' HA ' ' CD2' ' A' ' 44' ' ' TYR . 29.5 t70 -47.54 168.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -65.49 -34.38 78.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -73.19 -50.12 24.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 144.67 37.13 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.2 m170 -111.25 120.81 43.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.794 0.331 . . . . 0.0 110.842 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.617 ' HG2' HD11 ' A' ' 47' ' ' LEU . 17.0 mt-10 -108.63 169.03 8.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 159.95 -175.67 36.75 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.528 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -101.08 122.95 44.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.927 0.394 . . . . 0.0 110.913 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.621 HG11 ' HG ' ' A' ' 38' ' ' LEU . 6.6 m -128.01 153.75 78.4 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.646 0.736 . . . . 0.0 111.138 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.413 ' HG2' ' CD1' ' A' ' 71' ' ' TYR . 54.1 Cg_endo -69.69 112.12 2.98 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.708 2.272 . . . . 0.0 112.366 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 81.8 p -44.83 -34.25 2.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 31.8 m -45.59 -40.25 8.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.848 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.413 ' CD1' ' HG2' ' A' ' 68' ' ' PRO . 6.1 m-85 -73.44 -43.2 60.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.989 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 92.2 mt -70.67 142.49 51.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.458 HG11 HD21 ' A' ' 25' ' ' LEU . 2.1 m -141.12 134.77 31.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.128 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -64.7 114.92 4.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 20.2 tptp -43.8 106.21 0.06 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.2 m -45.59 146.08 1.91 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.66 0.743 . . . . 0.0 110.892 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -14.66 36.55 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.671 2.247 . . . . 0.0 112.353 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -109.22 95.97 5.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -59.42 120.88 10.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.3 mp -95.24 141.19 29.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -128.86 92.45 3.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.559 ' O ' HG22 ' A' ' 82' ' ' THR . 11.2 m -83.98 23.96 0.97 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.112 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -126.08 88.02 2.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.406 ' CG ' ' O ' ' A' ' 84' ' ' GLU . 7.1 pt-20 -87.31 93.83 9.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.879 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 9.8 m95 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.971 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.3 m -156.89 156.92 33.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.373 . . . . 0.0 110.861 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.9 m -124.37 146.85 48.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.92 56.45 0.71 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.8 t -83.37 87.36 6.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.878 0.371 . . . . 0.0 110.813 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.1 m -149.46 133.84 17.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.43 -82.25 0.89 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.456 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -100.34 43.16 1.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.896 0.379 . . . . 0.0 110.912 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 63.61 33.29 13.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 58.72 46.06 14.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -122.24 152.06 40.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.471 ' CG ' ' HD2' ' A' ' 13' ' ' PRO . 34.5 ttp180 -167.12 139.4 2.77 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.583 0.706 . . . . 0.0 110.865 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.471 ' HD2' ' CG ' ' A' ' 12' ' ' ARG . 54.0 Cg_endo -69.75 172.41 12.67 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.667 2.244 . . . . 0.0 112.341 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.2 mp -104.78 -53.42 2.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.6 m95 -100.44 -176.28 3.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -118.26 149.14 45.25 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.654 0.74 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -3.8 12.71 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.681 2.254 . . . . 0.0 112.371 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -95.69 -36.83 11.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -76.64 149.35 36.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.3 m -82.6 103.22 11.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.167 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 75.7 t -99.84 144.06 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.127 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.456 HG12 ' HA ' ' A' ' 74' ' ' GLU . 4.3 m -138.7 139.29 41.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.099 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.85 HD11 ' HG2' ' A' ' 75' ' ' LYS . 3.2 mp -104.12 146.0 12.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 39' ' ' ARG . . . -89.57 124.83 34.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.078 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.628 HD21 HG11 ' A' ' 73' ' ' VAL . 11.3 mt -67.45 -33.31 74.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.964 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -132.06 171.7 13.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.47 71.9 3.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.859 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -43.89 147.92 0.44 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -119.97 128.94 54.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.466 HG23 ' O ' ' A' ' 30' ' ' THR . 5.2 t -169.33 114.67 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -100.44 37.58 1.66 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.446 ' OD2' ' CD ' ' A' ' 35' ' ' GLU . 42.6 p30 -106.77 143.91 27.99 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.574 0.702 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -8.76 24.42 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.648 2.232 . . . . 0.0 112.33 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.6 mp0 -94.18 -43.24 8.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.446 ' CD ' ' OD2' ' A' ' 32' ' ' ASP . 11.7 mt-10 -107.23 153.99 21.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.528 HD11 ' HB2' ' A' ' 63' ' ' HIS . 6.0 tp -108.49 152.17 25.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.47 ' N ' ' HG ' ' A' ' 36' ' ' LEU . . . -93.52 100.42 12.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.134 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.786 ' HG ' HG11 ' A' ' 67' ' ' VAL . 36.1 mt -61.59 162.52 8.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' A' ' 40' ' ' ARG . 15.2 tpt180 -123.01 145.29 48.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.421 ' N ' ' HG3' ' A' ' 39' ' ' ARG . 32.7 ttt180 -65.1 129.63 40.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 63.17 41.89 7.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -128.77 130.95 47.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -82.2 158.93 23.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.418 ' CE2' ' OD1' ' A' ' 59' ' ' ASP . 75.8 m-85 -151.8 129.09 11.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.7 p -72.75 131.06 41.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.417 ' HA ' HG12 ' A' ' 57' ' ' VAL . 48.7 tp -78.74 105.79 10.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 43.5 mt -76.71 -69.14 0.53 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.873 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -137.26 130.34 30.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 83.0 p -106.93 31.84 5.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.835 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.2 t -43.47 -48.49 7.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -88.95 179.48 6.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 69.6 mt -109.49 -53.71 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.137 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -76.03 -26.97 57.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 59.5 m95 -117.58 122.03 42.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 20.0 m0 -117.97 143.93 45.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.94 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 -96.2 118.53 32.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.417 HG12 ' HA ' ' A' ' 46' ' ' LEU . 17.7 m -133.93 166.31 29.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.165 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -119.91 140.54 50.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.418 ' OD1' ' CE2' ' A' ' 44' ' ' TYR . 13.9 t70 -77.01 166.22 23.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -71.53 -4.45 26.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 55.5 m-20 -109.04 -37.85 5.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 135.6 42.38 0.12 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.508 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.528 ' HB2' HD11 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -123.32 119.48 30.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.708 0.29 . . . . 0.0 110.871 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -111.04 169.28 8.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 158.49 162.64 12.03 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.533 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -81.85 117.26 21.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.915 0.388 . . . . 0.0 110.932 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.786 HG11 ' HG ' ' A' ' 38' ' ' LEU . 0.8 OUTLIER -121.47 157.1 57.25 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.626 0.727 . . . . 0.0 111.144 179.873 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 69' ' ' SER . 54.0 Cg_endo -69.76 102.28 1.01 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.669 2.246 . . . . 0.0 112.376 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 68' ' ' PRO . 96.1 p -36.88 -34.75 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 35.7 m -44.34 -50.05 9.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -64.67 -45.14 87.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.454 HD22 HG23 ' A' ' 22' ' ' VAL . 92.8 mt -69.51 131.89 45.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.947 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.628 HG11 HD21 ' A' ' 25' ' ' LEU . 2.1 m -122.23 135.17 63.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.456 ' HA ' HG12 ' A' ' 22' ' ' VAL . 7.2 tt0 -50.82 110.85 0.46 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.85 ' HG2' HD11 ' A' ' 23' ' ' ILE . 8.2 tmtm? -67.18 122.9 18.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.8 p -157.35 146.91 15.21 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.652 0.739 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -23.57 30.62 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.647 2.232 . . . . 0.0 112.375 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -160.26 130.52 5.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -41.31 140.3 0.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.504 ' O ' HD12 ' A' ' 80' ' ' LEU . 4.2 pp -57.08 153.94 10.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -127.72 81.02 1.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 63.5 p -140.27 110.5 6.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.159 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -137.57 126.48 24.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -110.62 87.84 2.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.849 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 5.2 p90 . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.898 -179.976 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.3 t -134.26 124.81 26.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.881 0.372 . . . . 0.0 110.821 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.4 t -78.25 110.37 13.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.63 152.67 29.52 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.476 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.8 p -163.75 148.96 10.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.848 0.356 . . . . 0.0 110.884 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.3 m -79.5 106.92 11.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.13 122.13 5.9 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.486 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -169.49 127.1 0.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 110.904 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -92.91 157.01 16.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -131.69 154.08 49.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -83.09 136.93 34.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -68.7 158.34 85.93 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.616 0.722 . . . . 0.0 110.848 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 155.2 66.46 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.626 2.217 . . . . 0.0 112.379 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.3 mp -77.2 -46.96 21.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.952 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.449 ' HB3' HG21 ' A' ' 21' ' ' VAL . 15.4 m95 -94.21 -177.99 4.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -112.13 159.51 33.46 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.651 0.739 . . . . 0.0 110.878 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -41.37 4.39 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.695 2.263 . . . . 0.0 112.363 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.41 ' HG3' ' CD ' ' A' ' 19' ' ' GLU . 9.4 pt-20 -64.86 -45.98 83.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.41 ' CD ' ' HG3' ' A' ' 18' ' ' GLU . 1.7 mp0 -65.62 128.68 36.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.0 m -75.08 106.75 6.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.102 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.449 HG21 ' HB3' ' A' ' 15' ' ' TRP . 64.6 t -114.86 135.18 55.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.472 HG21 HD13 ' A' ' 72' ' ' LEU . 10.7 m -116.99 168.43 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.444 HD12 ' N ' ' A' ' 23' ' ' ILE . 3.4 mp -131.5 145.3 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.62 128.45 35.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.082 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.651 HD21 HG11 ' A' ' 73' ' ' VAL . 8.7 mt -77.04 -40.8 45.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -130.24 162.25 29.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -77.58 113.7 15.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.872 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -99.33 133.89 42.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -126.8 153.68 45.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.7 t -151.51 151.4 31.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.093 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -86.82 -29.04 22.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -82.37 143.86 48.91 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.604 0.716 . . . . 0.0 110.852 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -43.18 2.81 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.667 2.245 . . . . 0.0 112.343 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -44.43 -44.15 8.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.961 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.9 mp0 -85.65 136.41 33.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.473 ' O ' HG12 ' A' ' 67' ' ' VAL . 9.2 tp -95.59 145.41 25.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -92.73 104.05 16.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.12 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.525 ' HG ' HG11 ' A' ' 67' ' ' VAL . 83.7 mt -58.47 171.44 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.33 136.65 45.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 30.6 ttt-85 -60.96 129.92 43.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 61.73 52.66 3.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -145.37 130.16 18.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.44 ' HB3' ' CG1' ' A' ' 21' ' ' VAL . 4.3 mp0 -78.38 162.39 26.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.404 ' CD1' ' O ' ' A' ' 43' ' ' GLU . 71.2 m-85 -152.45 127.71 9.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 4.9 m -73.64 121.38 20.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.831 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.471 ' HA ' HG12 ' A' ' 57' ' ' VAL . 35.4 tp -69.38 122.48 19.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.932 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.41 HD12 ' HG2' ' A' ' 56' ' ' ARG . 93.6 mt -91.15 -52.52 4.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.915 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -168.14 120.49 0.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 50' ' ' SER . 2.0 m -86.03 36.08 0.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 49' ' ' SER . 54.5 m -36.32 -45.14 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -100.3 165.42 11.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.3 mp -83.4 -70.93 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -62.24 -42.57 99.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.2 m95 -96.7 118.75 33.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -113.64 138.69 49.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.41 ' HG2' HD12 ' A' ' 47' ' ' LEU . 19.1 ttp180 -86.27 122.78 30.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.471 HG12 ' HA ' ' A' ' 46' ' ' LEU . 17.5 m -142.99 164.61 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -126.36 141.39 51.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -75.49 171.33 14.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 32.9 ttt85 -67.34 -36.52 81.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.888 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -71.68 -52.4 18.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 149.13 36.17 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.504 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -118.52 111.22 18.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.753 0.311 . . . . 0.0 110.86 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.13 174.94 5.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 160.96 -168.17 36.21 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -98.45 112.98 24.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.96 0.409 . . . . 0.0 110.881 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.525 HG11 ' HG ' ' A' ' 38' ' ' LEU . 12.7 m -121.5 153.76 59.31 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.647 0.737 . . . . 0.0 111.108 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 105.32 1.46 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.698 2.265 . . . . 0.0 112.359 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 72' ' ' LEU . 91.2 p -38.67 -46.28 1.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 69' ' ' SER . 60.9 p -35.75 -50.71 0.65 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -62.76 -40.52 97.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.916 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 69' ' ' SER . 84.3 mt -71.83 143.59 49.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.956 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.651 HG11 HD21 ' A' ' 25' ' ' LEU . 10.5 m -132.18 141.18 46.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.175 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -72.1 104.21 3.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 13.4 ttpt -38.92 117.08 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 33.3 t -118.68 142.98 32.6 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.675 0.75 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -7.47 21.13 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.379 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -52.84 161.35 0.77 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 59.71 43.5 15.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.407 ' C ' HD12 ' A' ' 80' ' ' LEU . 4.5 pp -97.07 154.91 17.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 65.82 40.05 4.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.3 m -103.07 25.81 8.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.186 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -109.72 89.71 3.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.83 43.25 0.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.864 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 40.0 t90 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.997 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.5 t -101.61 138.94 37.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.846 0.355 . . . . 0.0 110.874 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.9 p -45.03 130.58 7.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.67 -127.19 1.86 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.517 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.2 m -41.16 145.02 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.856 0.36 . . . . 0.0 110.863 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -120.01 107.85 13.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.46 66.14 0.23 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.509 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.416 ' O ' ' CG ' ' A' ' 9' ' ' ASP . 7.5 mp0 -121.97 81.92 1.89 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.814 0.34 . . . . 0.0 110.859 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.416 ' CG ' ' O ' ' A' ' 8' ' ' GLU . 3.5 m-20 -162.17 157.22 22.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.434 ' C ' ' HD3' ' A' ' 11' ' ' ARG . 11.0 m120 -115.27 172.34 7.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.526 HH11 ' N ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -118.88 146.66 44.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.0 mtt-85 -77.42 143.92 69.45 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.577 0.703 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 147.1 62.05 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.691 2.26 . . . . 0.0 112.326 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.2 mp -81.84 -65.29 1.03 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.929 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -99.95 -176.18 3.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -75.68 144.45 76.96 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.632 0.729 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -47.52 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.717 2.278 . . . . 0.0 112.321 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -64.92 -43.48 92.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -60.86 150.15 33.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.4 m -91.29 116.78 29.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.198 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.8 t -101.4 135.48 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.8 m -129.37 153.87 39.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.111 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.616 HD11 ' HD3' ' A' ' 75' ' ' LYS . 17.2 mt -122.96 144.36 32.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.077 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.46 132.27 33.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.091 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.485 HD21 HG11 ' A' ' 73' ' ' VAL . 14.5 mt -79.47 -32.29 42.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.559 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 0.7 OUTLIER -133.07 156.88 46.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -76.9 95.31 4.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.821 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -80.87 144.55 31.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -131.23 153.13 49.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.931 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.1 t -168.07 144.08 3.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -115.08 40.44 2.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -132.57 147.3 65.03 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.587 0.708 . . . . 0.0 110.867 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -33.24 17.05 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.652 2.234 . . . . 0.0 112.348 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -70.7 -25.55 63.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -113.43 151.49 31.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.582 HD22 ' HA ' ' A' ' 64' ' ' GLU . 9.9 tp -118.43 149.91 40.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.419 ' N ' ' HG ' ' A' ' 36' ' ' LEU . . . -95.47 128.7 42.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 42.7 mt -96.09 167.1 11.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.442 ' HB3' ' CG ' ' A' ' 42' ' ' GLU . 11.2 ttp180 -122.51 150.8 42.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.2 ttp180 -72.14 124.98 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 41' ' ' ASN . 1.0 OUTLIER 66.93 46.37 1.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.908 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.442 ' CG ' ' HB3' ' A' ' 39' ' ' ARG . 26.2 mm-40 -132.05 133.37 44.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.404 ' C ' ' CD1' ' A' ' 44' ' ' TYR . 36.5 mt-10 -83.0 155.14 24.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.404 ' CD1' ' C ' ' A' ' 43' ' ' GLU . 62.1 m-85 -148.91 144.67 27.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.943 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 49.7 t -89.88 124.57 34.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 26.1 tp -75.63 118.48 18.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.459 HD11 ' HB2' ' A' ' 58' ' ' GLN . 50.3 mt -82.87 -56.03 4.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.941 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -145.63 143.18 29.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 98.3 p -115.03 36.37 3.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.1 t -48.17 -55.17 11.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.82 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -88.55 171.7 9.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 27.9 mt -101.03 -55.5 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.143 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -70.66 -32.83 70.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -113.7 125.72 54.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 15.3 m0 -119.68 143.27 47.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 40.7 ttt180 -97.19 105.92 18.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.495 HG11 ' CD1' ' A' ' 72' ' ' LEU . 11.9 m -119.98 167.4 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.459 ' HB2' HD11 ' A' ' 47' ' ' LEU . 31.3 tt0 -123.74 141.09 52.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -83.5 163.91 20.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -60.18 -28.03 67.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -77.69 -48.31 17.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 139.8 34.7 0.14 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.522 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -121.34 129.74 53.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.728 0.299 . . . . 0.0 110.845 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.582 ' HA ' HD22 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -127.49 179.27 5.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 161.3 -175.65 37.9 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -90.79 105.06 17.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.956 0.407 . . . . 0.0 110.887 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.0 m -112.8 153.26 45.18 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.651 0.739 . . . . 0.0 111.13 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 106.5 1.68 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.616 2.21 . . . . 0.0 112.336 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.2 p -39.24 -35.09 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.832 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 61.3 m -44.36 -45.8 9.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.559 ' CE2' ' HB2' ' A' ' 26' ' ' TYR . 3.3 m-85 -69.98 -42.67 72.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.972 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.495 ' CD1' HG11 ' A' ' 57' ' ' VAL . 65.9 mt -70.48 141.27 52.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.485 HG11 HD21 ' A' ' 25' ' ' LEU . 1.9 m -138.45 132.18 41.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.133 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -65.77 108.77 2.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.616 ' HD3' HD11 ' A' ' 23' ' ' ILE . 16.2 tptp -47.77 102.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.958 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 48.6 m -58.65 144.02 80.77 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.726 0.774 . . . . 0.0 110.824 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -23.17 31.18 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.698 2.266 . . . . 0.0 112.354 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -120.44 110.6 16.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -55.79 152.09 10.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.1 mt -94.02 58.39 2.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -83.69 80.93 8.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.5 t -170.63 151.45 3.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.128 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -60.25 121.18 11.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -124.67 97.76 5.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 6.9 p-90 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.895 -179.957 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.4 m -90.96 -48.08 7.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.916 0.388 . . . . 0.0 110.837 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -78.22 94.57 4.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.94 -163.57 31.91 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.5 t -109.28 105.75 15.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.849 0.357 . . . . 0.0 110.828 -179.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.0 t -69.49 -52.54 25.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.37 -88.77 0.12 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.475 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 57.48 43.36 23.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.792 0.329 . . . . 0.0 110.868 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -97.06 167.56 10.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -104.6 154.19 20.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -121.02 38.06 4.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.469 ' CG ' ' HD2' ' A' ' 13' ' ' PRO . 33.8 ttt180 -64.82 139.77 97.87 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.62 0.724 . . . . 0.0 110.877 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 12' ' ' ARG . 53.6 Cg_endo -69.76 150.48 68.27 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.675 2.25 . . . . 0.0 112.33 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.7 mt -68.01 -51.12 50.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 8.2 m95 -83.91 -175.69 5.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -110.11 144.2 29.57 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.654 0.74 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -0.09 6.42 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.665 2.244 . . . . 0.0 112.324 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -90.54 -38.33 13.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.828 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -88.62 139.59 30.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 87.6 m -67.76 104.0 1.55 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.192 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.712 HG11 ' OE1' ' A' ' 43' ' ' GLU . 54.1 t -98.14 121.69 48.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.173 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 44' ' ' TYR . 3.6 m -116.73 146.91 20.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.41 HD11 ' HD3' ' A' ' 75' ' ' LYS . 3.8 mp -109.76 151.87 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -98.8 118.79 36.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.9 mt -64.36 -35.18 80.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.496 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 3.0 m-85 -131.73 164.94 24.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -87.27 98.4 11.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.852 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -69.38 138.43 53.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -123.22 133.5 54.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.604 HG21 ' HB3' ' A' ' 35' ' ' GLU . 9.3 t -152.62 133.24 13.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -99.66 43.0 1.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -128.81 151.03 76.61 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.567 0.699 . . . . 0.0 110.873 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 -47.23 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.648 2.232 . . . . 0.0 112.334 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -64.4 -44.86 89.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.604 ' HB3' HG21 ' A' ' 30' ' ' THR . 12.9 mp0 -73.66 140.78 46.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.413 ' HG ' ' N ' ' A' ' 37' ' ' ALA . 5.6 tp -105.51 147.07 28.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.929 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.413 ' N ' ' HG ' ' A' ' 36' ' ' LEU . . . -94.32 102.77 14.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.074 179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.74 ' HG ' HG11 ' A' ' 67' ' ' VAL . 93.7 mt -71.43 144.92 49.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -102.26 145.2 29.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.818 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -68.54 137.4 54.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 56.42 51.86 10.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -142.36 133.45 25.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.712 ' OE1' HG11 ' A' ' 21' ' ' VAL . 19.0 mt-10 -76.85 159.66 29.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.485 ' O ' HG22 ' A' ' 22' ' ' VAL . 79.0 m-85 -156.49 125.49 6.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.5 p -70.68 136.57 49.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.838 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 68.3 tp -82.81 118.38 23.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 97.1 mt -85.04 -60.88 1.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -152.34 132.74 13.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.82 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 50' ' ' SER . 95.2 p -101.99 30.31 4.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 49' ' ' SER . 24.0 p -34.83 -45.7 0.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -100.73 165.28 11.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 39.8 mt -89.72 -53.72 8.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 -72.3 -47.23 51.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.843 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 67.1 m95 -96.88 122.54 39.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 10.1 m0 -116.76 140.5 49.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -91.34 118.3 30.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.0 m -128.14 171.98 15.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -128.22 137.4 52.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.467 ' HA ' ' CD2' ' A' ' 44' ' ' TYR . 27.4 t0 -80.81 167.88 19.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.7 tpt85 -53.2 -39.55 63.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -80.15 -36.37 35.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 141.23 -7.78 2.62 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.513 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -58.87 113.01 1.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.764 0.316 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.13 166.36 14.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 167.43 -161.66 35.47 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.51 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -102.07 128.6 48.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.88 0.371 . . . . 0.0 110.94 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.74 HG11 ' HG ' ' A' ' 38' ' ' LEU . 11.2 m -141.38 153.48 66.02 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.621 0.724 . . . . 0.0 111.155 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 112.57 3.13 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.663 2.242 . . . . 0.0 112.324 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 82.7 p -43.69 -38.55 3.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.6 m -40.61 -46.73 2.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.496 ' CE2' ' HB2' ' A' ' 26' ' ' TYR . 4.7 m-85 -66.57 -41.83 87.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 83.2 mt -69.33 146.75 51.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 2.0 m -147.04 132.66 12.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.135 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -65.36 116.18 6.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.41 ' HD3' HD11 ' A' ' 23' ' ' ILE . 19.6 tptp -38.27 108.23 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 78.4 p -98.43 148.73 34.92 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.615 0.721 . . . . 0.0 110.865 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -0.35 6.78 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.725 2.283 . . . . 0.0 112.357 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -40.84 142.58 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -47.31 108.24 0.14 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.4 tp -144.93 148.42 33.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -90.9 87.94 6.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.01 5.01 47.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -53.68 167.96 0.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -131.4 100.85 5.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 56.4 m95 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.967 -179.987 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.1 t -109.92 94.14 4.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.933 0.397 . . . . 0.0 110.858 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.1 m -89.84 84.11 6.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.823 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.25 54.55 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.3 m -54.18 -50.86 66.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.851 0.358 . . . . 0.0 110.822 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.6 m -118.47 110.69 17.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.84 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.8 158.82 47.15 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.425 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -85.07 -51.88 6.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.842 0.353 . . . . 0.0 110.857 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -111.45 123.41 50.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -112.67 -49.46 2.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 31.9 mtp180 -134.03 -179.47 5.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 72.1 mtm-85 -79.96 146.6 64.07 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.669 0.747 . . . . 0.0 110.812 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 142.15 47.1 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.695 2.263 . . . . 0.0 112.358 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.0 mt -51.8 -65.86 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 5.0 m95 -59.39 178.74 0.13 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -125.91 157.39 69.33 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.653 0.739 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -41.42 4.28 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.682 2.254 . . . . 0.0 112.34 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.46 -8.71 57.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -93.47 151.87 19.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 92.8 m -91.6 112.3 24.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.152 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 90.7 t -107.49 132.01 56.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.9 m -114.38 171.47 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.447 HD11 ' HD2' ' A' ' 75' ' ' LYS . 9.9 mt -134.54 147.59 29.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.512 ' HB3' ' O ' ' A' ' 39' ' ' ARG . . . -90.43 139.97 30.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.105 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.825 HD21 HG11 ' A' ' 73' ' ' VAL . 7.2 mt -90.59 -31.0 16.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.464 ' HB2' ' CE2' ' A' ' 71' ' ' TYR . 2.8 m-85 -132.77 151.76 51.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.33 93.4 2.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.858 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -77.71 156.08 30.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -148.44 149.16 31.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.598 HG21 ' HB3' ' A' ' 35' ' ' GLU . 12.5 t -171.58 118.9 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -83.93 44.69 1.02 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.68 143.73 47.45 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.615 0.721 . . . . 0.0 110.843 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -42.2 3.67 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.681 2.254 . . . . 0.0 112.337 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -64.19 -25.61 68.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.598 ' HB3' HG21 ' A' ' 30' ' ' THR . 27.9 mt-10 -104.78 170.58 7.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.8 tp -132.94 151.75 52.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.1 103.97 15.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.533 ' HG ' HG11 ' A' ' 67' ' ' VAL . 85.4 mt -70.24 169.42 13.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.512 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 5.2 tpp85 -133.36 136.29 45.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.492 ' O ' ' ND2' ' A' ' 41' ' ' ASN . 35.0 ttt180 -62.68 147.6 49.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 40' ' ' ARG . 8.6 p30 46.61 51.86 11.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -142.57 142.86 32.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.591 ' O ' ' CD1' ' A' ' 44' ' ' TYR . 38.6 mt-10 -83.86 158.95 21.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.591 ' CD1' ' O ' ' A' ' 43' ' ' GLU . 49.4 m-85 -155.04 132.46 11.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 8.9 t -81.78 129.71 34.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 61.9 tp -82.44 115.65 21.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.495 HD11 ' HB2' ' A' ' 58' ' ' GLN . 94.9 mt -79.52 -59.1 2.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -157.01 149.71 23.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.826 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 50' ' ' SER . 87.0 p -107.62 45.35 1.01 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 49' ' ' SER . 1.8 t -35.93 -39.86 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -123.24 -179.65 4.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 54.7 mt -93.52 -57.53 4.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.16 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -67.08 -43.72 81.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -98.43 124.83 43.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 12.4 m0 -117.4 138.88 51.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.9 ttm-85 -91.78 109.31 20.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.65 HG11 ' CD1' ' A' ' 72' ' ' LEU . 30.8 m -119.8 171.35 8.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.133 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.495 ' HB2' HD11 ' A' ' 47' ' ' LEU . 35.5 tt0 -130.27 119.26 22.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.434 ' OD1' ' C ' ' A' ' 63' ' ' HIS . 0.3 OUTLIER -64.03 172.95 2.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 36.2 ptt85 -68.1 -23.99 64.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 28.4 m-20 -73.74 -36.2 65.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.72 -9.93 5.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.491 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.434 ' C ' ' OD1' ' A' ' 59' ' ' ASP . 2.3 m170 -78.39 179.27 7.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.754 0.311 . . . . 0.0 110.845 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.458 ' CB ' ' O ' ' A' ' 57' ' ' VAL . 0.7 OUTLIER -162.91 -177.58 5.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 -179.875 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 164.68 170.54 29.77 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.461 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -85.31 107.58 17.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.908 0.385 . . . . 0.0 110.941 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.533 HG11 ' HG ' ' A' ' 38' ' ' LEU . 2.2 m -115.26 156.01 46.15 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.586 0.708 . . . . 0.0 111.172 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.515 ' HG2' ' CD1' ' A' ' 71' ' ' TYR . 53.6 Cg_endo -69.82 108.98 2.21 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.712 2.275 . . . . 0.0 112.315 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 64.4 p -42.72 -25.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.5 m -54.27 -43.62 71.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.515 ' CD1' ' HG2' ' A' ' 68' ' ' PRO . 5.4 m-85 -68.37 -45.43 72.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.65 ' CD1' HG11 ' A' ' 57' ' ' VAL . 93.2 mt -72.57 138.87 47.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.908 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.825 HG11 HD21 ' A' ' 25' ' ' LEU . 2.1 m -134.69 131.88 53.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -61.15 107.01 0.67 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.447 ' HD2' HD11 ' A' ' 23' ' ' ILE . 28.3 tttp -47.08 107.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.495 ' N ' ' HD2' ' A' ' 77' ' ' PRO . 1.0 OUTLIER -66.36 -60.25 7.06 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.664 0.745 . . . . 0.0 110.851 -179.883 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 76' ' ' SER . 53.7 Cg_endo -69.75 125.72 12.48 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.676 2.25 . . . . 0.0 112.308 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 26.0 t30 -133.44 133.04 41.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.5 t-20 -47.12 110.48 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 66.7 mt -75.83 93.4 3.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -126.91 93.07 3.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.4 t -69.34 162.69 26.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.112 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -137.76 170.71 15.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.977 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -161.88 117.51 2.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . . . . . . . . . 9.7 t-105 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.995 . . . . . . . . 0 0 . 1 stop_ save_